Daily Papers

Expectation maximization (EM) algorithm is to find maximum likelihood solution for models having latent variables. A typical example is Gaussian Mixture Model (GMM) which requires Gaussian assumption, however, natural images are highly non-Gaussian so that GMM cannot be applied to perform clustering task on pixel space. To overcome such limitation, we propose a GAN based EM learning framework that can maximize the likelihood of images and estimate the latent variables with only the constraint of L-Lipschitz continuity. We call this model GAN-EM, which is a framework for image clustering, semi-supervised classification and dimensionality reduction. In M-step, we design a novel loss function for discriminator of GAN to perform maximum likelihood estimation (MLE) on data with soft class label assignments. Specifically, a conditional generator captures data distribution for K classes, and a discriminator tells whether a sample is real or fake for each class. Since our model is unsupervised, the class label of real data is regarded as latent variable, which is estimated by an additional network (E-net) in E-step. The proposed GAN-EM achieves state-of-the-art clustering and semi-supervised classification results on MNIST, SVHN and CelebA, as well as comparable quality of generated images to other recently developed generative models.

Social networks have a vast range of applications with graphs. The available benchmark datasets are citation, co-occurrence, e-commerce networks, etc, with classes ranging from 3 to 15. However, there is no benchmark classification social network dataset for graph machine learning. This paper fills the gap and presents the Binary Classification Social Network Dataset (BiSND), designed for graph machine learning applications to predict binary classes. We present the BiSND in tabular and graph formats to verify its robustness across classical and advanced machine learning. We employ a diverse set of classifiers, including four traditional machine learning algorithms (Decision Trees, K-Nearest Neighbour, Random Forest, XGBoost), one Deep Neural Network (multi-layer perceptrons), one Graph Neural Network (Graph Convolutional Network), and three state-of-the-art Graph Contrastive Learning methods (BGRL, GRACE, DAENS). Our findings reveal that BiSND is suitable for classification tasks, with F1-scores ranging from 67.66 to 70.15, indicating promising avenues for future enhancements.

To achieve promising results on removing noise from real-world images, most of existing denoising networks are formulated with complex network structure, making them impractical for deployment. Some attempts focused on reducing the number of filters and feature channels but suffered from large performance loss, and a more practical and lightweight denoising network with fast inference speed is of high demand. To this end, a Thumbnail based Denoising Network dubbed Thunder, is proposed and implemented as a lightweight structure for fast restoration without comprising the denoising capabilities. Specifically, the Thunder model contains two newly-established modules: (1) a wavelet-based Thumbnail Subspace Encoder (TSE) which can leverage sub-bands correlation to provide an approximate thumbnail based on the low-frequent feature; (2) a Subspace Projection based Refine Module (SPR) which can restore the details for thumbnail progressively based on the subspace projection approach. Extensive experiments have been carried out on two real-world denoising benchmarks, demonstrating that the proposed Thunder outperforms the existing lightweight models and achieves competitive performance on PSNR and SSIM when compared with the complex designs.

Compared to frame-based methods, computational neuromorphic imaging using event cameras offers significant advantages, such as minimal motion blur, enhanced temporal resolution, and high dynamic range. The multi-view consistency of Neural Radiance Fields combined with the unique benefits of event cameras, has spurred recent research into reconstructing NeRF from data captured by moving event cameras. While showing impressive performance, existing methods rely on ideal conditions with the availability of uniform and high-quality event sequences and accurate camera poses, and mainly focus on the object level reconstruction, thus limiting their practical applications. In this work, we propose AE-NeRF to address the challenges of learning event-based NeRF from non-ideal conditions, including non-uniform event sequences, noisy poses, and various scales of scenes. Our method exploits the density of event streams and jointly learn a pose correction module with an event-based NeRF (e-NeRF) framework for robust 3D reconstruction from inaccurate camera poses. To generalize to larger scenes, we propose hierarchical event distillation with a proposal e-NeRF network and a vanilla e-NeRF network to resample and refine the reconstruction process. We further propose an event reconstruction loss and a temporal loss to improve the view consistency of the reconstructed scene. We established a comprehensive benchmark that includes large-scale scenes to simulate practical non-ideal conditions, incorporating both synthetic and challenging real-world event datasets. The experimental results show that our method achieves a new state-of-the-art in event-based 3D reconstruction.

Large language models (LLMs), such as ChatGPT and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs are mainly designed to process pure texts, there are many real-world scenarios where text data are associated with rich structure information in the form of graphs (e.g., academic networks, and e-commerce networks) or scenarios where graph data are paired with rich textual information (e.g., molecules with descriptions). Besides, although LLMs have shown their pure text-based reasoning ability, it is underexplored whether such ability can be generalized to graph scenarios (i.e., graph-based reasoning). In this paper, we provide a systematic review of scenarios and techniques related to large language models on graphs. We first summarize potential scenarios of adopting LLMs on graphs into three categories, namely pure graphs, text-rich graphs, and text-paired graphs. We then discuss detailed techniques for utilizing LLMs on graphs, including LLM as Predictor, LLM as Encoder, and LLM as Aligner, and compare the advantages and disadvantages of different schools of models. Furthermore, we mention the real-world applications of such methods and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future research directions in this fast-growing field. The related source can be found at https://github.com/PeterGriffinJin/Awesome-Language-Model-on-Graphs.

This paper introduces an improved duration informed attention neural network (DurIAN-E) for expressive and high-fidelity text-to-speech (TTS) synthesis. Inherited from the original DurIAN model, an auto-regressive model structure in which the alignments between the input linguistic information and the output acoustic features are inferred from a duration model is adopted. Meanwhile the proposed DurIAN-E utilizes multiple stacked SwishRNN-based Transformer blocks as linguistic encoders. Style-Adaptive Instance Normalization (SAIN) layers are exploited into frame-level encoders to improve the modeling ability of expressiveness. A denoiser incorporating both denoising diffusion probabilistic model (DDPM) for mel-spectrograms and SAIN modules is conducted to further improve the synthetic speech quality and expressiveness. Experimental results prove that the proposed expressive TTS model in this paper can achieve better performance than the state-of-the-art approaches in both subjective mean opinion score (MOS) and preference tests.

Recent studies have shown that higher accuracy on ImageNet usually leads to better robustness against different corruptions. Therefore, in this paper, instead of following the traditional research paradigm that investigates new out-of-distribution corruptions or perturbations deep models may encounter, we conduct model debugging in in-distribution data to explore which object attributes a model may be sensitive to. To achieve this goal, we create a toolkit for object editing with controls of backgrounds, sizes, positions, and directions, and create a rigorous benchmark named ImageNet-E(diting) for evaluating the image classifier robustness in terms of object attributes. With our ImageNet-E, we evaluate the performance of current deep learning models, including both convolutional neural networks and vision transformers. We find that most models are quite sensitive to attribute changes. A small change in the background can lead to an average of 9.23\% drop on top-1 accuracy. We also evaluate some robust models including both adversarially trained models and other robust trained models and find that some models show worse robustness against attribute changes than vanilla models. Based on these findings, we discover ways to enhance attribute robustness with preprocessing, architecture designs, and training strategies. We hope this work can provide some insights to the community and open up a new avenue for research in robust computer vision. The code and dataset are available at https://github.com/alibaba/easyrobust.

We are witnessing rapid progress in automatically generating and manipulating 3D assets due to the availability of pretrained text-image diffusion models. However, time-consuming optimization procedures are required for synthesizing each sample, hindering their potential for democratizing 3D content creation. Conversely, 3D diffusion models now train on million-scale 3D datasets, yielding high-quality text-conditional 3D samples within seconds. In this work, we present Spice-E - a neural network that adds structural guidance to 3D diffusion models, extending their usage beyond text-conditional generation. At its core, our framework introduces a cross-entity attention mechanism that allows for multiple entities (in particular, paired input and guidance 3D shapes) to interact via their internal representations within the denoising network. We utilize this mechanism for learning task-specific structural priors in 3D diffusion models from auxiliary guidance shapes. We show that our approach supports a variety of applications, including 3D stylization, semantic shape editing and text-conditional abstraction-to-3D, which transforms primitive-based abstractions into highly-expressive shapes. Extensive experiments demonstrate that Spice-E achieves SOTA performance over these tasks while often being considerably faster than alternative methods. Importantly, this is accomplished without tailoring our approach for any specific task.

Multimodal Attributed Graphs (MAGs) are ubiquitous in real-world applications, encompassing extensive knowledge through multimodal attributes attached to nodes (e.g., texts and images) and topological structure representing node interactions. Despite its potential to advance diverse research fields like social networks and e-commerce, MAG representation learning (MAGRL) remains underexplored due to the lack of standardized datasets and evaluation frameworks. In this paper, we first propose MAGB, a comprehensive MAG benchmark dataset, featuring curated graphs from various domains with both textual and visual attributes. Based on MAGB dataset, we further systematically evaluate two mainstream MAGRL paradigms: GNN-as-Predictor, which integrates multimodal attributes via Graph Neural Networks (GNNs), and VLM-as-Predictor, which harnesses Vision Language Models (VLMs) for zero-shot reasoning. Extensive experiments on MAGB reveal following critical insights: (i) Modality significances fluctuate drastically with specific domain characteristics. (ii) Multimodal embeddings can elevate the performance ceiling of GNNs. However, intrinsic biases among modalities may impede effective training, particularly in low-data scenarios. (iii) VLMs are highly effective at generating multimodal embeddings that alleviate the imbalance between textual and visual attributes. These discoveries, which illuminate the synergy between multimodal attributes and graph topologies, contribute to reliable benchmarks, paving the way for future MAG research. The MAGB dataset and evaluation pipeline are publicly available at https://github.com/sktsherlock/MAGB.

Online updating of time series forecasting models aims to address the concept drifting problem by efficiently updating forecasting models based on streaming data. Many algorithms are designed for online time series forecasting, with some exploiting cross-variable dependency while others assume independence among variables. Given every data assumption has its own pros and cons in online time series modeling, we propose Online ensembling Network (OneNet). It dynamically updates and combines two models, with one focusing on modeling the dependency across the time dimension and the other on cross-variate dependency. Our method incorporates a reinforcement learning-based approach into the traditional online convex programming framework, allowing for the linear combination of the two models with dynamically adjusted weights. OneNet addresses the main shortcoming of classical online learning methods that tend to be slow in adapting to the concept drift. Empirical results show that OneNet reduces online forecasting error by more than 50% compared to the State-Of-The-Art (SOTA) method. The code is available at https://github.com/yfzhang114/OneNet.

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does not require computationally expensive higher-order representations in intermediate layers while it still achieves competitive or better performance. In addition, whereas existing methods are limited to equivariance on 3 dimensional spaces, our model is easily scaled to higher-dimensional spaces. We demonstrate the effectiveness of our method on dynamical systems modelling, representation learning in graph autoencoders and predicting molecular properties.

This paper proposes an improved version of DurIAN-E (DurIAN-E 2), which is also a duration informed attention neural network for expressive and high-fidelity text-to-speech (TTS) synthesis. Similar with the DurIAN-E model, multiple stacked SwishRNN-based Transformer blocks are utilized as linguistic encoders and Style-Adaptive Instance Normalization (SAIN) layers are also exploited into frame-level encoders to improve the modeling ability of expressiveness in the proposed the DurIAN-E 2. Meanwhile, motivated by other TTS models using generative models such as VITS, the proposed DurIAN-E 2 utilizes variational autoencoders (VAEs) augmented with normalizing flows and a BigVGAN waveform generator with adversarial training strategy, which further improve the synthesized speech quality and expressiveness. Both objective test and subjective evaluation results prove that the proposed expressive TTS model DurIAN-E 2 can achieve better performance than several state-of-the-art approaches besides DurIAN-E.

Integrating a notion of symmetry into point cloud neural networks is a provably effective way to improve their generalization capability. Of particular interest are E(3) equivariant point cloud networks where Euclidean transformations applied to the inputs are preserved in the outputs. Recent efforts aim to extend networks that are E(3) equivariant, to accommodate inputs made of multiple parts, each of which exhibits local E(3) symmetry. In practical settings, however, the partitioning into individually transforming regions is unknown a priori. Errors in the partition prediction would unavoidably map to errors in respecting the true input symmetry. Past works have proposed different ways to predict the partition, which may exhibit uncontrolled errors in their ability to maintain equivariance to the actual partition. To this end, we introduce APEN: a general framework for constructing approximate piecewise-E(3) equivariant point networks. Our primary insight is that functions that are equivariant with respect to a finer partition will also maintain equivariance in relation to the true partition. Leveraging this observation, we propose a design where the equivariance approximation error at each layers can be bounded solely in terms of (i) uncertainty quantification of the partition prediction, and (ii) bounds on the probability of failing to suggest a proper subpartition of the ground truth one. We demonstrate the effectiveness of APEN using two data types exemplifying part-based symmetry: (i) real-world scans of room scenes containing multiple furniture-type objects; and, (ii) human motions, characterized by articulated parts exhibiting rigid movement. Our empirical results demonstrate the advantage of integrating piecewise E(3) symmetry into network design, showing a distinct improvement in generalization compared to prior works for both classification and segmentation tasks.

Understanding customer sentiments is of paramount importance in marketing strategies today. Not only will it give companies an insight as to how customers perceive their products and/or services, but it will also give them an idea on how to improve their offers. This paper attempts to understand the correlation of different variables in customer reviews on a women clothing e-commerce, and to classify each review whether it recommends the reviewed product or not and whether it consists of positive, negative, or neutral sentiment. To achieve these goals, we employed univariate and multivariate analyses on dataset features except for review titles and review texts, and we implemented a bidirectional recurrent neural network (RNN) with long-short term memory unit (LSTM) for recommendation and sentiment classification. Results have shown that a recommendation is a strong indicator of a positive sentiment score, and vice-versa. On the other hand, ratings in product reviews are fuzzy indicators of sentiment scores. We also found out that the bidirectional LSTM was able to reach an F1-score of 0.88 for recommendation classification, and 0.93 for sentiment classification.

In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

When a large feedforward neural network is trained on a small training set, it typically performs poorly on held-out test data. This "overfitting" is greatly reduced by randomly omitting half of the feature detectors on each training case. This prevents complex co-adaptations in which a feature detector is only helpful in the context of several other specific feature detectors. Instead, each neuron learns to detect a feature that is generally helpful for producing the correct answer given the combinatorially large variety of internal contexts in which it must operate. Random "dropout" gives big improvements on many benchmark tasks and sets new records for speech and object recognition.

This paper describes a method for learning low-dimensional approximations of nonlinear dynamical systems, based on neural-network approximations of the underlying Koopman operator. Extended Dynamic Mode Decomposition (EDMD) provides a useful data-driven approximation of the Koopman operator for analyzing dynamical systems. This paper addresses a fundamental problem associated with EDMD: a trade-off between representational capacity of the dictionary and over-fitting due to insufficient data. A new neural network architecture combining an autoencoder with linear recurrent dynamics in the encoded state is used to learn a low-dimensional and highly informative Koopman-invariant subspace of observables. A method is also presented for balanced model reduction of over-specified EDMD systems in feature space. Nonlinear reconstruction using partially linear multi-kernel regression aims to improve reconstruction accuracy from the low-dimensional state when the data has complex but intrinsically low-dimensional structure. The techniques demonstrate the ability to identify Koopman eigenfunctions of the unforced Duffing equation, create accurate low-dimensional models of an unstable cylinder wake flow, and make short-time predictions of the chaotic Kuramoto-Sivashinsky equation.

Accurate prediction of protein-ligand binding affinities is crucial in drug discovery, particularly during hit-to-lead and lead optimization phases, however, limitations in ligand force fields continue to impact prediction accuracy. In this work, we validate relative binding free energy (RBFE) accuracy using neural network potentials (NNPs) for the ligands. We utilize a novel NNP model, AceForce 1.0, based on the TensorNet architecture for small molecules that broadens the applicability to diverse drug-like compounds, including all important chemical elements and supporting charged molecules. Using established benchmarks, we show overall improved accuracy and correlation in binding affinity predictions compared with GAFF2 for molecular mechanics and ANI2-x for NNPs. Slightly less accuracy but comparable correlations with OPLS4. We also show that we can run the NNP simulations at 2 fs timestep, at least two times larger than previous NNP models, providing significant speed gains. The results show promise for further evolutions of free energy calculations using NNPs while demonstrating its practical use already with the current generation. The code and NNP model are publicly available for research use.

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially graph data. Traditional GNNs often face challenges in capturing information from distant vertices effectively. In contrast, Graph Transformer models are particularly adept at managing long-distance node relationships. Despite these advantages, Graph Transformer models still encounter issues with computational and storage efficiency when scaled to large graph datasets. To address these challenges, we propose an innovative Graph Neural Network (GNN) architecture that integrates a Top-m attention mechanism aggregation component and a neighborhood aggregation component, effectively enhancing the model's ability to aggregate relevant information from both local and extended neighborhoods at each layer. This method not only improves computational efficiency but also enriches the node features, facilitating a deeper analysis of complex graph structures. Additionally, to assess the effectiveness of our proposed model, we have applied it to citation sentiment prediction, a novel task previously unexplored in the GNN field. Accordingly, we constructed a dedicated citation network, ArXivNet. In this dataset, we specifically annotated the sentiment polarity of the citations (positive, neutral, negative) to enable in-depth sentiment analysis. Our approach has shown superior performance across a variety of tasks including vertex classification, link prediction, sentiment prediction, graph regression, and visualization. It outperforms existing methods in terms of effectiveness, as demonstrated by experimental results on multiple datasets.

Training deep neural networks (DNNs) using traditional backpropagation (BP) presents challenges in terms of computational complexity and energy consumption, particularly for on-device learning where computational resources are limited. Various alternatives to BP, including random feedback alignment, forward-forward, and local classifiers, have been explored to address these challenges. These methods have their advantages, but they can encounter difficulties when dealing with intricate visual tasks or demand considerable computational resources. In this paper, we propose a novel Local Learning rule inspired by neural activity Synchronization phenomena (LLS) observed in the brain. LLS utilizes fixed periodic basis vectors to synchronize neuron activity within each layer, enabling efficient training without the need for additional trainable parameters. We demonstrate the effectiveness of LLS and its variations, LLS-M and LLS-MxM, on multiple image classification datasets, achieving accuracy comparable to BP with reduced computational complexity and minimal additional parameters. Furthermore, the performance of LLS on the Visual Wake Word (VWW) dataset highlights its suitability for on-device learning tasks, making it a promising candidate for edge hardware implementations.

In this paper, we introduce data multiplexing (DataMUX), a technique that enables deep neural networks to process multiple inputs simultaneously using a single compact representation. DataMUX demonstrates that neural networks are capable of generating accurate predictions over mixtures of inputs, resulting in increased throughput with minimal extra memory requirements. Our approach uses two key components -- 1) a multiplexing layer that performs a fixed linear transformation to each input before combining them to create a mixed representation of the same size as a single input, which is then processed by the base network, and 2) a demultiplexing layer that converts the base network's output back into independent representations before producing predictions for each input. We show the viability of DataMUX for different architectures (Transformers, and to a lesser extent MLPs and CNNs) across six different tasks spanning sentence classification, named entity recognition and image classification. For instance, DataMUX for Transformers can multiplex up to 20x/40x inputs, achieving 11x/18x increase in throughput with minimal absolute performance drops of <2% and <4% respectively on MNLI, a natural language inference task. We also provide a theoretical construction for multiplexing in self-attention networks and analyze the effect of various design elements in DataMUX.

