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Aug 12

Evaluating Explainable AI: Which Algorithmic Explanations Help Users Predict Model Behavior?

Algorithmic approaches to interpreting machine learning models have proliferated in recent years. We carry out human subject tests that are the first of their kind to isolate the effect of algorithmic explanations on a key aspect of model interpretability, simulatability, while avoiding important confounding experimental factors. A model is simulatable when a person can predict its behavior on new inputs. Through two kinds of simulation tests involving text and tabular data, we evaluate five explanations methods: (1) LIME, (2) Anchor, (3) Decision Boundary, (4) a Prototype model, and (5) a Composite approach that combines explanations from each method. Clear evidence of method effectiveness is found in very few cases: LIME improves simulatability in tabular classification, and our Prototype method is effective in counterfactual simulation tests. We also collect subjective ratings of explanations, but we do not find that ratings are predictive of how helpful explanations are. Our results provide the first reliable and comprehensive estimates of how explanations influence simulatability across a variety of explanation methods and data domains. We show that (1) we need to be careful about the metrics we use to evaluate explanation methods, and (2) there is significant room for improvement in current methods. All our supporting code, data, and models are publicly available at: https://github.com/peterbhase/InterpretableNLP-ACL2020

Prototype Learning to Create Refined Interpretable Digital Phenotypes from ECGs

Prototype-based neural networks offer interpretable predictions by comparing inputs to learned, representative signal patterns anchored in training data. While such models have shown promise in the classification of physiological data, it remains unclear whether their prototypes capture an underlying structure that aligns with broader clinical phenotypes. We use a prototype-based deep learning model trained for multi-label ECG classification using the PTB-XL dataset. Then without modification we performed inference on the MIMIC-IV clinical database. We assess whether individual prototypes, trained solely for classification, are associated with hospital discharge diagnoses in the form of phecodes in this external population. Individual prototypes demonstrate significantly stronger and more specific associations with clinical outcomes compared to the classifier's class predictions, NLP-extracted concepts, or broader prototype classes across all phecode categories. Prototype classes with mixed significance patterns exhibit significantly greater intra-class distances (p < 0.0001), indicating the model learned to differentiate clinically meaningful variations within diagnostic categories. The prototypes achieve strong predictive performance across diverse conditions, with AUCs ranging from 0.89 for atrial fibrillation to 0.91 for heart failure, while also showing substantial signal for non-cardiac conditions such as sepsis and renal disease. These findings suggest that prototype-based models can support interpretable digital phenotyping from physiologic time-series data, providing transferable intermediate phenotypes that capture clinically meaningful physiologic signatures beyond their original training objectives.

This Looks Like That, Because ... Explaining Prototypes for Interpretable Image Recognition

Image recognition with prototypes is considered an interpretable alternative for black box deep learning models. Classification depends on the extent to which a test image "looks like" a prototype. However, perceptual similarity for humans can be different from the similarity learned by the classification model. Hence, only visualising prototypes can be insufficient for a user to understand what a prototype exactly represents, and why the model considers a prototype and an image to be similar. We address this ambiguity and argue that prototypes should be explained. We improve interpretability by automatically enhancing visual prototypes with textual quantitative information about visual characteristics deemed important by the classification model. Specifically, our method clarifies the meaning of a prototype by quantifying the influence of colour hue, shape, texture, contrast and saturation and can generate both global and local explanations. Because of the generality of our approach, it can improve the interpretability of any similarity-based method for prototypical image recognition. In our experiments, we apply our method to the existing Prototypical Part Network (ProtoPNet). Our analysis confirms that the global explanations are generalisable, and often correspond to the visually perceptible properties of a prototype. Our explanations are especially relevant for prototypes which might have been interpreted incorrectly otherwise. By explaining such 'misleading' prototypes, we improve the interpretability and simulatability of a prototype-based classification model. We also use our method to check whether visually similar prototypes have similar explanations, and are able to discover redundancy. Code is available at https://github.com/M-Nauta/Explaining_Prototypes .

Prototype-guided Cross-task Knowledge Distillation for Large-scale Models

Recently, large-scale pre-trained models have shown their advantages in many tasks. However, due to the huge computational complexity and storage requirements, it is challenging to apply the large-scale model to real scenes. A common solution is knowledge distillation which regards the large-scale model as a teacher model and helps to train a small student model to obtain a competitive performance. Cross-task Knowledge distillation expands the application scenarios of the large-scale pre-trained model. Existing knowledge distillation works focus on directly mimicking the final prediction or the intermediate layers of the teacher model, which represent the global-level characteristics and are task-specific. To alleviate the constraint of different label spaces, capturing invariant intrinsic local object characteristics (such as the shape characteristics of the leg and tail of the cattle and horse) plays a key role. Considering the complexity and variability of real scene tasks, we propose a Prototype-guided Cross-task Knowledge Distillation (ProC-KD) approach to transfer the intrinsic local-level object knowledge of a large-scale teacher network to various task scenarios. First, to better transfer the generalized knowledge in the teacher model in cross-task scenarios, we propose a prototype learning module to learn from the essential feature representation of objects in the teacher model. Secondly, for diverse downstream tasks, we propose a task-adaptive feature augmentation module to enhance the features of the student model with the learned generalization prototype features and guide the training of the student model to improve its generalization ability. The experimental results on various visual tasks demonstrate the effectiveness of our approach for large-scale model cross-task knowledge distillation scenes.