Automated scoring engines are increasingly being used to score the free-form text responses that students give to questions. Such engines are not designed to appropriately deal with responses that a human reader would find alarming such as those that indicate an intention to self-harm or harm others, responses that allude to drug abuse or sexual abuse or any response that would elicit concern for the student writing the response. Our neural network models have been designed to help identify these anomalous responses from a large collection of typical responses that students give. The responses identified by the neural network can be assessed for urgency, severity, and validity more quickly by a team of reviewers than otherwise possible. Given the anomalous nature of these types of responses, our goal is to maximize the chance of flagging these responses for review given the constraint that only a fixed percentage of responses can viably be assessed by a team of reviewers.

Despite their increasing popularity and success in a variety of supervised learning problems, deep neural networks are extremely hard to interpret and debug: Given and already trained Deep Neural Net, and a set of test inputs, how can we gain insight into how those inputs interact with different layers of the neural network? Furthermore, can we characterize a given deep neural network based on it's observed behavior on different inputs? In this paper we propose a novel factorization based approach on understanding how different deep neural networks operate. In our preliminary results, we identify fascinating patterns that link the factorization rank (typically used as a measure of interestingness in unsupervised data analysis) with how well or poorly the deep network has been trained. Finally, our proposed approach can help provide visual insights on how high-level. interpretable patterns of the network's input behave inside the hidden layers of the deep network.

Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous models still lacks a solid mathematical foundation. In this article, we take a step in this direction by establishing an implicit regularization of deep residual networks towards neural ODEs, for nonlinear networks trained with gradient flow. We prove that if the network is initialized as a discretization of a neural ODE, then such a discretization holds throughout training. Our results are valid for a finite training time, and also as the training time tends to infinity provided that the network satisfies a Polyak-Lojasiewicz condition. Importantly, this condition holds for a family of residual networks where the residuals are two-layer perceptrons with an overparameterization in width that is only linear, and implies the convergence of gradient flow to a global minimum. Numerical experiments illustrate our results.

How might one test the hypothesis that networks were sampled from the same distribution? Here, we compare two statistical tests that use subgraph counts to address this question. The first uses the empirical subgraph densities themselves as estimates of those of the underlying distribution. The second test uses a new approach that converts these subgraph densities into estimates of the graph cumulants of the distribution (without any increase in computational complexity). We demonstrate -- via theory, simulation, and application to real data -- the superior statistical power of using graph cumulants. In summary, when analyzing data using subgraph/motif densities, we suggest using the corresponding graph cumulants instead.

We introduce a novel meme generation system, which given any image can produce a humorous and relevant caption. Furthermore, the system can be conditioned on not only an image but also a user-defined label relating to the meme template, giving a handle to the user on meme content. The system uses a pretrained Inception-v3 network to return an image embedding which is passed to an attention-based deep-layer LSTM model producing the caption - inspired by the widely recognised Show and Tell Model. We implement a modified beam search to encourage diversity in the captions. We evaluate the quality of our model using perplexity and human assessment on both the quality of memes generated and whether they can be differentiated from real ones. Our model produces original memes that cannot on the whole be differentiated from real ones.

Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents substantial advancements in the TorchMD-Net software, a pivotal step forward in the shift from conventional force fields to neural network-based potentials. The evolution of TorchMD-Net into a more comprehensive and versatile framework is highlighted, incorporating cutting-edge architectures such as TensorNet. This transformation is achieved through a modular design approach, encouraging customized applications within the scientific community. The most notable enhancement is a significant improvement in computational efficiency, achieving a very remarkable acceleration in the computation of energy and forces for TensorNet models, with performance gains ranging from 2-fold to 10-fold over previous iterations. Other enhancements include highly optimized neighbor search algorithms that support periodic boundary conditions and the smooth integration with existing molecular dynamics frameworks. Additionally, the updated version introduces the capability to integrate physical priors, further enriching its application spectrum and utility in research. The software is available at https://github.com/torchmd/torchmd-net.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Recent hardware developments have dramatically increased the scale of data parallelism available for neural network training. Among the simplest ways to harness next-generation hardware is to increase the batch size in standard mini-batch neural network training algorithms. In this work, we aim to experimentally characterize the effects of increasing the batch size on training time, as measured by the number of steps necessary to reach a goal out-of-sample error. We study how this relationship varies with the training algorithm, model, and data set, and find extremely large variation between workloads. Along the way, we show that disagreements in the literature on how batch size affects model quality can largely be explained by differences in metaparameter tuning and compute budgets at different batch sizes. We find no evidence that larger batch sizes degrade out-of-sample performance. Finally, we discuss the implications of our results on efforts to train neural networks much faster in the future. Our experimental data is publicly available as a database of 71,638,836 loss measurements taken over the course of training for 168,160 individual models across 35 workloads.

While deeper convolutional networks are needed to achieve maximum accuracy in visual perception tasks, for many inputs shallower networks are sufficient. We exploit this observation by learning to skip convolutional layers on a per-input basis. We introduce SkipNet, a modified residual network, that uses a gating network to selectively skip convolutional blocks based on the activations of the previous layer. We formulate the dynamic skipping problem in the context of sequential decision making and propose a hybrid learning algorithm that combines supervised learning and reinforcement learning to address the challenges of non-differentiable skipping decisions. We show SkipNet reduces computation by 30-90% while preserving the accuracy of the original model on four benchmark datasets and outperforms the state-of-the-art dynamic networks and static compression methods. We also qualitatively evaluate the gating policy to reveal a relationship between image scale and saliency and the number of layers skipped.

Explaining node predictions in graph neural networks (GNNs) often boils down to finding graph substructures that preserve predictions. Finding these structures usually implies back-propagating through the GNN, bonding the complexity (e.g., number of layers) of the GNN to the cost of explaining it. This naturally begs the question: Can we break this bond by explaining a simpler surrogate GNN? To answer the question, we propose Distill n' Explain (DnX). First, DnX learns a surrogate GNN via knowledge distillation. Then, DnX extracts node or edge-level explanations by solving a simple convex program. We also propose FastDnX, a faster version of DnX that leverages the linear decomposition of our surrogate model. Experiments show that DnX and FastDnX often outperform state-of-the-art GNN explainers while being orders of magnitude faster. Additionally, we support our empirical findings with theoretical results linking the quality of the surrogate model (i.e., distillation error) to the faithfulness of explanations.

The use of convolutional neural networks (CNNs) has accelerated the progress of handwritten character classification/recognition. Handwritten character recognition (HCR) has found applications in various domains, such as traffic signal detection, language translation, and document information extraction. However, the widespread use of existing HCR technology is yet to be seen as it does not provide reliable character recognition with outstanding accuracy. One of the reasons for unreliable HCR is that existing HCR methods do not take the handwriting styles of non-native writers into account. Hence, further improvement is needed to ensure the reliability and extensive deployment of character recognition technologies for critical tasks. In this work, the classification of English characters written by non-native users is performed by proposing a custom-tailored CNN model. We train this CNN with a new dataset called the handwritten isolated English character (HIEC) dataset. This dataset consists of 16,496 images collected from 260 persons. This paper also includes an ablation study of our CNN by adjusting hyperparameters to identify the best model for the HIEC dataset. The proposed model with five convolutional layers and one hidden layer outperforms state-of-the-art models in terms of character recognition accuracy and achieves an accuracy of 97.04%. Compared with the second-best model, the relative improvement of our model in terms of classification accuracy is 4.38%.

Analyzing the ever-increasing volume of posts on social media sites such as Facebook and Twitter requires improved information processing methods for profiling authorship. Document classification is central to this task, but the performance of traditional supervised classifiers has degraded as the volume of social media has increased. This paper addresses this problem in the context of gender detection through ensemble classification that employs multi-model deep learning architectures to generate specialized understanding from different feature spaces.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at https://github.com/IBM/EvolveGCN.

Anti-money laundering (AML) regulations play a critical role in safeguarding financial systems, but bear high costs for institutions and drive financial exclusion for those on the socioeconomic and international margins. The advent of cryptocurrency has introduced an intriguing paradox: pseudonymity allows criminals to hide in plain sight, but open data gives more power to investigators and enables the crowdsourcing of forensic analysis. Meanwhile advances in learning algorithms show great promise for the AML toolkit. In this workshop tutorial, we motivate the opportunity to reconcile the cause of safety with that of financial inclusion. We contribute the Elliptic Data Set, a time series graph of over 200K Bitcoin transactions (nodes), 234K directed payment flows (edges), and 166 node features, including ones based on non-public data; to our knowledge, this is the largest labelled transaction data set publicly available in any cryptocurrency. We share results from a binary classification task predicting illicit transactions using variations of Logistic Regression (LR), Random Forest (RF), Multilayer Perceptrons (MLP), and Graph Convolutional Networks (GCN), with GCN being of special interest as an emergent new method for capturing relational information. The results show the superiority of Random Forest (RF), but also invite algorithmic work to combine the respective powers of RF and graph methods. Lastly, we consider visualization for analysis and explainability, which is difficult given the size and dynamism of real-world transaction graphs, and we offer a simple prototype capable of navigating the graph and observing model performance on illicit activity over time. With this tutorial and data set, we hope to a) invite feedback in support of our ongoing inquiry, and b) inspire others to work on this societally important challenge.

Recurrent Neural Network (RNN) inference exhibits low hardware utilization due to the strict data dependencies across time-steps. Batching multiple requests can increase throughput. However, RNN batching requires a large amount of padding since the batched input sequences may largely differ in length. Schemes that dynamically update the batch every few time-steps avoid padding. However, they require executing different RNN layers in a short timespan, decreasing energy efficiency. Hence, we propose E-BATCH, a low-latency and energy-efficient batching scheme tailored to RNN accelerators. It consists of a runtime system and effective hardware support. The runtime concatenates multiple sequences to create large batches, resulting in substantial energy savings. Furthermore, the accelerator notifies it when the evaluation of a sequence is done, so that a new sequence can be immediately added to a batch, thus largely reducing the amount of padding. E-BATCH dynamically controls the number of time-steps evaluated per batch to achieve the best trade-off between latency and energy efficiency for the given hardware platform. We evaluate E-BATCH on top of E-PUR and TPU. In E-PUR, E-BATCH improves throughput by 1.8x and energy-efficiency by 3.6x, whereas in TPU, it improves throughput by 2.1x and energy-efficiency by 1.6x, over the state-of-the-art.

Text-driven video editing has recently experienced rapid development. Despite this, evaluating edited videos remains a considerable challenge. Current metrics tend to fail to align with human perceptions, and effective quantitative metrics for video editing are still notably absent. To address this, we introduce E-Bench, a benchmark suite tailored to the assessment of text-driven video editing. This suite includes E-Bench DB, a video quality assessment (VQA) database for video editing. E-Bench DB encompasses a diverse set of source videos featuring various motions and subjects, along with multiple distinct editing prompts, editing results from 8 different models, and the corresponding Mean Opinion Scores (MOS) from 24 human annotators. Based on E-Bench DB, we further propose E-Bench QA, a quantitative human-aligned measurement for the text-driven video editing task. In addition to the aesthetic, distortion, and other visual quality indicators that traditional VQA methods emphasize, E-Bench QA focuses on the text-video alignment and the relevance modeling between source and edited videos. It proposes a new assessment network for video editing that attains superior performance in alignment with human preferences. To the best of our knowledge, E-Bench introduces the first quality assessment dataset for video editing and an effective subjective-aligned quantitative metric for this domain. All data and code will be publicly available at https://github.com/littlespray/E-Bench.

Learning for robot navigation presents a critical and challenging task. The scarcity and costliness of real-world datasets necessitate efficient learning approaches. In this letter, we exploit Euclidean symmetry in planning for 2D navigation, which originates from Euclidean transformations between reference frames and enables parameter sharing. To address the challenges of unstructured environments, we formulate the navigation problem as planning on a geometric graph and develop an equivariant message passing network to perform value iteration. Furthermore, to handle multi-camera input, we propose a learnable equivariant layer to lift features to a desired space. We conduct comprehensive evaluations across five diverse tasks encompassing structured and unstructured environments, along with maps of known and unknown, given point goals or semantic goals. Our experiments confirm the substantial benefits on training efficiency, stability, and generalization.

Recent advancements in text-to-speech (TTS) powered by language models have showcased remarkable capabilities in achieving naturalness and zero-shot voice cloning. Notably, the decoder-only transformer is the prominent architecture in this domain. However, transformers face challenges stemming from their quadratic complexity in sequence length, impeding training on lengthy sequences and resource-constrained hardware. Moreover they lack specific inductive bias with regards to the monotonic nature of TTS alignments. In response, we propose to replace transformers with emerging recurrent architectures and introduce specialized cross-attention mechanisms for reducing repeating and skipping issues. Consequently our architecture can be efficiently trained on long samples and achieve state-of-the-art zero-shot voice cloning against baselines of comparable size. Our implementation and demos are available at https://github.com/theodorblackbird/lina-speech.

In a fashion e-commerce platform where customers can't physically examine the products on their own, being able to see other customers' text and image reviews of the product is critical while making purchase decisions. Given the high reliance on these reviews, over the years we have observed customers proactively sharing their reviews. With an increase in the coverage of User Generated Content (UGC), there has been a corresponding increase in the number of customer images. It is thus imperative to display the most relevant images on top as it may influence users' online shopping choices and behavior. In this paper, we propose a simple yet effective training procedure for ranking customer images. We created a dataset consisting of Myntra (A Major Indian Fashion e-commerce company) studio posts and highly engaged (upvotes/downvotes) UGC images as our starting point and used selected distortion techniques on the images of the above dataset to bring their quality at par with those of bad UGC images. We train our network to rank bad-quality images lower than high-quality ones. Our proposed method outperforms the baseline models on two metrics, namely correlation coefficient, and accuracy, by substantial margins.

Recent advances in text-to-image synthesis have led to large pretrained transformers with excellent capabilities to generate visualizations from a given text. However, these models are ill-suited for specialized tasks like story visualization, which requires an agent to produce a sequence of images given a corresponding sequence of captions, forming a narrative. Moreover, we find that the story visualization task fails to accommodate generalization to unseen plots and characters in new narratives. Hence, we first propose the task of story continuation, where the generated visual story is conditioned on a source image, allowing for better generalization to narratives with new characters. Then, we enhance or 'retro-fit' the pretrained text-to-image synthesis models with task-specific modules for (a) sequential image generation and (b) copying relevant elements from an initial frame. Then, we explore full-model finetuning, as well as prompt-based tuning for parameter-efficient adaptation, of the pre-trained model. We evaluate our approach StoryDALL-E on two existing datasets, PororoSV and FlintstonesSV, and introduce a new dataset DiDeMoSV collected from a video-captioning dataset. We also develop a model StoryGANc based on Generative Adversarial Networks (GAN) for story continuation, and compare it with the StoryDALL-E model to demonstrate the advantages of our approach. We show that our retro-fitting approach outperforms GAN-based models for story continuation and facilitates copying of visual elements from the source image, thereby improving continuity in the generated visual story. Finally, our analysis suggests that pretrained transformers struggle to comprehend narratives containing several characters. Overall, our work demonstrates that pretrained text-to-image synthesis models can be adapted for complex and low-resource tasks like story continuation.

In this era of information explosion, a personalized recommendation system is convenient for users to get information they are interested in. To deal with billions of users and items, large-scale online recommendation services usually consist of three stages: candidate generation, coarse-grained ranking, and fine-grained ranking. The success of each stage depends on whether the model accurately captures the interests of users, which are usually hidden in users' behavior data. Previous research shows that users' interests are diverse, and one vector is not sufficient to capture users' different preferences. Therefore, many methods use multiple vectors to encode users' interests. However, there are two unsolved problems: (1) The similarity of different vectors in existing methods is too high, with too much redundant information. Consequently, the interests of users are not fully represented. (2) Existing methods model the long-term and short-term behaviors together, ignoring the differences between them. This paper proposes a Hierarchical Multi-Interest Co-Network (HCN) to capture users' diverse interests in the coarse-grained ranking stage. Specifically, we design a hierarchical multi-interest extraction layer to update users' diverse interest centers iteratively. The multiple embedded vectors obtained in this way contain more information and represent the interests of users better in various aspects. Furthermore, we develop a Co-Interest Network to integrate users' long-term and short-term interests. Experiments on several real-world datasets and one large-scale industrial dataset show that HCN effectively outperforms the state-of-the-art methods. We deploy HCN into a large-scale real world E-commerce system and achieve extra 2.5\% improvements on GMV (Gross Merchandise Value).

Temporal networks have been widely used to model real-world complex systems such as financial systems and e-commerce systems. In a temporal network, the joint neighborhood of a set of nodes often provides crucial structural information useful for predicting whether they may interact at a certain time. However, recent representation learning methods for temporal networks often fail to extract such information or depend on online construction of structural features, which is time-consuming. To address the issue, this work proposes Neighborhood-Aware Temporal network model (NAT). For each node in the network, NAT abandons the commonly-used one-single-vector-based representation while adopting a novel dictionary-type neighborhood representation. Such a dictionary representation records a downsampled set of the neighboring nodes as keys, and allows fast construction of structural features for a joint neighborhood of multiple nodes. We also design a dedicated data structure termed N-cache to support parallel access and update of those dictionary representations on GPUs. NAT gets evaluated over seven real-world large-scale temporal networks. NAT not only outperforms all cutting-edge baselines by averaged 1.2% and 4.2% in transductive and inductive link prediction accuracy, respectively, but also keeps scalable by achieving a speed-up of 4.1-76.7x against the baselines that adopt joint structural features and achieves a speed-up of 1.6-4.0x against the baselines that cannot adopt those features. The link to the code: https: //github.com/Graph-COM/Neighborhood-Aware-Temporal-Network.

Histopathological analysis is a cornerstone of cancer diagnosis, with Hematoxylin and Eosin (H&E) staining routinely acquired for every patient to visualize cell morphology and tissue architecture. On the other hand, multiplex immunofluorescence (mIF) enables more precise cell type identification via proteomic markers, but has yet to achieve widespread clinical adoption due to cost and logistical constraints. To bridge this gap, we introduce MIPHEI (Multiplex Immunofluorescence Prediction from H&E), a U-Net-inspired architecture that integrates state-of-the-art ViT foundation models as encoders to predict mIF signals from H&E images. MIPHEI targets a comprehensive panel of markers spanning nuclear content, immune lineages (T cells, B cells, myeloid), epithelium, stroma, vasculature, and proliferation. We train our model using the publicly available ORION dataset of restained H&E and mIF images from colorectal cancer tissue, and validate it on two independent datasets. MIPHEI achieves accurate cell-type classification from H&E alone, with F1 scores of 0.88 for Pan-CK, 0.57 for CD3e, 0.56 for SMA, 0.36 for CD68, and 0.30 for CD20, substantially outperforming both a state-of-the-art baseline and a random classifier for most markers. Our results indicate that our model effectively captures the complex relationships between nuclear morphologies in their tissue context, as visible in H&E images and molecular markers defining specific cell types. MIPHEI offers a promising step toward enabling cell-type-aware analysis of large-scale H&E datasets, in view of uncovering relationships between spatial cellular organization and patient outcomes.

Ranking model plays an essential role in e-commerce search and recommendation. An effective ranking model should give a personalized ranking list for each user according to the user preference. Existing algorithms usually extract a user representation vector from the user behavior sequence, then feed the vector into a feed-forward network (FFN) together with other features for feature interactions, and finally produce a personalized ranking score. Despite tremendous progress in the past, there is still room for improvement. Firstly, the personalized patterns of feature interactions for different users are not explicitly modeled. Secondly, most of existing algorithms have poor personalized ranking results for long-tail users with few historical behaviors due to the data sparsity. To overcome the two challenges, we propose Attention Weighted Mixture of Experts (AW-MoE) with contrastive learning for personalized ranking. Firstly, AW-MoE leverages the MoE framework to capture personalized feature interactions for different users. To model the user preference, the user behavior sequence is simultaneously fed into expert networks and the gate network. Within the gate network, one gate unit and one activation unit are designed to adaptively learn the fine-grained activation vector for experts using an attention mechanism. Secondly, a random masking strategy is applied to the user behavior sequence to simulate long-tail users, and an auxiliary contrastive loss is imposed to the output of the gate network to improve the model generalization for these users. This is validated by a higher performance gain on the long-tail user test set. Experiment results on a JD real production dataset and a public dataset demonstrate the effectiveness of AW-MoE, which significantly outperforms state-of-art methods. Notably, AW-MoE has been successfully deployed in the JD e-commerce search engine, ...

We analyze the layerwise effective dimension (rank of the feature matrix) in fully-connected ReLU networks of finite width. Specifically, for a fixed batch of m inputs and random Gaussian weights, we derive closed-form expressions for the expected rank of the \mtimes n hidden activation matrices. Our main result shows that E[EDim(ell)]=m[1-(1-2/pi)^ell]+O(e^{-c m}) so that the rank deficit decays geometrically with ratio 1-2 / pi approx 0.3634. We also prove a sub-Gaussian concentration bound, and identify the "revival" depths at which the expected rank attains local maxima. In particular, these peaks occur at depths ell_k^*approx(k+1/2)pi/log(1/rho) with height approx (1-e^{-pi/2}) m approx 0.79m. We further show that this oscillatory rank behavior is a finite-width phenomenon: under orthogonal weight initialization or strong negative-slope leaky-ReLU, the rank remains (nearly) full. These results provide a precise characterization of how random ReLU layers alternately collapse and partially revive the subspace of input variations, adding nuance to prior work on expressivity of deep networks.

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

The performance of deep network learning strongly depends on the choice of the non-linear activation function associated with each neuron. However, deciding on the best activation is non-trivial, and the choice depends on the architecture, hyper-parameters, and even on the dataset. Typically these activations are fixed by hand before training. Here, we demonstrate how to eliminate the reliance on first picking fixed activation functions by using flexible parametric rational functions instead. The resulting Pad\'e Activation Units (PAUs) can both approximate common activation functions and also learn new ones while providing compact representations. Our empirical evidence shows that end-to-end learning deep networks with PAUs can increase the predictive performance. Moreover, PAUs pave the way to approximations with provable robustness. https://github.com/ml-research/pau

We implement physics-informed neural networks (PINNs) to solve the time-independent Schr\"odinger equation for three canonical one-dimensional quantum potentials: an infinite square well, a finite square well, and a finite barrier. The PINN models incorporate trial wavefunctions that exactly satisfy boundary conditions (Dirichlet zeros at domain boundaries), and they optimize a loss functional combining the PDE residual with a normalization constraint. For the infinite well, the ground-state energy is known (E = pi^2 in dimensionless units) and held fixed in training, whereas for the finite well and barrier, the eigenenergy is treated as a trainable parameter. We use fully-connected neural networks with smooth activation functions to represent the wavefunction and demonstrate that PINNs can learn the ground-state eigenfunctions and eigenvalues for these quantum systems. The results show that the PINN-predicted wavefunctions closely match analytical solutions or expected behaviors, and the learned eigenenergies converge to known values. We present training logs and convergence of the energy parameter, as well as figures comparing the PINN solutions to exact results. The discussion addresses the performance of PINNs relative to traditional numerical methods, highlighting challenges such as convergence to the correct eigenvalue, sensitivity to initialization, and the difficulty of modeling discontinuous potentials. We also discuss the importance of the normalization term to resolve the scaling ambiguity of the wavefunction. Finally, we conclude that PINNs are a viable approach for quantum eigenvalue problems, and we outline future directions including extensions to higher-dimensional and time-dependent Schr\"odinger equations.

We introduce Clifford Group Equivariant Simplicial Message Passing Networks, a method for steerable E(n)-equivariant message passing on simplicial complexes. Our method integrates the expressivity of Clifford group-equivariant layers with simplicial message passing, which is topologically more intricate than regular graph message passing. Clifford algebras include higher-order objects such as bivectors and trivectors, which express geometric features (e.g., areas, volumes) derived from vectors. Using this knowledge, we represent simplex features through geometric products of their vertices. To achieve efficient simplicial message passing, we share the parameters of the message network across different dimensions. Additionally, we restrict the final message to an aggregation of the incoming messages from different dimensions, leading to what we term shared simplicial message passing. Experimental results show that our method is able to outperform both equivariant and simplicial graph neural networks on a variety of geometric tasks.

Tabular data is arguably one of the most commonly used data structures in various practical domains, including finance, healthcare and e-commerce. The inherent heterogeneity allows tabular data to store rich information. However, based on a recently published tabular benchmark, we can see deep neural networks still fall behind tree-based models on tabular datasets. In this paper, we propose Trompt--which stands for Tabular Prompt--a novel architecture inspired by prompt learning of language models. The essence of prompt learning is to adjust a large pre-trained model through a set of prompts outside the model without directly modifying the model. Based on this idea, Trompt separates the learning strategy of tabular data into two parts. The first part, analogous to pre-trained models, focus on learning the intrinsic information of a table. The second part, analogous to prompts, focus on learning the variations among samples. Trompt is evaluated with the benchmark mentioned above. The experimental results demonstrate that Trompt outperforms state-of-the-art deep neural networks and is comparable to tree-based models.

We propose a technique for producing "visual explanations" for decisions from a large class of CNN-based models, making them more transparent. Our approach - Gradient-weighted Class Activation Mapping (Grad-CAM), uses the gradients of any target concept, flowing into the final convolutional layer to produce a coarse localization map highlighting important regions in the image for predicting the concept. Grad-CAM is applicable to a wide variety of CNN model-families: (1) CNNs with fully-connected layers, (2) CNNs used for structured outputs, (3) CNNs used in tasks with multimodal inputs or reinforcement learning, without any architectural changes or re-training. We combine Grad-CAM with fine-grained visualizations to create a high-resolution class-discriminative visualization and apply it to off-the-shelf image classification, captioning, and visual question answering (VQA) models, including ResNet-based architectures. In the context of image classification models, our visualizations (a) lend insights into their failure modes, (b) are robust to adversarial images, (c) outperform previous methods on localization, (d) are more faithful to the underlying model and (e) help achieve generalization by identifying dataset bias. For captioning and VQA, we show that even non-attention based models can localize inputs. We devise a way to identify important neurons through Grad-CAM and combine it with neuron names to provide textual explanations for model decisions. Finally, we design and conduct human studies to measure if Grad-CAM helps users establish appropriate trust in predictions from models and show that Grad-CAM helps untrained users successfully discern a 'stronger' nodel from a 'weaker' one even when both make identical predictions. Our code is available at https://github.com/ramprs/grad-cam/, along with a demo at http://gradcam.cloudcv.org, and a video at youtu.be/COjUB9Izk6E.

E-commerce query understanding is the process of inferring the shopping intent of customers by extracting semantic meaning from their search queries. The recent progress of pre-trained masked language models (MLM) in natural language processing is extremely attractive for developing effective query understanding models. Specifically, MLM learns contextual text embedding via recovering the masked tokens in the sentences. Such a pre-training process relies on the sufficient contextual information. It is, however, less effective for search queries, which are usually short text. When applying masking to short search queries, most contextual information is lost and the intent of the search queries may be changed. To mitigate the above issues for MLM pre-training on search queries, we propose a novel pre-training task specifically designed for short text, called Extended Token Classification (ETC). Instead of masking the input text, our approach extends the input by inserting tokens via a generator network, and trains a discriminator to identify which tokens are inserted in the extended input. We conduct experiments in an E-commerce store to demonstrate the effectiveness of ETC.

A growing variety of prompt engineering techniques has been proposed for Large Language Models (LLMs), yet systematic evaluation of each technique on individual software engineering (SE) tasks remains underexplored. In this study, we present a systematic evaluation of 14 established prompt techniques across 10 SE tasks using four LLM models. As identified in the prior literature, the selected prompting techniques span six core dimensions (Zero-Shot, Few-Shot, Thought Generation, Ensembling, Self-Criticism, and Decomposition). They are evaluated on tasks such as code generation, bug fixing, and code-oriented question answering, to name a few. Our results show which prompting techniques are most effective for SE tasks requiring complex logic and intensive reasoning versus those that rely more on contextual understanding and example-driven scenarios. We also analyze correlations between the linguistic characteristics of prompts and the factors that contribute to the effectiveness of prompting techniques in enhancing performance on SE tasks. Additionally, we report the time and token consumption for each prompting technique when applied to a specific task and model, offering guidance for practitioners in selecting the optimal prompting technique for their use cases.

We present a publicly-available toolkit of flight-proven hardware and software to retrieve 5 TB of data or small physical samples from a stratospheric balloon platform. Before launch, a capsule is attached to the balloon, and rises with it. Upon remote command, the capsule is released and descends via parachute, continuously transmitting its location. Software to predict the trajectory can be used to select a safe but accessible landing site. We dropped two such capsules from the SuperBIT telescope, in September 2019. The capsules took ~37 minutes to descend from ~30 km altitude. They drifted 32 km and 19 km horizontally, but landed within 300 m and 600 m of their predicted landing sites. We found them easily, and successfully recovered the data. We welcome interest from other balloon teams for whom the technology would be useful.

The Superpressure Balloon-borne Imaging Telescope (SuperBIT) is a diffraction-limited, wide-field, 0.5 m, near-infrared to near-ultraviolet observatory designed to exploit the stratosphere's space-like conditions. SuperBIT's 2023 science flight will deliver deep, blue imaging of galaxy clusters for gravitational lensing analysis. In preparation, we have developed a weak lensing measurement pipeline with modern algorithms for PSF characterization, shape measurement, and shear calibration. We validate our pipeline and forecast SuperBIT survey properties with simulated galaxy cluster observations in SuperBIT's near-UV and blue bandpasses. We predict imaging depth, galaxy number (source) density, and redshift distribution for observations in SuperBIT's three bluest filters; the effect of lensing sample selections is also considered. We find that in three hours of on-sky integration, SuperBIT can attain a depth of b = 26 mag and a total source density exceeding 40 galaxies per square arcminute. Even with the application of lensing-analysis catalog selections, we find b-band source densities between 25 and 30 galaxies per square arcminute with a median redshift of z = 1.1. Our analysis confirms SuperBIT's capability for weak gravitational lensing measurements in the blue.

With the advent of specialized hardware such as Graphics Processing Units (GPUs), large scale image localization, classification and retrieval have seen increased prevalence. Designing scalable software architecture that co-evolves with such specialized hardware is a challenge in the commercial setting. In this paper, we describe one such architecture (Cortexica) that leverages scalability of GPUs and sandboxing offered by docker containers. This allows for the flexibility of mixing different computer architectures as well as computational algorithms with the security of a trusted environment. We illustrate the utility of this framework in a commercial setting i.e., searching for multiple products in an image by combining image localisation and retrieval.

The discovery of the lazy neuron phenomenon in trained Transformers, where the vast majority of neurons in their feed-forward networks (FFN) are inactive for each token, has spurred tremendous interests in activation sparsity for enhancing large model efficiency. While notable progress has been made in translating such sparsity to wall-time benefits, modern Transformers have moved away from the ReLU activation function crucial to this phenomenon. Existing efforts on re-introducing activation sparsity often degrade model quality, increase parameter count, complicate or slow down training. Sparse attention, the application of sparse activation to the attention mechanism, often faces similar challenges. This paper introduces the Spark Transformer, a novel architecture that achieves a high level of activation sparsity in both FFN and the attention mechanism while maintaining model quality, parameter count, and standard training procedures. Our method realizes sparsity via top-k masking for explicit control over sparsity level. Crucially, we introduce statistical top-k, a hardware-accelerator-friendly, linear-time approximate algorithm that avoids costly sorting and mitigates significant training slowdown from standard top-k operators. Furthermore, Spark Transformer reallocates existing FFN parameters and attention key embeddings to form a low-cost predictor for identifying activated entries. This design not only mitigates quality loss from enforced sparsity, but also enhances wall-time benefit. Pretrained with the Gemma-2 recipe, Spark Transformer demonstrates competitive performance on standard benchmarks while exhibiting significant sparsity: only 8% of FFN neurons are activated, and each token attends to a maximum of 256 tokens. This sparsity translates to a 2.5x reduction in FLOPs, leading to decoding wall-time speedups of up to 1.79x on CPU and 1.40x on GPU.

Vertebral labelling and segmentation are two fundamental tasks in an automated spine processing pipeline. Reliable and accurate processing of spine images is expected to benefit clinical decision-support systems for diagnosis, surgery planning, and population-based analysis on spine and bone health. However, designing automated algorithms for spine processing is challenging predominantly due to considerable variations in anatomy and acquisition protocols and due to a severe shortage of publicly available data. Addressing these limitations, the Large Scale Vertebrae Segmentation Challenge (VerSe) was organised in conjunction with the International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI) in 2019 and 2020, with a call for algorithms towards labelling and segmentation of vertebrae. Two datasets containing a total of 374 multi-detector CT scans from 355 patients were prepared and 4505 vertebrae have individually been annotated at voxel-level by a human-machine hybrid algorithm (https://osf.io/nqjyw/, https://osf.io/t98fz/). A total of 25 algorithms were benchmarked on these datasets. In this work, we present the the results of this evaluation and further investigate the performance-variation at vertebra-level, scan-level, and at different fields-of-view. We also evaluate the generalisability of the approaches to an implicit domain shift in data by evaluating the top performing algorithms of one challenge iteration on data from the other iteration. The principal takeaway from VerSe: the performance of an algorithm in labelling and segmenting a spine scan hinges on its ability to correctly identify vertebrae in cases of rare anatomical variations. The content and code concerning VerSe can be accessed at: https://github.com/anjany/verse.

Foundation models trained at scale exhibit remarkable emergent behaviors, learning new capabilities beyond their initial training objectives. We find such emergent behaviors in biological vision models via large-scale contrastive vision-language training. To achieve this, we first curate TreeOfLife-200M, comprising 214 million images of living organisms, the largest and most diverse biological organism image dataset to date. We then train BioCLIP 2 on TreeOfLife-200M to distinguish different species. Despite the narrow training objective, BioCLIP 2 yields extraordinary accuracy when applied to various biological visual tasks such as habitat classification and trait prediction. We identify emergent properties in the learned embedding space of BioCLIP 2. At the inter-species level, the embedding distribution of different species aligns closely with functional and ecological meanings (e.g., beak sizes and habitats). At the intra-species level, instead of being diminished, the intra-species variations (e.g., life stages and sexes) are preserved and better separated in subspaces orthogonal to inter-species distinctions. We provide formal proof and analyses to explain why hierarchical supervision and contrastive objectives encourage these emergent properties. Crucially, our results reveal that these properties become increasingly significant with larger-scale training data, leading to a biologically meaningful embedding space.

In April to May 2023, the superBIT telescope was lifted to the Earth's stratosphere by a helium-filled super-pressure balloon, to acquire astronomical imaging from above (99.5% of) the Earth's atmosphere. It was launched from New Zealand then, for 40 days, circumnavigated the globe five times at a latitude 40 to 50 degrees South. Attached to the telescope were four 'DRS' (Data Recovery System) capsules containing 5 TB solid state data storage, plus a GNSS receiver, Iridium transmitter, and parachute. Data from the telescope were copied to these, and two were dropped over Argentina. They drifted 61 km horizontally while they descended 32 km, but we predicted their descent vectors within 2.4 km: in this location, the discrepancy appears irreducible below 2 km because of high speed, gusty winds and local topography. The capsules then reported their own locations to within a few metres. We recovered the capsules and successfully retrieved all of superBIT's data - despite the telescope itself being later destroyed on landing.

Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 442 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

This research introduces an enhanced version of the multi-objective speech assessment model--MOSA-Net+, by leveraging the acoustic features from Whisper, a large-scaled weakly supervised model. We first investigate the effectiveness of Whisper in deploying a more robust speech assessment model. After that, we explore combining representations from Whisper and SSL models. The experimental results reveal that Whisper's embedding features can contribute to more accurate prediction performance. Moreover, combining the embedding features from Whisper and SSL models only leads to marginal improvement. As compared to intrusive methods, MOSA-Net, and other SSL-based speech assessment models, MOSA-Net+ yields notable improvements in estimating subjective quality and intelligibility scores across all evaluation metrics in Taiwan Mandarin Hearing In Noise test - Quality & Intelligibility (TMHINT-QI) dataset. To further validate its robustness, MOSA-Net+ was tested in the noisy-and-enhanced track of the VoiceMOS Challenge 2023, where it obtained the top-ranked performance among nine systems.

Coronavirus disease (COVID-19) is a pandemic disease, which has already caused thousands of causalities and infected several millions of people worldwide. Any technological tool enabling rapid screening of the COVID-19 infection with high accuracy can be crucially helpful to healthcare professionals. The main clinical tool currently in use for the diagnosis of COVID-19 is the Reverse transcription polymerase chain reaction (RT-PCR), which is expensive, less-sensitive and requires specialized medical personnel. X-ray imaging is an easily accessible tool that can be an excellent alternative in the COVID-19 diagnosis. This research was taken to investigate the utility of artificial intelligence (AI) in the rapid and accurate detection of COVID-19 from chest X-ray images. The aim of this paper is to propose a robust technique for automatic detection of COVID-19 pneumonia from digital chest X-ray images applying pre-trained deep-learning algorithms while maximizing the detection accuracy. A public database was created by the authors combining several public databases and also by collecting images from recently published articles. The database contains a mixture of 423 COVID-19, 1485 viral pneumonia, and 1579 normal chest X-ray images. Transfer learning technique was used with the help of image augmentation to train and validate several pre-trained deep Convolutional Neural Networks (CNNs). The networks were trained to classify two different schemes: i) normal and COVID-19 pneumonia; ii) normal, viral and COVID-19 pneumonia with and without image augmentation. The classification accuracy, precision, sensitivity, and specificity for both the schemes were 99.7%, 99.7%, 99.7% and 99.55% and 97.9%, 97.95%, 97.9%, and 98.8%, respectively.