Synthesizing mixed-integer linear programming models from natural language descriptions

Numerous real-world decision-making problems can be formulated and solved using Mixed-Integer Linear Programming (MILP) models. However, the transformation of these problems into MILP models heavily relies on expertise in operations research and mathematical optimization, which restricts non-experts' accessibility to MILP. To address this challenge, we propose a framework for automatically formulating MILP models from unstructured natural language descriptions of decision problems, which integrates Large Language Models (LLMs) and mathematical modeling techniques. This framework consists of three phases: i) identification of decision variables, ii) classification of objective and constraints, and iii) finally, generation of MILP models. In this study, we present a constraint classification scheme and a set of constraint templates that can guide the LLMs in synthesizing a complete MILP model. After fine-tuning LLMs, our approach can identify and synthesize logic constraints in addition to classic demand and resource constraints. The logic constraints have not been studied in existing work. To evaluate the performance of the proposed framework, we extend the NL4Opt dataset with more problem descriptions and constraint types, and with the new dataset, we compare our framework with one-step model generation methods offered by LLMs. The experimental results reveal that with respect to the accuracies of generating the correct model, objective, and constraints, our method which integrates constraint classification and templates with LLMs significantly outperforms the others. The prototype system that we developed has a great potential to capture more constraints for more complex MILPs. It opens up opportunities for developing training tools for operations research practitioners and has the potential to be a powerful tool for automatic decision problem modeling and solving in practice.

A Robust Prototype-Based Network with Interpretable RBF Classifier Foundations

Prototype-based classification learning methods are known to be inherently interpretable. However, this paradigm suffers from major limitations compared to deep models, such as lower performance. This led to the development of the so-called deep Prototype-Based Networks (PBNs), also known as prototypical parts models. In this work, we analyze these models with respect to different properties, including interpretability. In particular, we focus on the Classification-by-Components (CBC) approach, which uses a probabilistic model to ensure interpretability and can be used as a shallow or deep architecture. We show that this model has several shortcomings, like creating contradicting explanations. Based on these findings, we propose an extension of CBC that solves these issues. Moreover, we prove that this extension has robustness guarantees and derive a loss that optimizes robustness. Additionally, our analysis shows that most (deep) PBNs are related to (deep) RBF classifiers, which implies that our robustness guarantees generalize to shallow RBF classifiers. The empirical evaluation demonstrates that our deep PBN yields state-of-the-art classification accuracy on different benchmarks while resolving the interpretability shortcomings of other approaches. Further, our shallow PBN variant outperforms other shallow PBNs while being inherently interpretable and exhibiting provable robustness guarantees.

PS-TTL: Prototype-based Soft-labels and Test-Time Learning for Few-shot Object Detection

In recent years, Few-Shot Object Detection (FSOD) has gained widespread attention and made significant progress due to its ability to build models with a good generalization power using extremely limited annotated data. The fine-tuning based paradigm is currently dominating this field, where detectors are initially pre-trained on base classes with sufficient samples and then fine-tuned on novel ones with few samples, but the scarcity of labeled samples of novel classes greatly interferes precisely fitting their data distribution, thus hampering the performance. To address this issue, we propose a new framework for FSOD, namely Prototype-based Soft-labels and Test-Time Learning (PS-TTL). Specifically, we design a Test-Time Learning (TTL) module that employs a mean-teacher network for self-training to discover novel instances from test data, allowing detectors to learn better representations and classifiers for novel classes. Furthermore, we notice that even though relatively low-confidence pseudo-labels exhibit classification confusion, they still tend to recall foreground. We thus develop a Prototype-based Soft-labels (PS) strategy through assessing similarities between low-confidence pseudo-labels and category prototypes as soft-labels to unleash their potential, which substantially mitigates the constraints posed by few-shot samples. Extensive experiments on both the VOC and COCO benchmarks show that PS-TTL achieves the state-of-the-art, highlighting its effectiveness. The code and model are available at https://github.com/gaoyingjay/PS-TTL.

The EpiBench Platform to Propel AI/ML-based Epidemic Forecasting: A Prototype Demonstration Reaching Human Expert-level Performance

During the COVID-19 pandemic, a significant effort has gone into developing ML-driven epidemic forecasting techniques. However, benchmarks do not exist to claim if a new AI/ML technique is better than the existing ones. The "covid-forecast-hub" is a collection of more than 30 teams, including us, that submit their forecasts weekly to the CDC. It is not possible to declare whether one method is better than the other using those forecasts because each team's submission may correspond to different techniques over the period and involve human interventions as the teams are continuously changing/tuning their approach. Such forecasts may be considered "human-expert" forecasts and do not qualify as AI/ML approaches, although they can be used as an indicator of human expert performance. We are interested in supporting AI/ML research in epidemic forecasting which can lead to scalable forecasting without human intervention. Which modeling technique, learning strategy, and data pre-processing technique work well for epidemic forecasting is still an open problem. To help advance the state-of-the-art AI/ML applied to epidemiology, a benchmark with a collection of performance points is needed and the current "state-of-the-art" techniques need to be identified. We propose EpiBench a platform consisting of community-driven benchmarks for AI/ML applied to epidemic forecasting to standardize the challenge with a uniform evaluation protocol. In this paper, we introduce a prototype of EpiBench which is currently running and accepting submissions for the task of forecasting COVID-19 cases and deaths in the US states and We demonstrate that we can utilize the prototype to develop an ensemble relying on fully automated epidemic forecasts (no human intervention) that reaches human-expert level ensemble currently being used by the CDC.

Game On: Towards Language Models as RL Experimenters

We propose an agent architecture that automates parts of the common reinforcement learning experiment workflow, to enable automated mastery of control domains for embodied agents. To do so, it leverages a VLM to perform some of the capabilities normally required of a human experimenter, including the monitoring and analysis of experiment progress, the proposition of new tasks based on past successes and failures of the agent, decomposing tasks into a sequence of subtasks (skills), and retrieval of the skill to execute - enabling our system to build automated curricula for learning. We believe this is one of the first proposals for a system that leverages a VLM throughout the full experiment cycle of reinforcement learning. We provide a first prototype of this system, and examine the feasibility of current models and techniques for the desired level of automation. For this, we use a standard Gemini model, without additional fine-tuning, to provide a curriculum of skills to a language-conditioned Actor-Critic algorithm, in order to steer data collection so as to aid learning new skills. Data collected in this way is shown to be useful for learning and iteratively improving control policies in a robotics domain. Additional examination of the ability of the system to build a growing library of skills, and to judge the progress of the training of those skills, also shows promising results, suggesting that the proposed architecture provides a potential recipe for fully automated mastery of tasks and domains for embodied agents.

TIJO: Trigger Inversion with Joint Optimization for Defending Multimodal Backdoored Models

We present a Multimodal Backdoor Defense technique TIJO (Trigger Inversion using Joint Optimization). Recent work arXiv:2112.07668 has demonstrated successful backdoor attacks on multimodal models for the Visual Question Answering task. Their dual-key backdoor trigger is split across two modalities (image and text), such that the backdoor is activated if and only if the trigger is present in both modalities. We propose TIJO that defends against dual-key attacks through a joint optimization that reverse-engineers the trigger in both the image and text modalities. This joint optimization is challenging in multimodal models due to the disconnected nature of the visual pipeline which consists of an offline feature extractor, whose output is then fused with the text using a fusion module. The key insight enabling the joint optimization in TIJO is that the trigger inversion needs to be carried out in the object detection box feature space as opposed to the pixel space. We demonstrate the effectiveness of our method on the TrojVQA benchmark, where TIJO improves upon the state-of-the-art unimodal methods from an AUC of 0.6 to 0.92 on multimodal dual-key backdoors. Furthermore, our method also improves upon the unimodal baselines on unimodal backdoors. We present ablation studies and qualitative results to provide insights into our algorithm such as the critical importance of overlaying the inverted feature triggers on all visual features during trigger inversion. The prototype implementation of TIJO is available at https://github.com/SRI-CSL/TIJO.

Memory-Assisted Sub-Prototype Mining for Universal Domain Adaptation

Universal domain adaptation aims to align the classes and reduce the feature gap between the same category of the source and target domains. The target private category is set as the unknown class during the adaptation process, as it is not included in the source domain. However, most existing methods overlook the intra-class structure within a category, especially in cases where there exists significant concept shift between the samples belonging to the same category. When samples with large concept shift are forced to be pushed together, it may negatively affect the adaptation performance. Moreover, from the interpretability aspect, it is unreasonable to align visual features with significant differences, such as fighter jets and civil aircraft, into the same category. Unfortunately, due to such semantic ambiguity and annotation cost, categories are not always classified in detail, making it difficult for the model to perform precise adaptation. To address these issues, we propose a novel Memory-Assisted Sub-Prototype Mining (MemSPM) method that can learn the differences between samples belonging to the same category and mine sub-classes when there exists significant concept shift between them. By doing so, our model learns a more reasonable feature space that enhances the transferability and reflects the inherent differences among samples annotated as the same category. We evaluate the effectiveness of our MemSPM method over multiple scenarios, including UniDA, OSDA, and PDA. Our method achieves state-of-the-art performance on four benchmarks in most cases.

Evaluating Language Models for Mathematics through Interactions

The standard methodology of evaluating large language models (LLMs) based on static pairs of inputs and outputs is insufficient for developing assistants: this kind of assessments fails to take into account the essential interactive element in their deployment, and therefore limits how we understand language model capabilities. We introduce CheckMate, an adaptable prototype platform for humans to interact with and evaluate LLMs. We conduct a study with CheckMate to evaluate three language models~(InstructGPT, ChatGPT, and GPT-4) as assistants in proving undergraduate-level mathematics, with a mixed cohort of participants from undergraduate students to professors of mathematics. We release the resulting interaction and rating dataset, MathConverse. By analysing MathConverse, we derive a preliminary taxonomy of human behaviours and uncover that despite a generally positive correlation, there are notable instances of divergence between correctness and perceived helpfulness in LLM generations, amongst other findings. Further, we identify useful scenarios and existing issues of GPT-4 in mathematical reasoning through a series of case studies contributed by expert mathematicians. We conclude with actionable takeaways for ML practitioners and mathematicians: models which communicate uncertainty, respond well to user corrections, are more interpretable and concise may constitute better assistants; interactive evaluation is a promising way to continually navigate the capability of these models; humans should be aware of language models' algebraic fallibility, and for that reason discern where they should be used.

Video-LLaMA: An Instruction-tuned Audio-Visual Language Model for Video Understanding

We present Video-LLaMA, a multi-modal framework that empowers Large Language Models (LLMs) with the capability of understanding both visual and auditory content in the video. Video-LLaMA bootstraps cross-modal training from the frozen pre-trained visual \& audio encoders and the frozen LLMs. Unlike previous vision- LLMs that focus on static image comprehensions such as MiniGPT-4~zhu2023minigpt and LLaVA~liu2023visualit, Video-LLaMA tackles two challenges in video understanding: (1) capturing the temporal changes in visual scenes, (2) integrating audio-visual signals. For the first challenge, we propose Video Q-former to extend the pre-trained image encoder to a video encoder and introduce a video-to-text generation task to learn video-language correspondence. For the second challenge, we leverage ImageBind~girdhar2023imagebind as the pre-trained audio encoder which performs exceptionally well in aligning different modalities to a common embedding space. And then introduce an Audio Q-former to learn auditory query tokens. To align the output of both visual \& audio encoder with LLM's embedding space, we train Video-LLaMA on a large-scale vision caption dataset and a hign-quantity vision-instruction-tuning dataset. We found Video-LLaMA showcases the ability to perceive and comprehend video content, generating meaningful responses that are grounded in the visual and auditory information present in the videos. This highlights the potential of Video-LLaMA as a promising prototype for audio-visual AI assistants. Our code, pre-trained model, and demo are available at https://github.com/DAMO-NLP-SG/Video-LLaMA.