We model and study the processes of excitation, absorption, and transfer in various networks. The model consists of a harmonic oscillator representing a single-mode radiation field, a qubit acting as an antenna, a network through which the excitation propagates, and a qubit at the end serving as a sink. We investigate how off-resonant excitations can be optimally absorbed and transmitted through the network. Three strategies are considered: optimising network energies, adjusting the couplings between the radiation field, the antenna, and the network, or introducing and optimising driving fields at the start and end of the network. These strategies are tested on three different types of network with increasing complexity: nearest-neighbour and star configurations, and one associated with the Fenna-Matthews-Olson complex. The results show that, among the various strategies, the introduction of driving fields is the most effective, leading to a significant increase in the probability of reaching the sink in a given time. This result remains stable across networks of varying dimensionalities and types, and the driving process requires only a few parameters to be effective.

We explore the feasibility of deploying Bitcoin as the shared monetary standard between Earth and Mars, accounting for physical constraints of interplanetary communication. We introduce a novel primitive, Proof-of-Transit Timestamping (PoTT), to provide cryptographic, tamper-evident audit trails for Bitcoin data across high-latency, intermittently-connected links. Leveraging Delay/Disruption-Tolerant Networking (DTN) and optical low-Earth-orbit (LEO) mesh constellations, we propose an architecture for header-first replication, long-horizon Lightning channels with planetary watchtowers, and secure settlement through federated sidechains or blind-merge-mined (BMM) commit chains. We formalize PoTT, analyze its security model, and show how it measurably improves reliability and accountability without altering Bitcoin consensus or its monetary base. Near-term deployments favor strong federations for local settlement; longer-term, blind-merge-mined commit chains (if adopted) provide an alternative. The Earth L1 monetary base remains unchanged, while Mars can operate a pegged commit chain or strong federation with 1:1 pegged assets for local block production. For transparency, if both time-beacon regimes are simultaneously compromised, PoTT-M2 (and PoTT generally) reduces to administrative assertions rather than cryptographic time-anchoring.

Semantic medical image segmentation is a crucial part of both scientific research and clinical care. With enough labelled data, deep learning models can be trained to accurately automate specific medical image segmentation tasks. However, manually segmenting images to create training data is highly labor intensive. In this paper, we present ScribblePrompt, an interactive segmentation framework for medical imaging that enables human annotators to segment unseen structures using scribbles, clicks, and bounding boxes. Scribbles are an intuitive and effective form of user interaction for complex tasks, however most existing methods focus on click-based interactions. We introduce algorithms for simulating realistic scribbles that enable training models that are amenable to multiple types of interaction. To achieve generalization to new tasks, we train on a diverse collection of 65 open-access biomedical datasets -- using both real and synthetic labels. We test ScribblePrompt on multiple network architectures and unseen datasets, and demonstrate that it can be used in real-time on a single CPU. We evaluate ScribblePrompt using manually-collected scribbles, simulated interactions, and a user study. ScribblePrompt outperforms existing methods in all our evaluations. In the user study, ScribblePrompt reduced annotation time by 28% while improving Dice by 15% compared to existing methods. We showcase ScribblePrompt in an online demo and provide code at https://scribbleprompt.csail.mit.edu

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and spatio-temporal modelling. There are many introductions to transformers, but most do not contain precise mathematical descriptions of the architecture and the intuitions behind the design choices are often also missing. Moreover, as research takes a winding path, the explanations for the components of the transformer can be idiosyncratic. In this note we aim for a mathematically precise, intuitive, and clean description of the transformer architecture. We will not discuss training as this is rather standard. We assume that the reader is familiar with fundamental topics in machine learning including multi-layer perceptrons, linear transformations, softmax functions and basic probability.

We present a unified network for voice separation of an unknown number of speakers. The proposed approach is composed of several separation heads optimized together with a speaker classification branch. The separation is carried out in the time domain, together with parameter sharing between all separation heads. The classification branch estimates the number of speakers while each head is specialized in separating a different number of speakers. We evaluate the proposed model under both clean and noisy reverberant set-tings. Results suggest that the proposed approach is superior to the baseline model by a significant margin. Additionally, we present a new noisy and reverberant dataset of up to five different speakers speaking simultaneously.

We have entered an era where the importance of decentralized solutions has become more obvious. Blockchain technology and its derivatives are distributed ledger technologies that keep the registry of data between peers of a network. This ledger is secured within a successive over looping cryptographic chain. The accomplishment of the Bitcoin cryptocurrency proved that blockchain technology and its derivatives could be used to eliminate intermediaries and provide security for cyberspace. However, there are some challenges in the implementation of blockchain technology. This chapter first explains the concept of blockchain technology and the data that we can store therein. The main advantage of blockchain is the security services that it provides. This section continues by describing these services.. The challenges of blockchain; blockchain anomalies, energy consumption, speed, scalability, interoperability, privacy and cryptology in the age of quantum computing are described. Selected solutions for these challenges are given. Remarkable derivatives of blockchain, which use different solutions (directed acyclic graph, distributed hash table, gossip consensus protocol) to solve some of these challenges are described. Then the data storage in blockchain and evolving data solutions are explained. The comparison of decentralized solutions with the lcentralized database systems is given. A multi-platform interoperable scalable architecture (MPISA) is proposed. In the conclusion we include the evolution assumptions of data storage in a decentralized world.

Ensembling neural networks is an effective way to increase accuracy, and can often match the performance of individual larger models. This observation poses a natural question: given the choice between a deep ensemble and a single neural network with similar accuracy, is one preferable over the other? Recent work suggests that deep ensembles may offer distinct benefits beyond predictive power: namely, uncertainty quantification and robustness to dataset shift. In this work, we demonstrate limitations to these purported benefits, and show that a single (but larger) neural network can replicate these qualities. First, we show that ensemble diversity, by any metric, does not meaningfully contribute to an ensemble's uncertainty quantification on out-of-distribution (OOD) data, but is instead highly correlated with the relative improvement of a single larger model. Second, we show that the OOD performance afforded by ensembles is strongly determined by their in-distribution (InD) performance, and -- in this sense -- is not indicative of any "effective robustness". While deep ensembles are a practical way to achieve improvements to predictive power, uncertainty quantification, and robustness, our results show that these improvements can be replicated by a (larger) single model.

Classic results establish that encouraging predictive diversity improves performance in ensembles of low-capacity models, e.g. through bagging or boosting. Here we demonstrate that these intuitions do not apply to high-capacity neural network ensembles (deep ensembles), and in fact the opposite is often true. In a large scale study of nearly 600 neural network classification ensembles, we examine a variety of interventions that trade off component model performance for predictive diversity. While such interventions can improve the performance of small neural network ensembles (in line with standard intuitions), they harm the performance of the large neural network ensembles most often used in practice. Surprisingly, we also find that discouraging predictive diversity is often benign in large-network ensembles, fully inverting standard intuitions. Even when diversity-promoting interventions do not sacrifice component model performance (e.g. using heterogeneous architectures and training paradigms), we observe an opportunity cost associated with pursuing increased predictive diversity. Examining over 1000 ensembles, we observe that the performance benefits of diverse architectures/training procedures are easily dwarfed by the benefits of simply using higher-capacity models, despite the fact that such higher capacity models often yield significantly less predictive diversity. Overall, our findings demonstrate that standard intuitions around predictive diversity, originally developed for low-capacity ensembles, do not directly apply to modern high-capacity deep ensembles. This work clarifies fundamental challenges to the goal of improving deep ensembles by making them more diverse, while suggesting an alternative path: simply forming ensembles from ever more powerful (and less diverse) component models.

We introduce a new type of deep contextualized word representation that models both (1) complex characteristics of word use (e.g., syntax and semantics), and (2) how these uses vary across linguistic contexts (i.e., to model polysemy). Our word vectors are learned functions of the internal states of a deep bidirectional language model (biLM), which is pre-trained on a large text corpus. We show that these representations can be easily added to existing models and significantly improve the state of the art across six challenging NLP problems, including question answering, textual entailment and sentiment analysis. We also present an analysis showing that exposing the deep internals of the pre-trained network is crucial, allowing downstream models to mix different types of semi-supervision signals.

Current volumetric biomedical foundation models struggle to generalize as public 3D datasets are small and do not cover the broad diversity of medical procedures, conditions, anatomical regions, and imaging protocols. We address this by creating a representation learning method that instead anticipates strong domain shifts at training time itself. We first propose a data engine that synthesizes highly variable training samples that would enable generalization to new biomedical contexts. To then train a single 3D network for any voxel-level task, we develop a contrastive learning method that pretrains the network to be stable against nuisance imaging variation simulated by the data engine, a key inductive bias for generalization. This network's features can be used as robust representations of input images for downstream tasks and its weights provide a strong, dataset-agnostic initialization for finetuning on new datasets. As a result, we set new standards across both multimodality registration and few-shot segmentation, a first for any 3D biomedical vision model, all without (pre-)training on any existing dataset of real images.

The Kov\'ats Retention index (RI) is a quantity measured using gas chromatography and commonly used in the identification of chemical structures. Creating libraries of observed RI values is a laborious task, so we explore the use of a deep neural network for predicting RI values from structure for standard semipolar columns. This network generated predictions with a mean absolute error of 15.1 and, in a quantification of the tail of the error distribution, a 95th percentile absolute error of 46.5. Because of the Artificial Intelligence Retention Indices (AIRI) network's accuracy, it was used to predict RI values for the NIST EI-MS spectral libraries. These RI values are used to improve chemical identification methods and the quality of the library. Estimating uncertainty is an important practical need when using prediction models. To quantify the uncertainty of our network for each individual prediction, we used the outputs of an ensemble of 8 networks to calculate a predicted standard deviation for each RI value prediction. This predicted standard deviation was corrected to follow the error between observed and predicted RI values. The Z scores using these predicted standard deviations had a standard deviation of 1.52 and a 95th percentile absolute Z score corresponding to a mean RI value of 42.6.

Performing multiple heterogeneous visual tasks in dynamic scenes is a hallmark of human perception capability. Despite remarkable progress in image and video recognition via representation learning, current research still focuses on designing specialized networks for singular, homogeneous, or simple combination of tasks. We instead explore the construction of a unified model for major image and video recognition tasks in autonomous driving with diverse input and output structures. To enable such an investigation, we design a new challenge, Video Task Decathlon (VTD), which includes ten representative image and video tasks spanning classification, segmentation, localization, and association of objects and pixels. On VTD, we develop our unified network, VTDNet, that uses a single structure and a single set of weights for all ten tasks. VTDNet groups similar tasks and employs task interaction stages to exchange information within and between task groups. Given the impracticality of labeling all tasks on all frames, and the performance degradation associated with joint training of many tasks, we design a Curriculum training, Pseudo-labeling, and Fine-tuning (CPF) scheme to successfully train VTDNet on all tasks and mitigate performance loss. Armed with CPF, VTDNet significantly outperforms its single-task counterparts on most tasks with only 20% overall computations. VTD is a promising new direction for exploring the unification of perception tasks in autonomous driving.

Robotics has made remarkable hardware strides-from DARPA's Urban and Robotics Challenges to the first humanoid-robot kickboxing tournament-yet commercial autonomy still lags behind progress in machine learning. A major bottleneck is software: current robot stacks demand steep learning curves, low-level C/C++ expertise, fragmented tooling, and intricate hardware integration, in stark contrast to the Python-centric, well-documented ecosystems that propelled modern AI. We introduce ARK, an open-source, Python-first robotics framework designed to close that gap. ARK presents a Gym-style environment interface that allows users to collect data, preprocess it, and train policies using state-of-the-art imitation-learning algorithms (e.g., ACT, Diffusion Policy) while seamlessly toggling between high-fidelity simulation and physical robots. A lightweight client-server architecture provides networked publisher-subscriber communication, and optional C/C++ bindings ensure real-time performance when needed. ARK ships with reusable modules for control, SLAM, motion planning, system identification, and visualization, along with native ROS interoperability. Comprehensive documentation and case studies-from manipulation to mobile navigation-demonstrate rapid prototyping, effortless hardware swapping, and end-to-end pipelines that rival the convenience of mainstream machine-learning workflows. By unifying robotics and AI practices under a common Python umbrella, ARK lowers entry barriers and accelerates research and commercial deployment of autonomous robots.

This work presents Kornia, an open source computer vision library built upon a set of differentiable routines and modules that aims to solve generic computer vision problems. The package uses PyTorch as its main backend, not only for efficiency but also to take advantage of the reverse auto-differentiation engine to define and compute the gradient of complex functions. Inspired by OpenCV, Kornia is composed of a set of modules containing operators that can be integrated into neural networks to train models to perform a wide range of operations including image transformations,camera calibration, epipolar geometry, and low level image processing techniques, such as filtering and edge detection that operate directly on high dimensional tensor representations on graphical processing units, generating faster systems. Examples of classical vision problems implemented using our framework are provided including a benchmark comparing to existing vision libraries.

Cell migration in vivo is often guided by chemical signals. Such chemotaxis, such as performed by immune cells migrating to a wound site, is complicated by the complex geometry inside living tissues. In this study, we extend our theoretical model of branched-cell migration on a network by introducing chemokine sources to explore the cellular response. The model predicts a speed-accuracy tradeoff, whereby slow cells are significantly more accurate and able to follow efficiently a weak chemoattractant signal. We then compare the model's predictions with experimental observations of neutrophils migrating to the site of laser-inflicted wound in a zebrafish larva fin, and migrating in-vitro inside a regular lattice of pillars. We find that the model captures the details of the sub-cellular response to the chemokine gradient, as well as the large-scale migration response. This comparison suggests that the neutrophils behave as fast cells, compromising their chemotaxis accuracy, which explains the functionality of these immune cells.

Large-scale semantic image annotation is a significant challenge for learning-based perception systems in robotics. Current approaches often rely on human labelers, which can be expensive, or simulation data, which can visually or physically differ from real data. This paper proposes Labels from UltraViolet (LUV), a novel framework that enables rapid, labeled data collection in real manipulation environments without human labeling. LUV uses transparent, ultraviolet-fluorescent paint with programmable ultraviolet LEDs to collect paired images of a scene in standard lighting and UV lighting to autonomously extract segmentation masks and keypoints via color segmentation. We apply LUV to a suite of diverse robot perception tasks to evaluate its labeling quality, flexibility, and data collection rate. Results suggest that LUV is 180-2500 times faster than a human labeler across the tasks. We show that LUV provides labels consistent with human annotations on unpainted test images. The networks trained on these labels are used to smooth and fold crumpled towels with 83% success rate and achieve 1.7mm position error with respect to human labels on a surgical needle pose estimation task. The low cost of LUV makes it ideal as a lightweight replacement for human labeling systems, with the one-time setup costs at $300 equivalent to the cost of collecting around 200 semantic segmentation labels on Amazon Mechanical Turk. Code, datasets, visualizations, and supplementary material can be found at https://sites.google.com/berkeley.edu/luv

We present an ultra-fast, precise, parameter-free method, which we term Deep-STORM, for obtaining super-resolution images from stochastically-blinking emitters, such as fluorescent molecules used for localization microscopy. Deep-STORM uses a deep convolutional neural network that can be trained on simulated data or experimental measurements, both of which are demonstrated. The method achieves state-of-the-art resolution under challenging signal-to-noise conditions and high emitter densities, and is significantly faster than existing approaches. Additionally, no prior information on the shape of the underlying structure is required, making the method applicable to any blinking data-set. We validate our approach by super-resolution image reconstruction of simulated and experimentally obtained data.

Interactive digital maps have revolutionized how people travel and learn about the world; however, they rely on pre-existing structured data in GIS databases (e.g., road networks, POI indices), limiting their ability to address geo-visual questions related to what the world looks like. We introduce our vision for Geo-Visual Agents--multimodal AI agents capable of understanding and responding to nuanced visual-spatial inquiries about the world by analyzing large-scale repositories of geospatial images, including streetscapes (e.g., Google Street View), place-based photos (e.g., TripAdvisor, Yelp), and aerial imagery (e.g., satellite photos) combined with traditional GIS data sources. We define our vision, describe sensing and interaction approaches, provide three exemplars, and enumerate key challenges and opportunities for future work.

We introduce a prototyping testbed, GenSC-6G, developed to generate a comprehensive dataset that supports the integration of generative artificial intelligence (AI), quantum computing, and semantic communication for emerging sixth-generation (6G) applications. The GenSC-6G dataset is designed with noise-augmented synthetic data optimized for semantic decoding, classification, and localization tasks, significantly enhancing flexibility for diverse AI-driven communication applications. This adaptable prototype supports seamless modifications across baseline models, communication modules, and goal-oriented decoders. Case studies demonstrate its application in lightweight classification, semantic upsampling, and edge-based language inference under noise conditions. The GenSC-6G dataset serves as a scalable and robust resource for developing goal-oriented communication systems tailored to the growing demands of 6G networks.

Machine Learning methods can learn how to reconstruct Magnetic Resonance Images and thereby accelerate acquisition, which is of paramount importance to the clinical workflow. Physics-informed networks incorporate the forward model of accelerated MRI reconstruction in the learning process. With increasing network complexity, robustness is not ensured when reconstructing data unseen during training. We aim to embed data consistency (DC) in deep networks while balancing the degree of network complexity. While doing so, we will assess whether either explicit or implicit enforcement of DC in varying network architectures is preferred to optimize performance. We propose a scheme called Cascades of Independently Recurrent Inference Machines (CIRIM) to assess DC through unrolled optimization. Herein we assess DC both implicitly by gradient descent and explicitly by a designed term. Extensive comparison of the CIRIM to CS as well as to other methods is performed: the E2EVN, CascadeNet, KIKINet, LPDNet, RIM, IRIM, and UNet. Models were trained and evaluated on T1-weighted and FLAIR contrast brain data, and T2-weighted knee data. Both 1D and 2D undersampling patterns were evaluated. Robustness was tested by reconstructing 7.5x prospectively undersampled 3D FLAIR MRI data of Multiple Sclerosis (MS) patients with white matter lesions. The CIRIM performed best when implicitly enforcing DC, while the E2EVN required an explicit DC formulation. In reconstructing MS patient data, prospectively acquired with a sampling pattern unseen during model training, the CIRIM maintained lesion contrast while efficiently denoising the images. The CIRIM showed highly promising generalization capabilities maintaining a very fair trade-off between reconstructed image quality and fast reconstruction times, which is crucial in the clinical workflow.