CrackNex: a Few-shot Low-light Crack Segmentation Model Based on Retinex Theory for UAV Inspections

Routine visual inspections of concrete structures are imperative for upholding the safety and integrity of critical infrastructure. Such visual inspections sometimes happen under low-light conditions, e.g., checking for bridge health. Crack segmentation under such conditions is challenging due to the poor contrast between cracks and their surroundings. However, most deep learning methods are designed for well-illuminated crack images and hence their performance drops dramatically in low-light scenes. In addition, conventional approaches require many annotated low-light crack images which is time-consuming. In this paper, we address these challenges by proposing CrackNex, a framework that utilizes reflectance information based on Retinex Theory to help the model learn a unified illumination-invariant representation. Furthermore, we utilize few-shot segmentation to solve the inefficient training data problem. In CrackNex, both a support prototype and a reflectance prototype are extracted from the support set. Then, a prototype fusion module is designed to integrate the features from both prototypes. CrackNex outperforms the SOTA methods on multiple datasets. Additionally, we present the first benchmark dataset, LCSD, for low-light crack segmentation. LCSD consists of 102 well-illuminated crack images and 41 low-light crack images. The dataset and code are available at https://github.com/zy1296/CrackNex.

ProtoGCD: Unified and Unbiased Prototype Learning for Generalized Category Discovery

Generalized category discovery (GCD) is a pragmatic but underexplored problem, which requires models to automatically cluster and discover novel categories by leveraging the labeled samples from old classes. The challenge is that unlabeled data contain both old and new classes. Early works leveraging pseudo-labeling with parametric classifiers handle old and new classes separately, which brings about imbalanced accuracy between them. Recent methods employing contrastive learning neglect potential positives and are decoupled from the clustering objective, leading to biased representations and sub-optimal results. To address these issues, we introduce a unified and unbiased prototype learning framework, namely ProtoGCD, wherein old and new classes are modeled with joint prototypes and unified learning objectives, {enabling unified modeling between old and new classes}. Specifically, we propose a dual-level adaptive pseudo-labeling mechanism to mitigate confirmation bias, together with two regularization terms to collectively help learn more suitable representations for GCD. Moreover, for practical considerations, we devise a criterion to estimate the number of new classes. Furthermore, we extend ProtoGCD to detect unseen outliers, achieving task-level unification. Comprehensive experiments show that ProtoGCD achieves state-of-the-art performance on both generic and fine-grained datasets. The code is available at https://github.com/mashijie1028/ProtoGCD.

Prototype-based Embedding Network for Scene Graph Generation

Current Scene Graph Generation (SGG) methods explore contextual information to predict relationships among entity pairs. However, due to the diverse visual appearance of numerous possible subject-object combinations, there is a large intra-class variation within each predicate category, e.g., "man-eating-pizza, giraffe-eating-leaf", and the severe inter-class similarity between different classes, e.g., "man-holding-plate, man-eating-pizza", in model's latent space. The above challenges prevent current SGG methods from acquiring robust features for reliable relation prediction. In this paper, we claim that the predicate's category-inherent semantics can serve as class-wise prototypes in the semantic space for relieving the challenges. To the end, we propose the Prototype-based Embedding Network (PE-Net), which models entities/predicates with prototype-aligned compact and distinctive representations and thereby establishes matching between entity pairs and predicates in a common embedding space for relation recognition. Moreover, Prototype-guided Learning (PL) is introduced to help PE-Net efficiently learn such entitypredicate matching, and Prototype Regularization (PR) is devised to relieve the ambiguous entity-predicate matching caused by the predicate's semantic overlap. Extensive experiments demonstrate that our method gains superior relation recognition capability on SGG, achieving new state-of-the-art performances on both Visual Genome and Open Images datasets.

Generalized Few-shot 3D Point Cloud Segmentation with Vision-Language Model

Generalized few-shot 3D point cloud segmentation (GFS-PCS) adapts models to new classes with few support samples while retaining base class segmentation. Existing GFS-PCS methods enhance prototypes via interacting with support or query features but remain limited by sparse knowledge from few-shot samples. Meanwhile, 3D vision-language models (3D VLMs), generalizing across open-world novel classes, contain rich but noisy novel class knowledge. In this work, we introduce a GFS-PCS framework that synergizes dense but noisy pseudo-labels from 3D VLMs with precise yet sparse few-shot samples to maximize the strengths of both, named GFS-VL. Specifically, we present a prototype-guided pseudo-label selection to filter low-quality regions, followed by an adaptive infilling strategy that combines knowledge from pseudo-label contexts and few-shot samples to adaptively label the filtered, unlabeled areas. Additionally, we design a novel-base mix strategy to embed few-shot samples into training scenes, preserving essential context for improved novel class learning. Moreover, recognizing the limited diversity in current GFS-PCS benchmarks, we introduce two challenging benchmarks with diverse novel classes for comprehensive generalization evaluation. Experiments validate the effectiveness of our framework across models and datasets. Our approach and benchmarks provide a solid foundation for advancing GFS-PCS in the real world. The code is at https://github.com/ZhaochongAn/GFS-VL

Training-Free Unsupervised Prompt for Vision-Language Models

Prompt learning has become the most effective paradigm for adapting large pre-trained vision-language models (VLMs) to downstream tasks. Recently, unsupervised prompt tuning methods, such as UPL and POUF, directly leverage pseudo-labels as supervisory information to fine-tune additional adaptation modules on unlabeled data. However, inaccurate pseudo labels easily misguide the tuning process and result in poor representation capabilities. In light of this, we propose Training-Free Unsupervised Prompts (TFUP), which maximally preserves the inherent representation capabilities and enhances them with a residual connection to similarity-based prediction probabilities in a training-free and labeling-free manner. Specifically, we integrate both instance confidence and prototype scores to select representative samples, which are used to customize a reliable Feature Cache Model (FCM) for training-free inference. Then, we design a Multi-level Similarity Measure (MSM) that considers both feature-level and semantic-level similarities to calculate the distance between each test image and the cached sample as the weight of the corresponding cached label to generate similarity-based prediction probabilities. In this way, TFUP achieves surprising performance, even surpassing the training-base method on multiple classification datasets. Based on our TFUP, we propose a training-based approach (TFUP-T) to further boost the adaptation performance. In addition to the standard cross-entropy loss, TFUP-T adopts an additional marginal distribution entropy loss to constrain the model from a global perspective. Our TFUP-T achieves new state-of-the-art classification performance compared to unsupervised and few-shot adaptation approaches on multiple benchmarks. In particular, TFUP-T improves the classification accuracy of POUF by 3.3% on the most challenging Domain-Net dataset.

NAPA-VQ: Neighborhood Aware Prototype Augmentation with Vector Quantization for Continual Learning

Catastrophic forgetting; the loss of old knowledge upon acquiring new knowledge, is a pitfall faced by deep neural networks in real-world applications. Many prevailing solutions to this problem rely on storing exemplars (previously encountered data), which may not be feasible in applications with memory limitations or privacy constraints. Therefore, the recent focus has been on Non-Exemplar based Class Incremental Learning (NECIL) where a model incrementally learns about new classes without using any past exemplars. However, due to the lack of old data, NECIL methods struggle to discriminate between old and new classes causing their feature representations to overlap. We propose NAPA-VQ: Neighborhood Aware Prototype Augmentation with Vector Quantization, a framework that reduces this class overlap in NECIL. We draw inspiration from Neural Gas to learn the topological relationships in the feature space, identifying the neighboring classes that are most likely to get confused with each other. This neighborhood information is utilized to enforce strong separation between the neighboring classes as well as to generate old class representative prototypes that can better aid in obtaining a discriminative decision boundary between old and new classes. Our comprehensive experiments on CIFAR-100, TinyImageNet, and ImageNet-Subset demonstrate that NAPA-VQ outperforms the State-of-the-art NECIL methods by an average improvement of 5%, 2%, and 4% in accuracy and 10%, 3%, and 9% in forgetting respectively. Our code can be found in https://github.com/TamashaM/NAPA-VQ.git.

Evaluation and Improvement of Interpretability for Self-Explainable Part-Prototype Networks

Part-prototype networks (e.g., ProtoPNet, ProtoTree and ProtoPool) have attracted broad research interest for their intrinsic interpretability and comparable accuracy to non-interpretable counterparts. However, recent works find that the interpretability from prototypes is fragile, due to the semantic gap between the similarities in the feature space and that in the input space. In this work, we strive to address this challenge by making the first attempt to quantitatively and objectively evaluate the interpretability of the part-prototype networks. Specifically, we propose two evaluation metrics, termed as consistency score and stability score, to evaluate the explanation consistency across images and the explanation robustness against perturbations, respectively, both of which are essential for explanations taken into practice. Furthermore, we propose an elaborated part-prototype network with a shallow-deep feature alignment (SDFA) module and a score aggregation (SA) module to improve the interpretability of prototypes. We conduct systematical evaluation experiments and provide substantial discussions to uncover the interpretability of existing part-prototype networks. Experiments on three benchmarks across nine architectures demonstrate that our model achieves significantly superior performance to the state of the art, in both the accuracy and interpretability. Codes are available at https://github.com/hqhQAQ/EvalProtoPNet.

DiSa: Directional Saliency-Aware Prompt Learning for Generalizable Vision-Language Models

Prompt learning has emerged as a powerful paradigm for adapting vision-language models such as CLIP to downstream tasks. However, existing methods often overfit to seen data, leading to significant performance degradation when generalizing to novel classes or unseen domains. To address this limitation, we propose DiSa, a Directional Saliency-Aware Prompt Learning framework that integrates two complementary regularization strategies to enhance generalization. First, our Cross-Interactive Regularization (CIR) fosters cross-modal alignment by enabling cooperative learning between prompted and frozen encoders. Within CIR, a saliency-aware masking strategy guides the image encoder to prioritize semantically critical image regions, reducing reliance on less informative patches. Second, we introduce a directional regularization strategy that aligns visual embeddings with class-wise prototype features in a directional manner to prioritize consistency in feature orientation over strict proximity. This approach ensures robust generalization by leveraging stable prototype directions derived from class-mean statistics. Extensive evaluations on 11 diverse image classification benchmarks demonstrate that DiSa consistently outperforms state-of-the-art prompt learning methods across various settings, including base-to-novel generalization, cross-dataset transfer, domain generalization, and few-shot learning.

Online Prototype Learning for Online Continual Learning

Online continual learning (CL) studies the problem of learning continuously from a single-pass data stream while adapting to new data and mitigating catastrophic forgetting. Recently, by storing a small subset of old data, replay-based methods have shown promising performance. Unlike previous methods that focus on sample storage or knowledge distillation against catastrophic forgetting, this paper aims to understand why the online learning models fail to generalize well from a new perspective of shortcut learning. We identify shortcut learning as the key limiting factor for online CL, where the learned features may be biased, not generalizable to new tasks, and may have an adverse impact on knowledge distillation. To tackle this issue, we present the online prototype learning (OnPro) framework for online CL. First, we propose online prototype equilibrium to learn representative features against shortcut learning and discriminative features to avoid class confusion, ultimately achieving an equilibrium status that separates all seen classes well while learning new classes. Second, with the feedback of online prototypes, we devise a novel adaptive prototypical feedback mechanism to sense the classes that are easily misclassified and then enhance their boundaries. Extensive experimental results on widely-used benchmark datasets demonstrate the superior performance of OnPro over the state-of-the-art baseline methods. Source code is available at https://github.com/weilllllls/OnPro.