The rapid rise of accessibility of unmanned aerial vehicles or drones pose a threat to general security and confidentiality. Most of the commercially available or custom-built drones are multi-rotors and are comprised of multiple propellers. Since these propellers rotate at a high-speed, they are generally the fastest moving parts of an image and cannot be directly "seen" by a classical camera without severe motion blur. We utilize a class of sensors that are particularly suitable for such scenarios called event cameras, which have a high temporal resolution, low-latency, and high dynamic range. In this paper, we model the geometry of a propeller and use it to generate simulated events which are used to train a deep neural network called EVPropNet to detect propellers from the data of an event camera. EVPropNet directly transfers to the real world without any fine-tuning or retraining. We present two applications of our network: (a) tracking and following an unmarked drone and (b) landing on a near-hover drone. We successfully evaluate and demonstrate the proposed approach in many real-world experiments with different propeller shapes and sizes. Our network can detect propellers at a rate of 85.1% even when 60% of the propeller is occluded and can run at upto 35Hz on a 2W power budget. To our knowledge, this is the first deep learning-based solution for detecting propellers (to detect drones). Finally, our applications also show an impressive success rate of 92% and 90% for the tracking and landing tasks respectively.

Hallucinations are a type of output error produced by deep neural networks. While this has been studied in natural language processing, they have not been researched previously in automatic speech recognition. Here, we define hallucinations in ASR as transcriptions generated by a model that are semantically unrelated to the source utterance, yet still fluent and coherent. The similarity of hallucinations to probable natural language outputs of the model creates a danger of deception and impacts the credibility of the system. We show that commonly used metrics, such as word error rates, cannot differentiate between hallucinatory and non-hallucinatory models. To address this, we propose a perturbation-based method for assessing the susceptibility of an automatic speech recognition (ASR) model to hallucination at test time, which does not require access to the training dataset. We demonstrate that this method helps to distinguish between hallucinatory and non-hallucinatory models that have similar baseline word error rates. We further explore the relationship between the types of ASR errors and the types of dataset noise to determine what types of noise are most likely to create hallucinatory outputs. We devise a framework for identifying hallucinations by analysing their semantic connection with the ground truth and their fluency. Finally, we discover how to induce hallucinations with a random noise injection to the utterance.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

In automated planning, recognising the goal of an agent from a trace of observations is an important task with many applications. The state-of-the-art approaches to goal recognition rely on the application of planning techniques, which requires a model of the domain actions and of the initial domain state (written, e.g., in PDDL). We study an alternative approach where goal recognition is formulated as a classification task addressed by machine learning. Our approach, called GRNet, is primarily aimed at making goal recognition more accurate as well as faster by learning how to solve it in a given domain. Given a planning domain specified by a set of propositions and a set of action names, the goal classification instances in the domain are solved by a Recurrent Neural Network (RNN). A run of the RNN processes a trace of observed actions to compute how likely it is that each domain proposition is part of the agent's goal, for the problem instance under considerations. These predictions are then aggregated to choose one of the candidate goals. The only information required as input of the trained RNN is a trace of action labels, each one indicating just the name of an observed action. An experimental analysis confirms that \our achieves good performance in terms of both goal classification accuracy and runtime, obtaining better performance w.r.t. a state-of-the-art goal recognition system over the considered benchmarks.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

Aggregating information from features across different layers is an essential operation for dense prediction models. Despite its limited expressiveness, feature concatenation dominates the choice of aggregation operations. In this paper, we introduce Attentive Feature Aggregation (AFA) to fuse different network layers with more expressive non-linear operations. AFA exploits both spatial and channel attention to compute weighted average of the layer activations. Inspired by neural volume rendering, we extend AFA with Scale-Space Rendering (SSR) to perform late fusion of multi-scale predictions. AFA is applicable to a wide range of existing network designs. Our experiments show consistent and significant improvements on challenging semantic segmentation benchmarks, including Cityscapes, BDD100K, and Mapillary Vistas, at negligible computational and parameter overhead. In particular, AFA improves the performance of the Deep Layer Aggregation (DLA) model by nearly 6% mIoU on Cityscapes. Our experimental analyses show that AFA learns to progressively refine segmentation maps and to improve boundary details, leading to new state-of-the-art results on boundary detection benchmarks on BSDS500 and NYUDv2. Code and video resources are available at http://vis.xyz/pub/dla-afa.

A capsule is a group of neurons whose activity vector represents the instantiation parameters of a specific type of entity such as an object or an object part. We use the length of the activity vector to represent the probability that the entity exists and its orientation to represent the instantiation parameters. Active capsules at one level make predictions, via transformation matrices, for the instantiation parameters of higher-level capsules. When multiple predictions agree, a higher level capsule becomes active. We show that a discrimininatively trained, multi-layer capsule system achieves state-of-the-art performance on MNIST and is considerably better than a convolutional net at recognizing highly overlapping digits. To achieve these results we use an iterative routing-by-agreement mechanism: A lower-level capsule prefers to send its output to higher level capsules whose activity vectors have a big scalar product with the prediction coming from the lower-level capsule.

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already been described in the literature. These models learn a message passing algorithm and aggregation procedure to compute a function of their entire input graph. At this point, the next step is to find a particularly effective variant of this general approach and apply it to chemical prediction benchmarks until we either solve them or reach the limits of the approach. In this paper, we reformulate existing models into a single common framework we call Message Passing Neural Networks (MPNNs) and explore additional novel variations within this framework. Using MPNNs we demonstrate state of the art results on an important molecular property prediction benchmark; these results are strong enough that we believe future work should focus on datasets with larger molecules or more accurate ground truth labels.

Recent advancements in super-resolution for License Plate Recognition (LPR) have sought to address challenges posed by low-resolution (LR) and degraded images in surveillance, traffic monitoring, and forensic applications. However, existing studies have relied on private datasets and simplistic degradation models. To address this gap, we introduce UFPR-SR-Plates, a novel dataset containing 10,000 tracks with 100,000 paired low and high-resolution license plate images captured under real-world conditions. We establish a benchmark using multiple sequential LR and high-resolution (HR) images per vehicle -- five of each -- and two state-of-the-art models for super-resolution of license plates. We also investigate three fusion strategies to evaluate how combining predictions from a leading Optical Character Recognition (OCR) model for multiple super-resolved license plates enhances overall performance. Our findings demonstrate that super-resolution significantly boosts LPR performance, with further improvements observed when applying majority vote-based fusion techniques. Specifically, the Layout-Aware and Character-Driven Network (LCDNet) model combined with the Majority Vote by Character Position (MVCP) strategy led to the highest recognition rates, increasing from 1.7% with low-resolution images to 31.1% with super-resolution, and up to 44.7% when combining OCR outputs from five super-resolved images. These findings underscore the critical role of super-resolution and temporal information in enhancing LPR accuracy under real-world, adverse conditions. The proposed dataset is publicly available to support further research and can be accessed at: https://valfride.github.io/nascimento2024toward/

Adversarial attacks have emerged as a critical threat to autonomous driving systems. These attacks exploit the underlying neural network, allowing small -- nearly invisible -- perturbations to completely alter the behavior of such systems in potentially malicious ways. E.g., causing a traffic sign classification network to misclassify a stop sign as a speed limit sign. Prior working in hardening such systems to adversarial attacks have looked at robust training of the system or adding additional pre-processing steps to the input pipeline. Such solutions either have a hard time generalizing, require knowledge of the adversarial attacks during training, or are computationally undesirable. Instead, we propose to take insights for parameter efficient fine-tuning and use low-rank adaptation (LoRA) to train a lightweight security patch -- enabling us to dynamically patch a large preexisting vision system as new vulnerabilities are discovered. We demonstrate that our framework can patch a pre-trained model to improve classification accuracy by up to 78.01% in the presence of adversarial examples.

Pruning neural networks, which involves removing a fraction of their weights, can often maintain high accuracy while significantly reducing model complexity, at least up to a certain limit. We present a neural network pruning technique that builds upon the Combinatorial Brain Surgeon, but solves an optimization problem over a subset of the network weights in an iterative, block-wise manner using block coordinate descent. The iterative, block-based nature of this pruning technique, which we dub ``iterative Combinatorial Brain Surgeon'' (iCBS) allows for scalability to very large models, including large language models (LLMs), that may not be feasible with a one-shot combinatorial optimization approach. When applied to large models like Mistral and DeiT, iCBS achieves higher performance metrics at the same density levels compared to existing pruning methods such as Wanda. This demonstrates the effectiveness of this iterative, block-wise pruning method in compressing and optimizing the performance of large deep learning models, even while optimizing over only a small fraction of the weights. Moreover, our approach allows for a quality-time (or cost) tradeoff that is not available when using a one-shot pruning technique alone. The block-wise formulation of the optimization problem enables the use of hardware accelerators, potentially offsetting the increased computational costs compared to one-shot pruning methods like Wanda. In particular, the optimization problem solved for each block is quantum-amenable in that it could, in principle, be solved by a quantum computer.

Singular regular points often arise in differential equations describing physical phenomena such as fluid dynamics, electromagnetism, and gravitation. Traditional numerical techniques often fail or become unstable near these points, requiring the use of semi-analytical tools, such as series expansions and perturbative methods, in combination with numerical algorithms; or to invoke more sophisticated methods. In this work, we take an alternative route and leverage the power of machine learning to exploit Physics Informed Neural Networks (PINNs) as a modern approach to solving ordinary differential equations with singular points. PINNs utilize deep learning architectures to approximate solutions by embedding the differential equations into the loss function of the neural network. We discuss the advantages of PINNs in handling singularities, particularly their ability to bypass traditional grid-based methods and provide smooth approximations across irregular regions. Techniques for enhancing the accuracy of PINNs near singular points, such as adaptive loss weighting, are used in order to achieve high efficiency in the training of the network. We exemplify our results by studying four differential equations of interest in mathematics and gravitation -- the Legendre equation, the hypergeometric equation, the solution for black hole space-times in theories of Lorentz violating gravity, and the spherical accretion of a perfect fluid in a Schwarzschild geometry.

Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based assays such as Cell Painting can better capture complex DTI interactions. This paper introduces MOTIVE, a Morphological cOmpound Target Interaction Graph dataset that comprises Cell Painting features for 11,000 genes and 3,600 compounds along with their relationships extracted from seven publicly available databases. We provide random, cold-source (new drugs), and cold-target (new genes) data splits to enable rigorous evaluation under realistic use cases. Our benchmark results show that graph neural networks that use Cell Painting features consistently outperform those that learn from graph structure alone, feature-based models, and topological heuristics. MOTIVE accelerates both graph ML research and drug discovery by promoting the development of more reliable DTI prediction models. MOTIVE resources are available at https://github.com/carpenter-singh-lab/motive.

Breast cancer is a prevalent form of cancer among women, with over 1.5 million women being diagnosed each year. Unfortunately, the survival rates for breast cancer patients in certain third-world countries, like South Africa, are alarmingly low, with only 40% of diagnosed patients surviving beyond five years. The inadequate availability of resources, including qualified pathologists, delayed diagnoses, and ineffective therapy planning, contribute to this low survival rate. To address this pressing issue, medical specialists and researchers have turned to domain-specific AI approaches, specifically deep learning models, to develop end-to-end solutions that can be integrated into computer-aided diagnosis (CAD) systems. By improving the workflow of pathologists, these AI models have the potential to enhance the detection and diagnosis of breast cancer. This research focuses on evaluating the performance of various cutting-edge convolutional neural network (CNN) architectures in comparison to a relatively new model called the Vision Trans-former (ViT). The objective is to determine the superiority of these models in terms of their accuracy and effectiveness. The experimental results reveal that the ViT models outperform the other selected state-of-the-art CNN architectures, achieving an impressive accuracy rate of 95.15%. This study signifies a significant advancement in the field, as it explores the utilization of data augmentation and other relevant preprocessing techniques in conjunction with deep learning models for the detection and diagnosis of breast cancer using datasets of Breast Cancer Histopathological Image Classification.

We introduce a recurrent neural network architecture for automated road surface wetness detection from audio of tire-surface interaction. The robustness of our approach is evaluated on 785,826 bins of audio that span an extensive range of vehicle speeds, noises from the environment, road surface types, and pavement conditions including international roughness index (IRI) values from 25 in/mi to 1400 in/mi. The training and evaluation of the model are performed on different roads to minimize the impact of environmental and other external factors on the accuracy of the classification. We achieve an unweighted average recall (UAR) of 93.2% across all vehicle speeds including 0 mph. The classifier still works at 0 mph because the discriminating signal is present in the sound of other vehicles driving by.

Training state-of-the-art, deep neural networks is computationally expensive. One way to reduce the training time is to normalize the activities of the neurons. A recently introduced technique called batch normalization uses the distribution of the summed input to a neuron over a mini-batch of training cases to compute a mean and variance which are then used to normalize the summed input to that neuron on each training case. This significantly reduces the training time in feed-forward neural networks. However, the effect of batch normalization is dependent on the mini-batch size and it is not obvious how to apply it to recurrent neural networks. In this paper, we transpose batch normalization into layer normalization by computing the mean and variance used for normalization from all of the summed inputs to the neurons in a layer on a single training case. Like batch normalization, we also give each neuron its own adaptive bias and gain which are applied after the normalization but before the non-linearity. Unlike batch normalization, layer normalization performs exactly the same computation at training and test times. It is also straightforward to apply to recurrent neural networks by computing the normalization statistics separately at each time step. Layer normalization is very effective at stabilizing the hidden state dynamics in recurrent networks. Empirically, we show that layer normalization can substantially reduce the training time compared with previously published techniques.

This study developed a novel method for detecting hypernuclear events recorded in nuclear emulsion sheets using machine learning techniques. The artificial neural network-based object detection model was trained on surrogate images created through Monte Carlo simulations and image-style transformations using generative adversarial networks. The performance of the proposed model was evaluated using alpha-decay events obtained from the J-PARC E07 emulsion data. The model achieved approximately twice the detection efficiency of conventional image processing and reduced the time spent on manual visual inspection by approximately 1/17. The established method was successfully applied to the detection of hypernuclear events. This approach is a state-of-the-art tool for discovering rare events recorded in nuclear emulsion sheets without any real data for training.

Approaches to continual learning aim to successfully learn a set of related tasks that arrive in an online manner. Recently, several frameworks have been developed which enable deep learning to be deployed in this learning scenario. A key modelling decision is to what extent the architecture should be shared across tasks. On the one hand, separately modelling each task avoids catastrophic forgetting but it does not support transfer learning and leads to large models. On the other hand, rigidly specifying a shared component and a task-specific part enables task transfer and limits the model size, but it is vulnerable to catastrophic forgetting and restricts the form of task-transfer that can occur. Ideally, the network should adaptively identify which parts of the network to share in a data driven way. Here we introduce such an approach called Continual Learning with Adaptive Weights (CLAW), which is based on probabilistic modelling and variational inference. Experiments show that CLAW achieves state-of-the-art performance on six benchmarks in terms of overall continual learning performance, as measured by classification accuracy, and in terms of addressing catastrophic forgetting.

Visual perspective taking (VPT) is the ability to perceive and reason about the perspectives of others. It is an essential feature of human intelligence, which develops over the first decade of life and requires an ability to process the 3D structure of visual scenes. A growing number of reports have indicated that deep neural networks (DNNs) become capable of analyzing 3D scenes after training on large image datasets. We investigated if this emergent ability for 3D analysis in DNNs is sufficient for VPT with the 3D perception challenge (3D-PC): a novel benchmark for 3D perception in humans and DNNs. The 3D-PC is comprised of three 3D-analysis tasks posed within natural scene images: 1. a simple test of object depth order, 2. a basic VPT task (VPT-basic), and 3. another version of VPT (VPT-Strategy) designed to limit the effectiveness of "shortcut" visual strategies. We tested human participants (N=33) and linearly probed or text-prompted over 300 DNNs on the challenge and found that nearly all of the DNNs approached or exceeded human accuracy in analyzing object depth order. Surprisingly, DNN accuracy on this task correlated with their object recognition performance. In contrast, there was an extraordinary gap between DNNs and humans on VPT-basic. Humans were nearly perfect, whereas most DNNs were near chance. Fine-tuning DNNs on VPT-basic brought them close to human performance, but they, unlike humans, dropped back to chance when tested on VPT-perturb. Our challenge demonstrates that the training routines and architectures of today's DNNs are well-suited for learning basic 3D properties of scenes and objects but are ill-suited for reasoning about these properties like humans do. We release our 3D-PC datasets and code to help bridge this gap in 3D perception between humans and machines.

Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergence of standard estimators of shape distancex2014a measure of representational dissimilarity proposed by Williams et al. (2021).These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a new method-of-moments estimator with a tunable bias-variance tradeoff. We show that this estimator achieves substantially lower bias than standard estimators in simulation and on neural data, particularly in high-dimensional settings. Thus, we lay the foundation for a rigorous statistical theory for high-dimensional shape analysis, and we contribute a new estimation method that is well-suited to practical scientific settings.

In Class-Incremental Learning (CIL) an image classification system is exposed to new classes in each learning session and must be updated incrementally. Methods approaching this problem have updated both the classification head and the feature extractor body at each session of CIL. In this work, we develop a baseline method, First Session Adaptation (FSA), that sheds light on the efficacy of existing CIL approaches and allows us to assess the relative performance contributions from head and body adaption. FSA adapts a pre-trained neural network body only on the first learning session and fixes it thereafter; a head based on linear discriminant analysis (LDA), is then placed on top of the adapted body, allowing exact updates through CIL. FSA is replay-free i.e.~it does not memorize examples from previous sessions of continual learning. To empirically motivate FSA, we first consider a diverse selection of 22 image-classification datasets, evaluating different heads and body adaptation techniques in high/low-shot offline settings. We find that the LDA head performs well and supports CIL out-of-the-box. We also find that Featurewise Layer Modulation (FiLM) adapters are highly effective in the few-shot setting, and full-body adaption in the high-shot setting. Second, we empirically investigate various CIL settings including high-shot CIL and few-shot CIL, including settings that have previously been used in the literature. We show that FSA significantly improves over the state-of-the-art in 15 of the 16 settings considered. FSA with FiLM adapters is especially performant in the few-shot setting. These results indicate that current approaches to continuous body adaptation are not working as expected. Finally, we propose a measure that can be applied to a set of unlabelled inputs which is predictive of the benefits of body adaptation.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Semi-supervised learning, i.e. jointly learning from labeled and unlabeled samples, is an active research topic due to its key role on relaxing human supervision. In the context of image classification, recent advances to learn from unlabeled samples are mainly focused on consistency regularization methods that encourage invariant predictions for different perturbations of unlabeled samples. We, conversely, propose to learn from unlabeled data by generating soft pseudo-labels using the network predictions. We show that a naive pseudo-labeling overfits to incorrect pseudo-labels due to the so-called confirmation bias and demonstrate that mixup augmentation and setting a minimum number of labeled samples per mini-batch are effective regularization techniques for reducing it. The proposed approach achieves state-of-the-art results in CIFAR-10/100, SVHN, and Mini-ImageNet despite being much simpler than other methods. These results demonstrate that pseudo-labeling alone can outperform consistency regularization methods, while the opposite was supposed in previous work. Source code is available at https://git.io/fjQsC.

Based on the established task of identifying boosted, hadronically decaying top quarks, we compare a wide range of modern machine learning approaches. Unlike most established methods they rely on low-level input, for instance calorimeter output. While their network architectures are vastly different, their performance is comparatively similar. In general, we find that these new approaches are extremely powerful and great fun.

Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Tuberculosis (TB) is a chronic lung disease that occurs due to bacterial infection and is one of the top 10 leading causes of death. Accurate and early detection of TB is very important, otherwise, it could be life-threatening. In this work, we have detected TB reliably from the chest X-ray images using image pre-processing, data augmentation, image segmentation, and deep-learning classification techniques. Several public databases were used to create a database of 700 TB infected and 3500 normal chest X-ray images for this study. Nine different deep CNNs (ResNet18, ResNet50, ResNet101, ChexNet, InceptionV3, Vgg19, DenseNet201, SqueezeNet, and MobileNet), which were used for transfer learning from their pre-trained initial weights and trained, validated and tested for classifying TB and non-TB normal cases. Three different experiments were carried out in this work: segmentation of X-ray images using two different U-net models, classification using X-ray images, and segmented lung images. The accuracy, precision, sensitivity, F1-score, specificity in the detection of tuberculosis using X-ray images were 97.07 %, 97.34 %, 97.07 %, 97.14 % and 97.36 % respectively. However, segmented lungs for the classification outperformed than whole X-ray image-based classification and accuracy, precision, sensitivity, F1-score, specificity were 99.9 %, 99.91 %, 99.9 %, 99.9 %, and 99.52 % respectively. The paper also used a visualization technique to confirm that CNN learns dominantly from the segmented lung regions results in higher detection accuracy. The proposed method with state-of-the-art performance can be useful in the computer-aided faster diagnosis of tuberculosis.

In this paper we introduce the olog, or ontology log, a category-theoretic model for knowledge representation (KR). Grounded in formal mathematics, ologs can be rigorously formulated and cross-compared in ways that other KR models (such as semantic networks) cannot. An olog is similar to a relational database schema; in fact an olog can serve as a data repository if desired. Unlike database schemas, which are generally difficult to create or modify, ologs are designed to be user-friendly enough that authoring or reconfiguring an olog is a matter of course rather than a difficult chore. It is hoped that learning to author ologs is much simpler than learning a database definition language, despite their similarity. We describe ologs carefully and illustrate with many examples. As an application we show that any primitive recursive function can be described by an olog. We also show that ologs can be aligned or connected together into a larger network using functors. The various methods of information flow and institutions can then be used to integrate local and global world-views. We finish by providing several different avenues for future research.

The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.

Distributed Acoustic Sensing (DAS) is an emerging technology for earthquake monitoring and subsurface imaging. The recorded seismic signals by DAS have several distinct characteristics, such as unknown coupling effects, strong anthropogenic noise, and ultra-dense spatial sampling. These aspects differ from conventional seismic data recorded by seismic networks, making it challenging to utilize DAS at present for seismic monitoring. New data analysis algorithms are needed to extract useful information from DAS data. Previous studies on conventional seismic data demonstrated that deep learning models could achieve performance close to human analysts in picking seismic phases. However, phase picking on DAS data is still a difficult problem due to the lack of manual labels. Further, the differences in mathematical structure between these two data formats, i.e., ultra-dense DAS arrays and sparse seismic networks, make model fine-tuning or transfer learning difficult to implement on DAS data. In this work, we design a new approach using semi-supervised learning to solve the phase-picking task on DAS arrays. We use a pre-trained PhaseNet model as a teacher network to generate noisy labels of P and S arrivals on DAS data and apply the Gaussian mixture model phase association (GaMMA) method to refine these noisy labels to build training datasets. We develop a new deep learning model, PhaseNet-DAS, to process the 2D spatial-temporal data of DAS arrays and train the model on DAS data. The new deep learning model achieves high picking accuracy and good earthquake detection performance. We then apply the model to process continuous data and build earthquake catalogs directly from DAS recording. Our approach using semi-supervised learning provides a way to build effective deep learning models for DAS, which have the potential to improve earthquake monitoring using large-scale fiber networks.

Recently the LARS and LAMB optimizers have been proposed for training neural networks faster using large batch sizes. LARS and LAMB add layer-wise normalization to the update rules of Heavy-ball momentum and Adam, respectively, and have become popular in prominent benchmarks and deep learning libraries. However, without fair comparisons to standard optimizers, it remains an open question whether LARS and LAMB have any benefit over traditional, generic algorithms. In this work we demonstrate that standard optimization algorithms such as Nesterov momentum and Adam can match or exceed the results of LARS and LAMB at large batch sizes. Our results establish new, stronger baselines for future comparisons at these batch sizes and shed light on the difficulties of comparing optimizers for neural network training more generally.

Despite being robust to small amounts of label noise, convolutional neural networks trained with stochastic gradient methods have been shown to easily fit random labels. When there are a mixture of correct and mislabelled targets, networks tend to fit the former before the latter. This suggests using a suitable two-component mixture model as an unsupervised generative model of sample loss values during training to allow online estimation of the probability that a sample is mislabelled. Specifically, we propose a beta mixture to estimate this probability and correct the loss by relying on the network prediction (the so-called bootstrapping loss). We further adapt mixup augmentation to drive our approach a step further. Experiments on CIFAR-10/100 and TinyImageNet demonstrate a robustness to label noise that substantially outperforms recent state-of-the-art. Source code is available at https://git.io/fjsvE

Organized crime inflicts human suffering on a genocidal scale: the Mexican drug cartels have murdered 150,000 people since 2006, upwards of 700,000 people per year are "exported" in a human trafficking industry enslaving an estimated 40 million people. These nefarious industries rely on sophisticated money laundering schemes to operate. Despite tremendous resources dedicated to anti-money laundering (AML) only a tiny fraction of illicit activity is prevented. The research community can help. In this brief paper, we map the structural and behavioral dynamics driving the technical challenge. We review AML methods, current and emergent. We provide a first look at scalable graph convolutional neural networks for forensic analysis of financial data, which is massive, dense, and dynamic. We report preliminary experimental results using a large synthetic graph (1M nodes, 9M edges) generated by a data simulator we created called AMLSim. We consider opportunities for high performance efficiency, in terms of computation and memory, and we share results from a simple graph compression experiment. Our results support our working hypothesis that graph deep learning for AML bears great promise in the fight against criminal financial activity.

In this paper we study generative modeling via autoencoders while using the elegant geometric properties of the optimal transport (OT) problem and the Wasserstein distances. We introduce Sliced-Wasserstein Autoencoders (SWAE), which are generative models that enable one to shape the distribution of the latent space into any samplable probability distribution without the need for training an adversarial network or defining a closed-form for the distribution. In short, we regularize the autoencoder loss with the sliced-Wasserstein distance between the distribution of the encoded training samples and a predefined samplable distribution. We show that the proposed formulation has an efficient numerical solution that provides similar capabilities to Wasserstein Autoencoders (WAE) and Variational Autoencoders (VAE), while benefiting from an embarrassingly simple implementation.

Point clouds provide a flexible geometric representation suitable for countless applications in computer graphics; they also comprise the raw output of most 3D data acquisition devices. While hand-designed features on point clouds have long been proposed in graphics and vision, however, the recent overwhelming success of convolutional neural networks (CNNs) for image analysis suggests the value of adapting insight from CNN to the point cloud world. Point clouds inherently lack topological information so designing a model to recover topology can enrich the representation power of point clouds. To this end, we propose a new neural network module dubbed EdgeConv suitable for CNN-based high-level tasks on point clouds including classification and segmentation. EdgeConv acts on graphs dynamically computed in each layer of the network. It is differentiable and can be plugged into existing architectures. Compared to existing modules operating in extrinsic space or treating each point independently, EdgeConv has several appealing properties: It incorporates local neighborhood information; it can be stacked applied to learn global shape properties; and in multi-layer systems affinity in feature space captures semantic characteristics over potentially long distances in the original embedding. We show the performance of our model on standard benchmarks including ModelNet40, ShapeNetPart, and S3DIS.

We present RelBench, a public benchmark for solving predictive tasks over relational databases with graph neural networks. RelBench provides databases and tasks spanning diverse domains and scales, and is intended to be a foundational infrastructure for future research. We use RelBench to conduct the first comprehensive study of Relational Deep Learning (RDL) (Fey et al., 2024), which combines graph neural network predictive models with (deep) tabular models that extract initial entity-level representations from raw tables. End-to-end learned RDL models fully exploit the predictive signal encoded in primary-foreign key links, marking a significant shift away from the dominant paradigm of manual feature engineering combined with tabular models. To thoroughly evaluate RDL against this prior gold-standard, we conduct an in-depth user study where an experienced data scientist manually engineers features for each task. In this study, RDL learns better models whilst reducing human work needed by more than an order of magnitude. This demonstrates the power of deep learning for solving predictive tasks over relational databases, opening up many new research opportunities enabled by RelBench.

Speech brain-computer interfaces aim to decipher what a person is trying to say from neural activity alone, restoring communication to people with paralysis who have lost the ability to speak intelligibly. The Brain-to-Text Benchmark '24 and associated competition was created to foster the advancement of decoding algorithms that convert neural activity to text. Here, we summarize the lessons learned from the competition ending on June 1, 2024 (the top 4 entrants also presented their experiences in a recorded webinar). The largest improvements in accuracy were achieved using an ensembling approach, where the output of multiple independent decoders was merged using a fine-tuned large language model (an approach used by all 3 top entrants). Performance gains were also found by improving how the baseline recurrent neural network (RNN) model was trained, including by optimizing learning rate scheduling and by using a diphone training objective. Improving upon the model architecture itself proved more difficult, however, with attempts to use deep state space models or transformers not yet appearing to offer a benefit over the RNN baseline. The benchmark will remain open indefinitely to support further work towards increasing the accuracy of brain-to-text algorithms.

Objective: To allow efficient learning using the Recurrent Inference Machine (RIM) for image reconstruction whereas not being strictly dependent on the training data distribution so that unseen modalities and pathologies are still accurately recovered. Methods: Theoretically, the RIM learns to solve the inverse problem of accelerated-MRI reconstruction whereas being robust to variable imaging conditions. The efficiency and generalization capabilities with different training datasets were studied, as well as recurrent network units with decreasing complexity: the Gated Recurrent Unit (GRU), the Minimal Gated Unit (MGU), and the Independently Recurrent Neural Network (IndRNN), to reduce inference times. Validation was performed against Compressed Sensing (CS) and further assessed based on data unseen during training. A pathology study was conducted by reconstructing simulated white matter lesions and prospectively undersampled data of a Multiple Sclerosis patient. Results: Training on a single modality of 3T T_1-weighted brain data appeared sufficient to also reconstruct 7T T_{2}^*-weighted brain and 3T T_2-weighted knee data. The IndRNN is an efficient recurrent unit, reducing inference time by 68\% compared to CS, whereas maintaining performance. The RIM was able to reconstruct lesions unseen during training more accurately than CS when trained on T_2-weighted knee data. Training on T_1-weighted brain data and on combined data slightly enhanced the signal compared to CS. Conclusion: The RIM is efficient when decreasing its complexity, which reduces the inference time, whereas still being able to reconstruct data and pathology that was unseen during training.

The Circle of Willis (CoW) is an important network of arteries connecting major circulations of the brain. Its vascular architecture is believed to affect the risk, severity, and clinical outcome of serious neurovascular diseases. However, characterizing the highly variable CoW anatomy is still a manual and time-consuming expert task. The CoW is usually imaged by two non-invasive angiographic imaging modalities, magnetic resonance angiography (MRA) and computed tomography angiography (CTA), but there exist limited datasets with annotations on CoW anatomy, especially for CTA. Therefore, we organized the TopCoW challenge with the release of an annotated CoW dataset. The TopCoW dataset is the first public dataset with voxel-level annotations for 13 CoW vessel components, enabled by virtual reality technology. It is also the first large dataset using 200 pairs of MRA and CTA from the same patients. As part of the benchmark, we invited submissions worldwide and attracted over 250 registered participants from six continents. The submissions were evaluated on both internal and external test datasets of 226 scans from over five centers. The top performing teams achieved over 90% Dice scores at segmenting the CoW components, over 80% F1 scores at detecting key CoW components, and over 70% balanced accuracy at classifying CoW variants for nearly all test sets. The best algorithms also showed clinical potential in classifying fetal-type posterior cerebral artery and locating aneurysms with CoW anatomy. TopCoW demonstrated the utility and versatility of CoW segmentation algorithms for a wide range of downstream clinical applications with explainability. The annotated datasets and best performing algorithms have been released as public Zenodo records to foster further methodological development and clinical tool building.

Dynamics prediction, which is the problem of predicting future states of scene objects based on current and prior states, is drawing increasing attention as an instance of learning physics. To solve this problem, Region Proposal Convolutional Interaction Network (RPCIN), a vision-based model, was proposed and achieved state-of-the-art performance in long-term prediction. RPCIN only takes raw images and simple object descriptions, such as the bounding box and segmentation mask of each object, as input. However, despite its success, the model's capability can be compromised under conditions of environment misalignment. In this paper, we investigate two challenging conditions for environment misalignment: Cross-Domain and Cross-Context by proposing four datasets that are designed for these challenges: SimB-Border, SimB-Split, BlenB-Border, and BlenB-Split. The datasets cover two domains and two contexts. Using RPCIN as a probe, experiments conducted on the combinations of the proposed datasets reveal potential weaknesses of the vision-based long-term dynamics prediction model. Furthermore, we propose a promising direction to mitigate the Cross-Domain challenge and provide concrete evidence supporting such a direction, which provides dramatic alleviation of the challenge on the proposed datasets.

The increasing threat of emerging infectious diseases and antimicrobial resistance requires more efficient, high-quality research. Perpetual Observational Studies (POS) nested within a clinical research network can improve planning, quality and efficiency of interventional and observational studies, although real-life benefits and challenges need to be assessed. Ecraid (European Clinical Research Alliance on Infectious Diseases) has initiated POS and will monitor the impact for five specific infectious syndromes.

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.

Neural Architecture Search (NAS) yields state-of-the-art neural networks that outperform their best manually-designed counterparts. However, previous NAS methods search for architectures under one set of training hyper-parameters (i.e., a training recipe), overlooking superior architecture-recipe combinations. To address this, we present Neural Architecture-Recipe Search (NARS) to search both (a) architectures and (b) their corresponding training recipes, simultaneously. NARS utilizes an accuracy predictor that scores architecture and training recipes jointly, guiding both sample selection and ranking. Furthermore, to compensate for the enlarged search space, we leverage "free" architecture statistics (e.g., FLOP count) to pretrain the predictor, significantly improving its sample efficiency and prediction reliability. After training the predictor via constrained iterative optimization, we run fast evolutionary searches in just CPU minutes to generate architecture-recipe pairs for a variety of resource constraints, called FBNetV3. FBNetV3 makes up a family of state-of-the-art compact neural networks that outperform both automatically and manually-designed competitors. For example, FBNetV3 matches both EfficientNet and ResNeSt accuracy on ImageNet with up to 2.0x and 7.1x fewer FLOPs, respectively. Furthermore, FBNetV3 yields significant performance gains for downstream object detection tasks, improving mAP despite 18% fewer FLOPs and 34% fewer parameters than EfficientNet-based equivalents.

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional data. The key insight of VAEs is to learn the latent distribution of data in such a way that new meaningful samples can be generated from it. This approach led to tremendous research and variations in the architectural design of VAEs, nourishing the recent field of research known as unsupervised representation learning. In this article, we provide a comparative evaluation of some of the most successful, recent variations of VAEs. We particularly focus the analysis on the energetic efficiency of the different models, in the spirit of the so called Green AI, aiming both to reduce the carbon footprint and the financial cost of generative techniques. For each architecture we provide its mathematical formulation, the ideas underlying its design, a detailed model description, a running implementation and quantitative results.

We present the findings of "The Alzheimer's Disease Prediction Of Longitudinal Evolution" (TADPOLE) Challenge, which compared the performance of 92 algorithms from 33 international teams at predicting the future trajectory of 219 individuals at risk of Alzheimer's disease. Challenge participants were required to make a prediction, for each month of a 5-year future time period, of three key outcomes: clinical diagnosis, Alzheimer's Disease Assessment Scale Cognitive Subdomain (ADAS-Cog13), and total volume of the ventricles. The methods used by challenge participants included multivariate linear regression, machine learning methods such as support vector machines and deep neural networks, as well as disease progression models. No single submission was best at predicting all three outcomes. For clinical diagnosis and ventricle volume prediction, the best algorithms strongly outperform simple baselines in predictive ability. However, for ADAS-Cog13 no single submitted prediction method was significantly better than random guesswork. Two ensemble methods based on taking the mean and median over all predictions, obtained top scores on almost all tasks. Better than average performance at diagnosis prediction was generally associated with the additional inclusion of features from cerebrospinal fluid (CSF) samples and diffusion tensor imaging (DTI). On the other hand, better performance at ventricle volume prediction was associated with inclusion of summary statistics, such as the slope or maxima/minima of biomarkers. TADPOLE's unique results suggest that current prediction algorithms provide sufficient accuracy to exploit biomarkers related to clinical diagnosis and ventricle volume, for cohort refinement in clinical trials for Alzheimer's disease. However, results call into question the usage of cognitive test scores for patient selection and as a primary endpoint in clinical trials.

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

We present Yambda-5B, a large-scale open dataset sourced from the Yandex.Music streaming platform. Yambda-5B contains 4.79 billion user-item interactions from 1 million users across 9.39 million tracks. The dataset includes two primary types of interactions: implicit feedback (listening events) and explicit feedback (likes, dislikes, unlikes and undislikes). In addition, we provide audio embeddings for most tracks, generated by a convolutional neural network trained on audio spectrograms. A key distinguishing feature of Yambda-5B is the inclusion of the is_organic flag, which separates organic user actions from recommendation-driven events. This distinction is critical for developing and evaluating machine learning algorithms, as Yandex.Music relies on recommender systems to personalize track selection for users. To support rigorous benchmarking, we introduce an evaluation protocol based on a Global Temporal Split, allowing recommendation algorithms to be assessed in conditions that closely mirror real-world use. We report benchmark results for standard baselines (ItemKNN, iALS) and advanced models (SANSA, SASRec) using a variety of evaluation metrics. By releasing Yambda-5B to the community, we aim to provide a readily accessible, industrial-scale resource to advance research, foster innovation, and promote reproducible results in recommender systems.

Transformers consist of diverse building blocks, such as embedding layers, normalization layers, self-attention mechanisms, and point-wise feedforward networks. Thus, understanding the differences and interactions among these blocks is important. In this paper, we uncover a clear Sharpness Disparity across these blocks, which emerges early in training and intriguingly persists throughout the training process. Motivated by this finding, we propose Blockwise Learning Rate (LR), a strategy that tailors the LR to each block's sharpness, accelerating large language model (LLM) pre-training. By integrating Blockwise LR into AdamW, we consistently achieve lower terminal loss and nearly 2times speedup compared to vanilla AdamW. We demonstrate this acceleration across GPT-2 and LLaMA, with model sizes ranging from 0.12B to 1.1B and datasets of OpenWebText and MiniPile. Finally, we incorporate Blockwise LR into Adam-mini (Zhang et al., 2024), a recently proposed memory-efficient variant of Adam, achieving a combined 2times speedup and 2times memory saving. These results underscore the potential of exploiting the sharpness disparity to improve LLM training.