SingularTrajectory: Universal Trajectory Predictor Using Diffusion Model

There are five types of trajectory prediction tasks: deterministic, stochastic, domain adaptation, momentary observation, and few-shot. These associated tasks are defined by various factors, such as the length of input paths, data split and pre-processing methods. Interestingly, even though they commonly take sequential coordinates of observations as input and infer future paths in the same coordinates as output, designing specialized architectures for each task is still necessary. For the other task, generality issues can lead to sub-optimal performances. In this paper, we propose SingularTrajectory, a diffusion-based universal trajectory prediction framework to reduce the performance gap across the five tasks. The core of SingularTrajectory is to unify a variety of human dynamics representations on the associated tasks. To do this, we first build a Singular space to project all types of motion patterns from each task into one embedding space. We next propose an adaptive anchor working in the Singular space. Unlike traditional fixed anchor methods that sometimes yield unacceptable paths, our adaptive anchor enables correct anchors, which are put into a wrong location, based on a traversability map. Finally, we adopt a diffusion-based predictor to further enhance the prototype paths using a cascaded denoising process. Our unified framework ensures the generality across various benchmark settings such as input modality, and trajectory lengths. Extensive experiments on five public benchmarks demonstrate that SingularTrajectory substantially outperforms existing models, highlighting its effectiveness in estimating general dynamics of human movements. Code is publicly available at https://github.com/inhwanbae/SingularTrajectory .

SkySense: A Multi-Modal Remote Sensing Foundation Model Towards Universal Interpretation for Earth Observation Imagery

Prior studies on Remote Sensing Foundation Model (RSFM) reveal immense potential towards a generic model for Earth Observation. Nevertheless, these works primarily focus on a single modality without temporal and geo-context modeling, hampering their capabilities for diverse tasks. In this study, we present SkySense, a generic billion-scale model, pre-trained on a curated multi-modal Remote Sensing Imagery (RSI) dataset with 21.5 million temporal sequences. SkySense incorporates a factorized multi-modal spatiotemporal encoder taking temporal sequences of optical and Synthetic Aperture Radar (SAR) data as input. This encoder is pre-trained by our proposed Multi-Granularity Contrastive Learning to learn representations across different modal and spatial granularities. To further enhance the RSI representations by the geo-context clue, we introduce Geo-Context Prototype Learning to learn region-aware prototypes upon RSI's multi-modal spatiotemporal features. To our best knowledge, SkySense is the largest Multi-Modal RSFM to date, whose modules can be flexibly combined or used individually to accommodate various tasks. It demonstrates remarkable generalization capabilities on a thorough evaluation encompassing 16 datasets over 7 tasks, from single- to multi-modal, static to temporal, and classification to localization. SkySense surpasses 18 recent RSFMs in all test scenarios. Specifically, it outperforms the latest models such as GFM, SatLas and Scale-MAE by a large margin, i.e., 2.76%, 3.67% and 3.61% on average respectively. We will release the pre-trained weights to facilitate future research and Earth Observation applications.

Practical Continual Forgetting for Pre-trained Vision Models

For privacy and security concerns, the need to erase unwanted information from pre-trained vision models is becoming evident nowadays. In real-world scenarios, erasure requests originate at any time from both users and model owners, and these requests usually form a sequence. Therefore, under such a setting, selective information is expected to be continuously removed from a pre-trained model while maintaining the rest. We define this problem as continual forgetting and identify three key challenges. (i) For unwanted knowledge, efficient and effective deleting is crucial. (ii) For remaining knowledge, the impact brought by the forgetting procedure should be minimal. (iii) In real-world scenarios, the training samples may be scarce or partially missing during the process of forgetting. To address them, we first propose Group Sparse LoRA (GS-LoRA). Specifically, towards (i), we introduce LoRA modules to fine-tune the FFN layers in Transformer blocks for each forgetting task independently, and towards (ii), a simple group sparse regularization is adopted, enabling automatic selection of specific LoRA groups and zeroing out the others. To further extend GS-LoRA to more practical scenarios, we incorporate prototype information as additional supervision and introduce a more practical approach, GS-LoRA++. For each forgotten class, we move the logits away from its original prototype. For the remaining classes, we pull the logits closer to their respective prototypes. We conduct extensive experiments on face recognition, object detection and image classification and demonstrate that our method manages to forget specific classes with minimal impact on other classes. Codes have been released on https://github.com/bjzhb666/GS-LoRA.

A Web-based Mpox Skin Lesion Detection System Using State-of-the-art Deep Learning Models Considering Racial Diversity

The recent 'Mpox' outbreak, formerly known as 'Monkeypox', has become a significant public health concern and has spread to over 110 countries globally. The challenge of clinically diagnosing mpox early on is due, in part, to its similarity to other types of rashes. Computer-aided screening tools have been proven valuable in cases where Polymerase Chain Reaction (PCR) based diagnosis is not immediately available. Deep learning methods are powerful in learning complex data representations, but their efficacy largely depends on adequate training data. To address this challenge, we present the "Mpox Skin Lesion Dataset Version 2.0 (MSLD v2.0)" as a follow-up to the previously released openly accessible dataset, one of the first datasets containing mpox lesion images. This dataset contains images of patients with mpox and five other non-mpox classes (chickenpox, measles, hand-foot-mouth disease, cowpox, and healthy). We benchmark the performance of several state-of-the-art deep learning models, including VGG16, ResNet50, DenseNet121, MobileNetV2, EfficientNetB3, InceptionV3, and Xception, to classify mpox and other infectious skin diseases. In order to reduce the impact of racial bias, we utilize a color space data augmentation method to increase skin color variability during training. Additionally, by leveraging transfer learning implemented with pre-trained weights generated from the HAM10000 dataset, an extensive collection of pigmented skin lesion images, we achieved the best overall accuracy of 83.59pm2.11%. Finally, the developed models are incorporated within a prototype web application to analyze uploaded skin images by a user and determine whether a subject is a suspected mpox patient.

Revisiting Class-Incremental Learning with Pre-Trained Models: Generalizability and Adaptivity are All You Need

Class-incremental learning (CIL) aims to adapt to emerging new classes without forgetting old ones. Traditional CIL models are trained from scratch to continually acquire knowledge as data evolves. Recently, pre-training has achieved substantial progress, making vast pre-trained models (PTMs) accessible for CIL. Contrary to traditional methods, PTMs possess generalizable embeddings, which can be easily transferred. In this work, we revisit CIL with PTMs and argue that the core factors in CIL are adaptivity for model updating and generalizability for knowledge transferring. 1) We first reveal that frozen PTM can already provide generalizable embeddings for CIL. Surprisingly, a simple baseline (SimpleCIL) which continually sets the classifiers of PTM to prototype features can beat state-of-the-art even without training on the downstream task. 2) Due to the distribution gap between pre-trained and downstream datasets, PTM can be further cultivated with adaptivity via model adapting. We propose ADapt And Merge (ADAM), which aggregates the embeddings of PTM and adapted models for classifier construction. ADAM is a general framework that can be orthogonally combined with any parameter-efficient tuning method, which holds the advantages of PTM's generalizability and adapted model's adaptivity. 3) Additionally, we find previous benchmarks are unsuitable in the era of PTM due to data overlapping and propose four new benchmarks for assessment, namely ImageNet-A, ObjectNet, OmniBenchmark, and VTAB. Extensive experiments validate the effectiveness of ADAM with a unified and concise framework.

ProtoOcc: Accurate, Efficient 3D Occupancy Prediction Using Dual Branch Encoder-Prototype Query Decoder

In this paper, we introduce ProtoOcc, a novel 3D occupancy prediction model designed to predict the occupancy states and semantic classes of 3D voxels through a deep semantic understanding of scenes. ProtoOcc consists of two main components: the Dual Branch Encoder (DBE) and the Prototype Query Decoder (PQD). The DBE produces a new 3D voxel representation by combining 3D voxel and BEV representations across multiple scales through a dual branch structure. This design enhances both performance and computational efficiency by providing a large receptive field for the BEV representation while maintaining a smaller receptive field for the voxel representation. The PQD introduces Prototype Queries to accelerate the decoding process. Scene-Adaptive Prototypes are derived from the 3D voxel features of input sample, while Scene-Agnostic Prototypes are computed by applying Scene-Adaptive Prototypes to an Exponential Moving Average during the training phase. By using these prototype-based queries for decoding, we can directly predict 3D occupancy in a single step, eliminating the need for iterative Transformer decoding. Additionally, we propose the Robust Prototype Learning, which injects noise into prototype generation process and trains the model to denoise during the training phase. ProtoOcc achieves state-of-the-art performance with 45.02% mIoU on the Occ3D-nuScenes benchmark. For single-frame method, it reaches 39.56% mIoU with an inference speed of 12.83 FPS on an NVIDIA RTX 3090. Our code can be found at https://github.com/SPA-junghokim/ProtoOcc.

Few-Shot Class-Incremental Learning via Training-Free Prototype Calibration

Real-world scenarios are usually accompanied by continuously appearing classes with scare labeled samples, which require the machine learning model to incrementally learn new classes and maintain the knowledge of base classes. In this Few-Shot Class-Incremental Learning (FSCIL) scenario, existing methods either introduce extra learnable components or rely on a frozen feature extractor to mitigate catastrophic forgetting and overfitting problems. However, we find a tendency for existing methods to misclassify the samples of new classes into base classes, which leads to the poor performance of new classes. In other words, the strong discriminability of base classes distracts the classification of new classes. To figure out this intriguing phenomenon, we observe that although the feature extractor is only trained on base classes, it can surprisingly represent the semantic similarity between the base and unseen new classes. Building upon these analyses, we propose a simple yet effective Training-frEE calibratioN (TEEN) strategy to enhance the discriminability of new classes by fusing the new prototypes (i.e., mean features of a class) with weighted base prototypes. In addition to standard benchmarks in FSCIL, TEEN demonstrates remarkable performance and consistent improvements over baseline methods in the few-shot learning scenario. Code is available at: https://github.com/wangkiw/TEEN

What's In Your Field? Mapping Scientific Research with Knowledge Graphs and Large Language Models

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.

3D radio data visualisation in open science platforms for next-generation observatories

Next-generation telescopes will bring groundbreaking discoveries but they will also present new technological challenges. The Square Kilometre Array Observatory (SKAO) will be one of the most demanding scientific infrastructures, with a projected data output of 700 PB per year to be distributed to a network of SKA Regional Centres. Current tools are not fully suited to manage such massive data volumes, therefore, new research is required to transform science archives from data providers into service providers. In this paper we examine how a science archive can deliver advanced visualisation capabilities for the SKA science archive. In particular, we have conducted a thorough exploration of existing visualisation software for astronomy and other fields to identify tools capable of addressing Big Data requirements. Using selected technologies, we have developed a prototype archive that provides access to interactive visualisations of 3D radio data through web-based interfaces, adhering to International Virtual Observatory Alliance (IVOA) recommendations to favour interoperability and Open Science practices. In addition, we discuss how current IVOA recommendations support these visualisation capabilities and how they could be expanded. Our prototype archive includes a service to generate 3D models on the fly as a server operation, enabling remote visualisations in a flexible manner; for instance, a set of parameters can be used to customise the models and their visualisation. We have used SKA precursor and pathfinder data to test its usability and scalability, concluding that remote visualisation is a viable solution for handling high-volume data. However, our prototype is constrained by memory limitations, requiring techniques to reduce memory usage.

ProtoECGNet: Case-Based Interpretable Deep Learning for Multi-Label ECG Classification with Contrastive Learning

Deep learning-based electrocardiogram (ECG) classification has shown impressive performance but clinical adoption has been slowed by the lack of transparent and faithful explanations. Post hoc methods such as saliency maps may fail to reflect a model's true decision process. Prototype-based reasoning offers a more transparent alternative by grounding decisions in similarity to learned representations of real ECG segments, enabling faithful, case-based explanations. We introduce ProtoECGNet, a prototype-based deep learning model for interpretable, multi-label ECG classification. ProtoECGNet employs a structured, multi-branch architecture that reflects clinical interpretation workflows: it integrates a 1D CNN with global prototypes for rhythm classification, a 2D CNN with time-localized prototypes for morphology-based reasoning, and a 2D CNN with global prototypes for diffuse abnormalities. Each branch is trained with a prototype loss designed for multi-label learning, combining clustering, separation, diversity, and a novel contrastive loss that encourages appropriate separation between prototypes of unrelated classes while allowing clustering for frequently co-occurring diagnoses. We evaluate ProtoECGNet on all 71 diagnostic labels from the PTB-XL dataset, demonstrating competitive performance relative to state-of-the-art black-box models while providing structured, case-based explanations. To assess prototype quality, we conduct a structured clinician review of the final model's projected prototypes, finding that they are rated as representative and clear. ProtoECGNet shows that prototype learning can be effectively scaled to complex, multi-label time-series classification, offering a practical path toward transparent and trustworthy deep learning models for clinical decision support.