Methods for carefully selecting or generating a small set of training data to learn from, i.e., data pruning, coreset selection, and data distillation, have been shown to be effective in reducing the ever-increasing cost of training neural networks. Behind this success are rigorously designed strategies for identifying informative training examples out of large datasets. However, these strategies come with additional computational costs associated with subset selection or data distillation before training begins, and furthermore, many are shown to even under-perform random sampling in high data compression regimes. As such, many data pruning, coreset selection, or distillation methods may not reduce 'time-to-accuracy', which has become a critical efficiency measure of training deep neural networks over large datasets. In this work, we revisit a powerful yet overlooked random sampling strategy to address these challenges and introduce an approach called Repeated Sampling of Random Subsets (RSRS or RS2), where we randomly sample the subset of training data for each epoch of model training. We test RS2 against thirty state-of-the-art data pruning and data distillation methods across four datasets including ImageNet. Our results demonstrate that RS2 significantly reduces time-to-accuracy compared to existing techniques. For example, when training on ImageNet in the high-compression regime (using less than 10% of the dataset each epoch), RS2 yields accuracy improvements up to 29% compared to competing pruning methods while offering a runtime reduction of 7x. Beyond the above meta-study, we provide a convergence analysis for RS2 and discuss its generalization capability. The primary goal of our work is to establish RS2 as a competitive baseline for future data selection or distillation techniques aimed at efficient training.

Simulated annealing (SA) is a stochastic global optimisation technique applicable to a wide range of discrete and continuous variable problems. Despite its simplicity, the development of an effective SA optimiser for a given problem hinges on a handful of carefully handpicked components; namely, neighbour proposal distribution and temperature annealing schedule. In this work, we view SA from a reinforcement learning perspective and frame the proposal distribution as a policy, which can be optimised for higher solution quality given a fixed computational budget. We demonstrate that this Neural SA with such a learnt proposal distribution, parametrised by small equivariant neural networks, outperforms SA baselines on a number of problems: Rosenbrock's function, the Knapsack problem, the Bin Packing problem, and the Travelling Salesperson problem. We also show that Neural SA scales well to large problems - generalising to significantly larger problems than the ones seen during training - while achieving comparable performance to popular off-the-shelf solvers and other machine learning methods in terms of solution quality and wall-clock time.

Cosmological simulations provide a wealth of data in the form of point clouds and directed trees. A crucial goal is to extract insights from this data that shed light on the nature and composition of the Universe. In this paper we introduce CosmoBench, a benchmark dataset curated from state-of-the-art cosmological simulations whose runs required more than 41 million core-hours and generated over two petabytes of data. CosmoBench is the largest dataset of its kind: it contains 34 thousand point clouds from simulations of dark matter halos and galaxies at three different length scales, as well as 25 thousand directed trees that record the formation history of halos on two different time scales. The data in CosmoBench can be used for multiple tasks -- to predict cosmological parameters from point clouds and merger trees, to predict the velocities of individual halos and galaxies from their collective positions, and to reconstruct merger trees on finer time scales from those on coarser time scales. We provide several baselines on these tasks, some based on established approaches from cosmological modeling and others rooted in machine learning. For the latter, we study different approaches -- from simple linear models that are minimally constrained by symmetries to much larger and more computationally-demanding models in deep learning, such as graph neural networks. We find that least-squares fits with a handful of invariant features sometimes outperform deep architectures with many more parameters and far longer training times. Still there remains tremendous potential to improve these baselines by combining machine learning and cosmology to fully exploit the data. CosmoBench sets the stage for bridging cosmology and geometric deep learning at scale. We invite the community to push the frontier of scientific discovery by engaging with this dataset, available at https://cosmobench.streamlit.app

Recent advances in image and video generation raise hopes that these models possess world modeling capabilities, the ability to generate realistic, physically plausible videos. This could revolutionize applications in robotics, autonomous driving, and scientific simulation. However, before treating these models as world models, we must ask: Do they adhere to physical conservation laws? To answer this, we introduce Morpheus, a benchmark for evaluating video generation models on physical reasoning. It features 80 real-world videos capturing physical phenomena, guided by conservation laws. Since artificial generations lack ground truth, we assess physical plausibility using physics-informed metrics evaluated with respect to infallible conservation laws known per physical setting, leveraging advances in physics-informed neural networks and vision-language foundation models. Our findings reveal that even with advanced prompting and video conditioning, current models struggle to encode physical principles despite generating aesthetically pleasing videos. All data, leaderboard, and code are open-sourced at our project page.

Reinforcement learning has seen wide success in finetuning large language models to better align with instructions via human feedback. The so-called algorithm, Reinforcement Learning with Human Feedback (RLHF) demonstrates impressive performance on the GPT series models. However, the underlying Reinforcement Learning (RL) algorithm is complex and requires an additional training pipeline for reward and value networks. In this paper, we consider an alternative approach: converting feedback to instruction by relabeling the original one and training the model for better alignment in a supervised manner. Such an algorithm doesn't require any additional parameters except for the original language model and maximally reuses the pretraining pipeline. To achieve this, we formulate instruction alignment problem for language models as a goal-reaching problem in decision making. We propose Hindsight Instruction Relabeling (HIR), a novel algorithm for aligning language models with instructions. The resulting two-stage algorithm shed light to a family of reward-free approaches that utilize the hindsightly relabeled instructions based on feedback. We evaluate the performance of HIR extensively on 12 challenging BigBench reasoning tasks and show that HIR outperforms the baseline algorithms and is comparable to or even surpasses supervised finetuning.

There has been significant recent progress in training differentially private (DP) models which achieve accuracy that approaches the best non-private models. These DP models are typically pretrained on large public datasets and then fine-tuned on private downstream datasets that are relatively large and similar in distribution to the pretraining data. However, in many applications including personalization and federated learning, it is crucial to perform well (i) in the few-shot setting, as obtaining large amounts of labeled data may be problematic; and (ii) on datasets from a wide variety of domains for use in various specialist settings. To understand under which conditions few-shot DP can be effective, we perform an exhaustive set of experiments that reveals how the accuracy and vulnerability to attack of few-shot DP image classification models are affected as the number of shots per class, privacy level, model architecture, downstream dataset, and subset of learnable parameters in the model vary. We show that to achieve DP accuracy on par with non-private models, the shots per class must be increased as the privacy level increases. We also show that learning parameter-efficient FiLM adapters under DP is competitive with learning just the final classifier layer or learning all of the network parameters. Finally, we evaluate DP federated learning systems and establish state-of-the-art performance on the challenging FLAIR benchmark.

The recent surge in performance for image analysis of digitised pathology slides can largely be attributed to the advances in deep learning. Deep models can be used to initially localise various structures in the tissue and hence facilitate the extraction of interpretable features for biomarker discovery. However, these models are typically trained for a single task and therefore scale poorly as we wish to adapt the model for an increasing number of different tasks. Also, supervised deep learning models are very data hungry and therefore rely on large amounts of training data to perform well. In this paper, we present a multi-task learning approach for segmentation and classification of nuclei, glands, lumina and different tissue regions that leverages data from multiple independent data sources. While ensuring that our tasks are aligned by the same tissue type and resolution, we enable meaningful simultaneous prediction with a single network. As a result of feature sharing, we also show that the learned representation can be used to improve the performance of additional tasks via transfer learning, including nuclear classification and signet ring cell detection. As part of this work, we train our developed Cerberus model on a huge amount of data, consisting of over 600K objects for segmentation and 440K patches for classification. We use our approach to process 599 colorectal whole-slide images from TCGA, where we localise 377 million, 900K and 2.1 million nuclei, glands and lumina, respectively and make the results available to the community for downstream analysis.

Planktonic organisms are of fundamental importance to marine ecosystems: they form the basis of the food web, provide the link between the atmosphere and the deep ocean, and influence global-scale biogeochemical cycles. Scientists are increasingly using imaging-based technologies to study these creatures in their natural habit. Images from such systems provide an unique opportunity to model and understand plankton ecosystems, but the collected datasets can be enormous. The Imaging FlowCytobot (IFCB) at Woods Hole Oceanographic Institution, for example, is an in situ system that has been continuously imaging plankton since 2006. To date, it has generated more than 700 million samples. Manual classification of such a vast image collection is impractical due to the size of the data set. In addition, the annotation task is challenging due to the large space of relevant classes, intra-class variability, and inter-class similarity. Methods for automated classification exist, but the accuracy is often below that of human experts. Here we introduce WHOI-Plankton: a large scale, fine-grained visual recognition dataset for plankton classification, which comprises over 3.4 million expert-labeled images across 70 classes. The labeled image set is complied from over 8 years of near continuous data collection with the IFCB at the Martha's Vineyard Coastal Observatory (MVCO). We discuss relevant metrics for evaluation of classification performance and provide results for a traditional method based on hand-engineered features and two methods based on convolutional neural networks.

Counterspeech -- speech that opposes hate speech -- has gained significant attention recently as a strategy to reduce hate on social media. While previous studies suggest that counterspeech can somewhat reduce hate speech, little is known about its effects on participation in online hate communities, nor which counterspeech tactics reduce harmful behavior. We begin to address these gaps by identifying 25 large hate communities ("subreddits") within Reddit and analyzing the effect of counterspeech on newcomers within these communities. We first construct a new public dataset of carefully annotated counterspeech and non-counterspeech comments within these subreddits. We use this dataset to train a state-of-the-art counterspeech detection model. Next, we use matching to evaluate the causal effects of hostile and non-hostile counterspeech on the engagement of newcomers in hate subreddits. We find that, while non-hostile counterspeech is ineffective at keeping users from fully disengaging from these hate subreddits, a single hostile counterspeech comment substantially reduces both future likelihood of engagement. While offering nuance to the understanding of counterspeech efficacy, these results a) leave unanswered the question of whether hostile counterspeech dissuades newcomers from participation in online hate writ large, or merely drives them into less-moderated and more extreme hate communities, and b) raises ethical considerations about hostile counterspeech, which is both comparatively common and might exacerbate rather than mitigate the net level of antagonism in society. These findings underscore the importance of future work to improve counterspeech tactics and minimize unintended harm.

Large language models (LLMs) fine-tuned on multimodal financial data have demonstrated impressive reasoning capabilities in various financial tasks. However, they often struggle with multi-step, goal-oriented scenarios in interactive financial markets, such as trading, where complex agentic approaches are required to improve decision-making. To address this, we propose FLAG-Trader, a unified architecture integrating linguistic processing (via LLMs) with gradient-driven reinforcement learning (RL) policy optimization, in which a partially fine-tuned LLM acts as the policy network, leveraging pre-trained knowledge while adapting to the financial domain through parameter-efficient fine-tuning. Through policy gradient optimization driven by trading rewards, our framework not only enhances LLM performance in trading but also improves results on other financial-domain tasks. We present extensive empirical evidence to validate these enhancements.

Language is inherent and compulsory for human communication. Whether expressed in a written or spoken way, it ensures understanding between people of the same and different regions. With the growing awareness and effort to include more low-resourced languages in NLP research, African languages have recently been a major subject of research in machine translation, and other text-based areas of NLP. However, there is still very little comparable research in speech recognition for African languages. Interestingly, some of the unique properties of African languages affecting NLP, like their diacritical and tonal complexities, have a major root in their speech, suggesting that careful speech interpretation could provide more intuition on how to deal with the linguistic complexities of African languages for text-based NLP. OkwuGb\'e is a step towards building speech recognition systems for African low-resourced languages. Using Fon and Igbo as our case study, we conduct a comprehensive linguistic analysis of each language and describe the creation of end-to-end, deep neural network-based speech recognition models for both languages. We present a state-of-art ASR model for Fon, as well as benchmark ASR model results for Igbo. Our linguistic analyses (for Fon and Igbo) provide valuable insights and guidance into the creation of speech recognition models for other African low-resourced languages, as well as guide future NLP research for Fon and Igbo. The Fon and Igbo models source code have been made publicly available.

This paper investigates how far a very deep neural network is from attaining close to saturating performance on existing 2D and 3D face alignment datasets. To this end, we make the following 5 contributions: (a) we construct, for the first time, a very strong baseline by combining a state-of-the-art architecture for landmark localization with a state-of-the-art residual block, train it on a very large yet synthetically expanded 2D facial landmark dataset and finally evaluate it on all other 2D facial landmark datasets. (b) We create a guided by 2D landmarks network which converts 2D landmark annotations to 3D and unifies all existing datasets, leading to the creation of LS3D-W, the largest and most challenging 3D facial landmark dataset to date ~230,000 images. (c) Following that, we train a neural network for 3D face alignment and evaluate it on the newly introduced LS3D-W. (d) We further look into the effect of all "traditional" factors affecting face alignment performance like large pose, initialization and resolution, and introduce a "new" one, namely the size of the network. (e) We show that both 2D and 3D face alignment networks achieve performance of remarkable accuracy which is probably close to saturating the datasets used. Training and testing code as well as the dataset can be downloaded from https://www.adrianbulat.com/face-alignment/

Spiking Neural Networks (SNNs) provide an energy-efficient way to extract 3D spatio-temporal features. Point clouds are sparse 3D spatial data, which suggests that SNNs should be well-suited for processing them. However, when applying SNNs to point clouds, they often exhibit limited performance and fewer application scenarios. We attribute this to inappropriate preprocessing and feature extraction methods. To address this issue, we first introduce the Spike Voxel Coding (SVC) scheme, which encodes the 3D point clouds into a sparse spike train space, reducing the storage requirements and saving time on point cloud preprocessing. Then, we propose a Spike Sparse Convolution (SSC) model for efficiently extracting 3D sparse point cloud features. Combining SVC and SSC, we design an efficient 3D SNN backbone (E-3DSNN), which is friendly with neuromorphic hardware. For instance, SSC can be implemented on neuromorphic chips with only minor modifications to the addressing function of vanilla spike convolution. Experiments on ModelNet40, KITTI, and Semantic KITTI datasets demonstrate that E-3DSNN achieves state-of-the-art (SOTA) results with remarkable efficiency. Notably, our E-3DSNN (1.87M) obtained 91.7\% top-1 accuracy on ModelNet40, surpassing the current best SNN baselines (14.3M) by 3.0\%. To our best knowledge, it is the first direct training 3D SNN backbone that can simultaneously handle various 3D computer vision tasks (e.g., classification, detection, and segmentation) with an event-driven nature. Code is available: https://github.com/bollossom/E-3DSNN/.

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

Customized generative text-to-image models have the ability to produce images that closely resemble a given subject. However, in the context of generating advertising images for e-commerce scenarios, it is crucial that the generated subject's identity aligns perfectly with the product being advertised. In order to address the need for strictly-ID preserved advertising image generation, we have developed a Control-Net based customized image generation pipeline and have taken earring model advertising as an example. Our approach facilitates a seamless interaction between the earrings and the model's face, while ensuring that the identity of the earrings remains intact. Furthermore, to achieve a diverse and controllable display, we have proposed a multi-branch cross-attention architecture, which allows for control over the scale, pose, and appearance of the model, going beyond the limitations of text prompts. Our method manages to achieve fine-grained control of the generated model's face, resulting in controllable and captivating advertising effects.

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on both continuous (atom coordinates) and categorical features (atom types). In addition, we provide a probabilistic analysis which admits likelihood computation of molecules using our model. Experimentally, the proposed method significantly outperforms previous 3D molecular generative methods regarding the quality of generated samples and efficiency at training time.

3D convolutions are commonly employed by demosaicking neural models, in the same way as solving other image restoration problems. Counter-intuitively, we show that 3D convolutions implicitly impede the RGB color spectra from exchanging complementary information, resulting in spectral-inconsistent inference of the local spatial high frequency components. As a consequence, shallow 3D convolution networks suffer the Moir\'e artifacts, but deep 3D convolutions cause over-smoothness. We analyze the fundamental difference between demosaicking and other problems that predict lost pixels between available ones (e.g., super-resolution reconstruction), and present the underlying reasons for the confliction between Moir\'e-free and detail-preserving. From the new perspective, our work decouples the common standard convolution procedure to spectral and spatial feature aggregations, which allow strengthening global communication in the spectral dimension while respecting local contrast in the spatial dimension. We apply our demosaicking model to two tasks: Joint Demosaicking-Denoising and Independently Demosaicking. In both applications, our model substantially alleviates artifacts such as Moir\'e and over-smoothness at similar or lower computational cost to currently top-performing models, as validated by diverse evaluations. Source code will be released along with paper publication.

We propose a novel feed-forward 3D editing framework called Shap-Editor. Prior research on editing 3D objects primarily concentrated on editing individual objects by leveraging off-the-shelf 2D image editing networks. This is achieved via a process called distillation, which transfers knowledge from the 2D network to 3D assets. Distillation necessitates at least tens of minutes per asset to attain satisfactory editing results, and is thus not very practical. In contrast, we ask whether 3D editing can be carried out directly by a feed-forward network, eschewing test-time optimisation. In particular, we hypothesise that editing can be greatly simplified by first encoding 3D objects in a suitable latent space. We validate this hypothesis by building upon the latent space of Shap-E. We demonstrate that direct 3D editing in this space is possible and efficient by building a feed-forward editor network that only requires approximately one second per edit. Our experiments show that Shap-Editor generalises well to both in-distribution and out-of-distribution 3D assets with different prompts, exhibiting comparable performance with methods that carry out test-time optimisation for each edited instance.

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

Antibody design is an essential yet challenging task in various domains like therapeutics and biology. There are two major defects in current learning-based methods: 1) tackling only a certain subtask of the whole antibody design pipeline, making them suboptimal or resource-intensive. 2) omitting either the framework regions or side chains, thus incapable of capturing the full-atom geometry. To address these pitfalls, we propose dynamic Multi-channel Equivariant grAph Network (dyMEAN), an end-to-end full-atom model for E(3)-equivariant antibody design given the epitope and the incomplete sequence of the antibody. Specifically, we first explore structural initialization as a knowledgeable guess of the antibody structure and then propose shadow paratope to bridge the epitope-antibody connections. Both 1D sequences and 3D structures are updated via an adaptive multi-channel equivariant encoder that is able to process protein residues of variable sizes when considering full atoms. Finally, the updated antibody is docked to the epitope via the alignment of the shadow paratope. Experiments on epitope-binding CDR-H3 design, complex structure prediction, and affinity optimization demonstrate the superiority of our end-to-end framework and full-atom modeling.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

Existing portrait matting methods either require auxiliary inputs that are costly to obtain or involve multiple stages that are computationally expensive, making them less suitable for real-time applications. In this work, we present a light-weight matting objective decomposition network (MODNet) for portrait matting in real-time with a single input image. The key idea behind our efficient design is by optimizing a series of sub-objectives simultaneously via explicit constraints. In addition, MODNet includes two novel techniques for improving model efficiency and robustness. First, an Efficient Atrous Spatial Pyramid Pooling (e-ASPP) module is introduced to fuse multi-scale features for semantic estimation. Second, a self-supervised sub-objectives consistency (SOC) strategy is proposed to adapt MODNet to real-world data to address the domain shift problem common to trimap-free methods. MODNet is easy to be trained in an end-to-end manner. It is much faster than contemporaneous methods and runs at 67 frames per second on a 1080Ti GPU. Experiments show that MODNet outperforms prior trimap-free methods by a large margin on both Adobe Matting Dataset and a carefully designed photographic portrait matting (PPM-100) benchmark proposed by us. Further, MODNet achieves remarkable results on daily photos and videos. Our code and models are available at https://github.com/ZHKKKe/MODNet, and the PPM-100 benchmark is released at https://github.com/ZHKKKe/PPM.

Recently, neural networks have been widely used in e-commerce recommender systems, owing to the rapid development of deep learning. We formalize the recommender system as a sequential recommendation problem, intending to predict the next items that the user might be interacted with. Recent works usually give an overall embedding from a user's behavior sequence. However, a unified user embedding cannot reflect the user's multiple interests during a period. In this paper, we propose a novel controllable multi-interest framework for the sequential recommendation, called ComiRec. Our multi-interest module captures multiple interests from user behavior sequences, which can be exploited for retrieving candidate items from the large-scale item pool. These items are then fed into an aggregation module to obtain the overall recommendation. The aggregation module leverages a controllable factor to balance the recommendation accuracy and diversity. We conduct experiments for the sequential recommendation on two real-world datasets, Amazon and Taobao. Experimental results demonstrate that our framework achieves significant improvements over state-of-the-art models. Our framework has also been successfully deployed on the offline Alibaba distributed cloud platform.

Recent progress in Sign Language Translation (SLT) has focussed primarily on improving the representational capacity of large language models to incorporate Sign Language features. This work explores an alternative direction: enhancing the geometric properties of skeletal representations themselves. We propose Geo-Sign, a method that leverages the properties of hyperbolic geometry to model the hierarchical structure inherent in sign language kinematics. By projecting skeletal features derived from Spatio-Temporal Graph Convolutional Networks (ST-GCNs) into the Poincar\'e ball model, we aim to create more discriminative embeddings, particularly for fine-grained motions like finger articulations. We introduce a hyperbolic projection layer, a weighted Fr\'echet mean aggregation scheme, and a geometric contrastive loss operating directly in hyperbolic space. These components are integrated into an end-to-end translation framework as a regularisation function, to enhance the representations within the language model. This work demonstrates the potential of hyperbolic geometry to improve skeletal representations for Sign Language Translation, improving on SOTA RGB methods while preserving privacy and improving computational efficiency. Code available here: https://github.com/ed-fish/geo-sign.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

The Bhutanese government is increasing its utilization of technological approaches such as including Remote Sensing-based knowledge in their decision-making process. This study focuses on crop type and crop extent in Paro, one of the top rice-yielding districts in Bhutan, and employs publicly available NICFI high-resolution satellite imagery from Planet. Two Deep Learning (DL) approaches, point-based (DNN) and patch-based (U-Net), models were used in conjunction with cloud-computing platforms. Three different models per DL approaches (DNN and U-Net) were trained: 1) RGBN channels from Planet; 2) RGBN and elevation data (RGBNE); 3) RGBN and Sentinel-1 (S1) data (RGBNS), and RGBN with E and S1 data (RGBNES). From this comprehensive analysis, the U-Net displayed higher performance metrics across both model training and model validation efforts. Among the U-Net model sets, the RGBN, RGBNE, RGBNS, and RGBNES models had an F1-score of 0.8546, 0.8563, 0.8467, and 0.8500 respectively. An independent model evaluation was performed and found a high level of performance variation across all the metrics. For this independent model evaluation, the U-Net RGBN, RGBNE, RGBNES, and RGBN models displayed the F1-scores of 0.5935, 0.6154, 0.5882, and 0.6582, suggesting U-Net RGBNES as the best model. The study shows that the DL approaches can predict rice. Also, DL methods can be used with the survey-based approaches currently utilized by the Bhutan Department of Agriculture. Further, this study demonstrated the usage of regional land cover products such as SERVIR's RLCMS as a weak label approach to capture different strata addressing the class imbalance problem and improving the sampling design for DL application. Finally, through preliminary model testing and comparisons outlined it was shown that using additional features such as NDVI, EVI, and NDWI did not drastically improve model performance.

We introduce a new framework for molecular graph generation with 3D molecular generative models. Our Synthetic Coordinate Embedding (SyCo) framework maps molecular graphs to Euclidean point clouds via synthetic conformer coordinates and learns the inverse map using an E(n)-Equivariant Graph Neural Network (EGNN). The induced point cloud-structured latent space is well-suited to apply existing 3D molecular generative models. This approach simplifies the graph generation problem - without relying on molecular fragments nor autoregressive decoding - into a point cloud generation problem followed by node and edge classification tasks. Further, we propose a novel similarity-constrained optimization scheme for 3D diffusion models based on inpainting and guidance. As a concrete implementation of our framework, we develop EDM-SyCo based on the E(3) Equivariant Diffusion Model (EDM). EDM-SyCo achieves state-of-the-art performance in distribution learning of molecular graphs, outperforming the best non-autoregressive methods by more than 30% on ZINC250K and 16% on the large-scale GuacaMol dataset while improving conditional generation by up to 3.9 times.

Touch is a crucial sensing modality that provides rich information about object properties and interactions with the physical environment. Humans and robots both benefit from using touch to perceive and interact with the surrounding environment (Johansson and Flanagan, 2009; Li et al., 2020; Calandra et al., 2017). However, no existing systems provide rich, multi-modal digital touch-sensing capabilities through a hemispherical compliant embodiment. Here, we describe several conceptual and technological innovations to improve the digitization of touch. These advances are embodied in an artificial finger-shaped sensor with advanced sensing capabilities. Significantly, this fingertip contains high-resolution sensors (~8.3 million taxels) that respond to omnidirectional touch, capture multi-modal signals, and use on-device artificial intelligence to process the data in real time. Evaluations show that the artificial fingertip can resolve spatial features as small as 7 um, sense normal and shear forces with a resolution of 1.01 mN and 1.27 mN, respectively, perceive vibrations up to 10 kHz, sense heat, and even sense odor. Furthermore, it embeds an on-device AI neural network accelerator that acts as a peripheral nervous system on a robot and mimics the reflex arc found in humans. These results demonstrate the possibility of digitizing touch with superhuman performance. The implications are profound, and we anticipate potential applications in robotics (industrial, medical, agricultural, and consumer-level), virtual reality and telepresence, prosthetics, and e-commerce. Toward digitizing touch at scale, we open-source a modular platform to facilitate future research on the nature of touch.

Depression has proven to be a significant public health issue, profoundly affecting the psychological well-being of individuals. If it remains undiagnosed, depression can lead to severe health issues, which can manifest physically and even lead to suicide. Generally, Diagnosing depression or any other mental disorder involves conducting semi-structured interviews alongside supplementary questionnaires, including variants of the Patient Health Questionnaire (PHQ) by Clinicians and mental health professionals. This approach places significant reliance on the experience and judgment of trained physicians, making the diagnosis susceptible to personal biases. Given that the underlying mechanisms causing depression are still being actively researched, physicians often face challenges in diagnosing and treating the condition, particularly in its early stages of clinical presentation. Recently, significant strides have been made in Artificial neural computing to solve problems involving text, image, and speech in various domains. Our analysis has aimed to leverage these state-of-the-art (SOTA) models in our experiments to achieve optimal outcomes leveraging multiple modalities. The experiments were performed on the Extended Distress Analysis Interview Corpus Wizard of Oz dataset (E-DAIC) corpus presented in the Audio/Visual Emotion Challenge (AVEC) 2019 Challenge. The proposed solutions demonstrate better results achieved by Proprietary and Open-source Large Language Models (LLMs), which achieved a Root Mean Square Error (RMSE) score of 3.98 on Textual Modality, beating the AVEC 2019 challenge baseline results and current SOTA regression analysis architectures. Additionally, the proposed solution achieved an accuracy of 71.43% in the classification task. The paper also includes a novel audio-visual multi-modal network that predicts PHQ-8 scores with an RMSE of 6.51.

The current advances in generative AI for learning large neural network models with the capability to produce essays, images, music and even 3D assets from text prompts create opportunities for a manifold of disciplines. In the present paper, we study the potential of deep text-to-3D models in the engineering domain, with focus on the chances and challenges when integrating and interacting with 3D assets in computational simulation-based design optimization. In contrast to traditional design optimization of 3D geometries that often searches for the optimum designs using numerical representations, such as B-Spline surface or deformation parameters in vehicle aerodynamic optimization, natural language challenges the optimization framework by requiring a different interpretation of variation operators while at the same time may ease and motivate the human user interaction. Here, we propose and realize a fully automated evolutionary design optimization framework using Shap-E, a recently published text-to-3D asset network by OpenAI, in the context of aerodynamic vehicle optimization. For representing text prompts in the evolutionary optimization, we evaluate (a) a bag-of-words approach based on prompt templates and Wordnet samples, and (b) a tokenisation approach based on prompt templates and the byte pair encoding method from GPT4. Our main findings from the optimizations indicate that, first, it is important to ensure that the designs generated from prompts are within the object class of application, i.e. diverse and novel designs need to be realistic, and, second, that more research is required to develop methods where the strength of text prompt variations and the resulting variations of the 3D designs share causal relations to some degree to improve the optimization.

We introduce REAL, a benchmark and framework for multi-turn agent evaluations on deterministic simulations of real-world websites. REAL comprises high-fidelity, deterministic replicas of 11 widely-used websites across domains such as e-commerce, travel, communication, and professional networking. We also release a benchmark consisting of 112 practical tasks that mirror everyday complex user interactions requiring both accurate information retrieval and state-changing actions. All interactions occur within this fully controlled setting, eliminating safety risks and enabling robust, reproducible evaluation of agent capability and reliability. Our novel evaluation framework combines programmatic checks of website state for action-based tasks with rubric-guided LLM-based judgments for information retrieval. The framework supports both open-source and proprietary agent systems through a flexible evaluation harness that accommodates black-box commands within browser environments, allowing research labs to test agentic systems without modification. Our empirical results show that frontier language models achieve at most a 41% success rate on REAL, highlighting critical gaps in autonomous web navigation and task completion capabilities. Our framework supports easy integration of new tasks, reproducible evaluation, and scalable post-training data generation, marking a significant step forward in evaluating and advancing agent capabilities.

Future link prediction is a fundamental challenge in various real-world dynamic systems. To address this, numerous temporal graph neural networks (temporal GNNs) and benchmark datasets have been developed. However, these datasets often feature excessive repeated edges and lack complex sequential dynamics, a key characteristic inherent in many real-world applications such as recommender systems and ``Who-To-Follow'' on social networks. This oversight has led existing methods to inadvertently downplay the importance of learning sequential dynamics, focusing primarily on predicting repeated edges. In this study, we demonstrate that existing methods, such as GraphMixer and DyGFormer, are inherently incapable of learning simple sequential dynamics, such as ``a user who has followed OpenAI and Anthropic is more likely to follow AI at Meta next.'' Motivated by this issue, we introduce the Temporal Graph Benchmark with Sequential Dynamics (TGB-Seq), a new benchmark carefully curated to minimize repeated edges, challenging models to learn sequential dynamics and generalize to unseen edges. TGB-Seq comprises large real-world datasets spanning diverse domains, including e-commerce interactions, movie ratings, business reviews, social networks, citation networks and web link networks. Benchmarking experiments reveal that current methods usually suffer significant performance degradation and incur substantial training costs on TGB-Seq, posing new challenges and opportunities for future research. TGB-Seq datasets, leaderboards, and example codes are available at https://tgb-seq.github.io/.

Temporal point processes (TPPs) are widely used to model the timing and occurrence of events in domains such as social networks, transportation systems, and e-commerce. In this paper, we introduce TPP-LLM, a novel framework that integrates large language models (LLMs) with TPPs to capture both the semantic and temporal aspects of event sequences. Unlike traditional methods that rely on categorical event type representations, TPP-LLM directly utilizes the textual descriptions of event types, enabling the model to capture rich semantic information embedded in the text. While LLMs excel at understanding event semantics, they are less adept at capturing temporal patterns. To address this, TPP-LLM incorporates temporal embeddings and employs parameter-efficient fine-tuning (PEFT) methods to effectively learn temporal dynamics without extensive retraining. This approach improves both predictive accuracy and computational efficiency. Experimental results across diverse real-world datasets demonstrate that TPP-LLM outperforms state-of-the-art baselines in sequence modeling and event prediction, highlighting the benefits of combining LLMs with TPPs.

Modeling dynamic graphs, such as those found in social networks, recommendation systems, and e-commerce platforms, is crucial for capturing evolving relationships and delivering relevant insights over time. Traditional approaches primarily rely on graph neural networks with temporal components or sequence generation models, which often focus narrowly on the historical context of target nodes. This limitation restricts the ability to adapt to new and emerging patterns in dynamic graphs. To address this challenge, we propose a novel framework, Retrieval-Augmented Generation for Dynamic Graph modeling (RAG4DyG), which enhances dynamic graph predictions by incorporating contextually and temporally relevant examples from broader graph structures. Our approach includes a time- and context-aware contrastive learning module to identify high-quality demonstrations and a graph fusion strategy to effectively integrate these examples with historical contexts. The proposed framework is designed to be effective in both transductive and inductive scenarios, ensuring adaptability to previously unseen nodes and evolving graph structures. Extensive experiments across multiple real-world datasets demonstrate the effectiveness of RAG4DyG in improving predictive accuracy and adaptability for dynamic graph modeling. The code and datasets are publicly available at https://github.com/YuxiaWu/RAG4DyG.

Tissue segmentation is a routine preprocessing step to reduce the computational cost of whole slide image (WSI) analysis by excluding background regions. Traditional image processing techniques are commonly used for tissue segmentation, but often require manual adjustments to parameter values for atypical cases, fail to exclude all slide and scanning artifacts from the background, and are unable to segment adipose tissue. Pen marking artifacts in particular can be a potential source of bias for subsequent analyses if not removed. In addition, several applications require the separation of individual cross-sections, which can be challenging due to tissue fragmentation and adjacent positioning. To address these problems, we develop a convolutional neural network for tissue and pen marking segmentation using a dataset of 200 H&E stained WSIs. For separating tissue cross-sections, we propose a novel post-processing method based on clustering predicted centroid locations of the cross-sections in a 2D histogram. On an independent test set, the model achieved a mean Dice score of 0.981pm0.033 for tissue segmentation and a mean Dice score of 0.912pm0.090 for pen marking segmentation. The mean absolute difference between the number of annotated and separated cross-sections was 0.075pm0.350. Our results demonstrate that the proposed model can accurately segment H&E stained tissue cross-sections and pen markings in WSIs while being robust to many common slide and scanning artifacts. The model with trained model parameters and post-processing method are made publicly available as a Python package called SlideSegmenter.

We study the problem of query attribute value extraction, which aims to identify named entities from user queries as diverse surface form attribute values and afterward transform them into formally canonical forms. Such a problem consists of two phases: {named entity recognition (NER)} and {attribute value normalization (AVN)}. However, existing works only focus on the NER phase but neglect equally important AVN. To bridge this gap, this paper proposes a unified query attribute value extraction system in e-commerce search named QUEACO, which involves both two phases. Moreover, by leveraging large-scale weakly-labeled behavior data, we further improve the extraction performance with less supervision cost. Specifically, for the NER phase, QUEACO adopts a novel teacher-student network, where a teacher network that is trained on the strongly-labeled data generates pseudo-labels to refine the weakly-labeled data for training a student network. Meanwhile, the teacher network can be dynamically adapted by the feedback of the student's performance on strongly-labeled data to maximally denoise the noisy supervisions from the weak labels. For the AVN phase, we also leverage the weakly-labeled query-to-attribute behavior data to normalize surface form attribute values from queries into canonical forms from products. Extensive experiments on a real-world large-scale E-commerce dataset demonstrate the effectiveness of QUEACO.

Food security is a complex, multidimensional concept challenging to measure comprehensively. Effective anticipation, monitoring, and mitigation of food crises require timely and comprehensive global data. This paper introduces the Harmonized Food Insecurity Dataset (HFID), an open-source resource consolidating four key data sources: the Integrated Food Security Phase Classification (IPC)/Cadre Harmonis\'e (CH) phases, the Famine Early Warning Systems Network (FEWS NET) IPC-compatible phases, and the World Food Program's (WFP) Food Consumption Score (FCS) and reduced Coping Strategy Index (rCSI). Updated monthly and using a common reference system for administrative units, the HFID offers extensive spatial and temporal coverage. It serves as a vital tool for food security experts and humanitarian agencies, providing a unified resource for analyzing food security conditions and highlighting global data disparities. The scientific community can also leverage the HFID to develop data-driven predictive models, enhancing the capacity to forecast and prevent future food crises.

Fine-grained classification is a challenging task that involves identifying subtle differences between objects within the same category. This task is particularly challenging in scenarios where data is scarce. Visual transformers (ViT) have recently emerged as a powerful tool for image classification, due to their ability to learn highly expressive representations of visual data using self-attention mechanisms. In this work, we explore Semi-ViT, a ViT model fine tuned using semi-supervised learning techniques, suitable for situations where we have lack of annotated data. This is particularly common in e-commerce, where images are readily available but labels are noisy, nonexistent, or expensive to obtain. Our results demonstrate that Semi-ViT outperforms traditional convolutional neural networks (CNN) and ViTs, even when fine-tuned with limited annotated data. These findings indicate that Semi-ViTs hold significant promise for applications that require precise and fine-grained classification of visual data.

Automated Program Repair (APR) improves developer productivity by saving debugging and bug-fixing time. While APR has been extensively explored for C/C++ and Java programs, there is little research on bugs in PHP programs due to the lack of a benchmark PHP bug dataset. This is surprising given that PHP has been one of the most widely used server-side languages for over two decades, being used in a variety of contexts such as e-commerce, social networking, and content management. This paper presents a benchmark dataset of PHP bugs on real-world applications called BUGSPHP, which can enable research on analysis, testing, and repair for PHP programs. The dataset consists of training and test datasets, separately curated from GitHub and processed locally. The training dataset includes more than 600,000 bug-fixing commits. The test dataset contains 513 manually validated bug-fixing commits equipped with developer-provided test cases to assess patch correctness.

The ability to perform pixel-wise semantic segmentation in real-time is of paramount importance in mobile applications. Recent deep neural networks aimed at this task have the disadvantage of requiring a large number of floating point operations and have long run-times that hinder their usability. In this paper, we propose a novel deep neural network architecture named ENet (efficient neural network), created specifically for tasks requiring low latency operation. ENet is up to 18times faster, requires 75times less FLOPs, has 79times less parameters, and provides similar or better accuracy to existing models. We have tested it on CamVid, Cityscapes and SUN datasets and report on comparisons with existing state-of-the-art methods, and the trade-offs between accuracy and processing time of a network. We present performance measurements of the proposed architecture on embedded systems and suggest possible software improvements that could make ENet even faster.