ERASE: Error-Resilient Representation Learning on Graphs for Label Noise Tolerance

Deep learning has achieved remarkable success in graph-related tasks, yet this accomplishment heavily relies on large-scale high-quality annotated datasets. However, acquiring such datasets can be cost-prohibitive, leading to the practical use of labels obtained from economically efficient sources such as web searches and user tags. Unfortunately, these labels often come with noise, compromising the generalization performance of deep networks. To tackle this challenge and enhance the robustness of deep learning models against label noise in graph-based tasks, we propose a method called ERASE (Error-Resilient representation learning on graphs for lAbel noiSe tolerancE). The core idea of ERASE is to learn representations with error tolerance by maximizing coding rate reduction. Particularly, we introduce a decoupled label propagation method for learning representations. Before training, noisy labels are pre-corrected through structural denoising. During training, ERASE combines prototype pseudo-labels with propagated denoised labels and updates representations with error resilience, which significantly improves the generalization performance in node classification. The proposed method allows us to more effectively withstand errors caused by mislabeled nodes, thereby strengthening the robustness of deep networks in handling noisy graph data. Extensive experimental results show that our method can outperform multiple baselines with clear margins in broad noise levels and enjoy great scalability. Codes are released at https://github.com/eraseai/erase.

DriveGEN: Generalized and Robust 3D Detection in Driving via Controllable Text-to-Image Diffusion Generation

In autonomous driving, vision-centric 3D detection aims to identify 3D objects from images. However, high data collection costs and diverse real-world scenarios limit the scale of training data. Once distribution shifts occur between training and test data, existing methods often suffer from performance degradation, known as Out-of-Distribution (OOD) problems. To address this, controllable Text-to-Image (T2I) diffusion offers a potential solution for training data enhancement, which is required to generate diverse OOD scenarios with precise 3D object geometry. Nevertheless, existing controllable T2I approaches are restricted by the limited scale of training data or struggle to preserve all annotated 3D objects. In this paper, we present DriveGEN, a method designed to improve the robustness of 3D detectors in Driving via Training-Free Controllable Text-to-Image Diffusion Generation. Without extra diffusion model training, DriveGEN consistently preserves objects with precise 3D geometry across diverse OOD generations, consisting of 2 stages: 1) Self-Prototype Extraction: We empirically find that self-attention features are semantic-aware but require accurate region selection for 3D objects. Thus, we extract precise object features via layouts to capture 3D object geometry, termed self-prototypes. 2) Prototype-Guided Diffusion: To preserve objects across various OOD scenarios, we perform semantic-aware feature alignment and shallow feature alignment during denoising. Extensive experiments demonstrate the effectiveness of DriveGEN in improving 3D detection. The code is available at https://github.com/Hongbin98/DriveGEN.

Informative Data Mining for One-Shot Cross-Domain Semantic Segmentation

Contemporary domain adaptation offers a practical solution for achieving cross-domain transfer of semantic segmentation between labeled source data and unlabeled target data. These solutions have gained significant popularity; however, they require the model to be retrained when the test environment changes. This can result in unbearable costs in certain applications due to the time-consuming training process and concerns regarding data privacy. One-shot domain adaptation methods attempt to overcome these challenges by transferring the pre-trained source model to the target domain using only one target data. Despite this, the referring style transfer module still faces issues with computation cost and over-fitting problems. To address this problem, we propose a novel framework called Informative Data Mining (IDM) that enables efficient one-shot domain adaptation for semantic segmentation. Specifically, IDM provides an uncertainty-based selection criterion to identify the most informative samples, which facilitates quick adaptation and reduces redundant training. We then perform a model adaptation method using these selected samples, which includes patch-wise mixing and prototype-based information maximization to update the model. This approach effectively enhances adaptation and mitigates the overfitting problem. In general, we provide empirical evidence of the effectiveness and efficiency of IDM. Our approach outperforms existing methods and achieves a new state-of-the-art one-shot performance of 56.7\%/55.4\% on the GTA5/SYNTHIA to Cityscapes adaptation tasks, respectively. The code will be released at https://github.com/yxiwang/IDM.

Overview of the SDSS-IV MaNGA Survey: Mapping Nearby Galaxies at Apache Point Observatory

We present an overview of a new integral field spectroscopic survey called MaNGA (Mapping Nearby Galaxies at Apache Point Observatory), one of three core programs in the fourth-generation Sloan Digital Sky Survey (SDSS-IV) that began on 2014 July 1. MaNGA will investigate the internal kinematic structure and composition of gas and stars in an unprecedented sample of 10,000 nearby galaxies. We summarize essential characteristics of the instrument and survey design in the context of MaNGA's key science goals and present prototype observations to demonstrate MaNGA's scientific potential. MaNGA employs dithered observations with 17 fiber-bundle integral field units that vary in diameter from 12" (19 fibers) to 32" (127 fibers). Two dual-channel spectrographs provide simultaneous wavelength coverage over 3600-10300 A at R~2000. With a typical integration time of 3 hr, MaNGA reaches a target r-band signal-to-noise ratio of 4-8 (per A, per 2" fiber) at 23 AB mag per sq. arcsec, which is typical for the outskirts of MaNGA galaxies. Targets are selected with stellar mass greater than 1e9 Msun using SDSS-I redshifts and i-band luminosity to achieve uniform radial coverage in terms of the effective radius, an approximately flat distribution in stellar mass, and a sample spanning a wide range of environments. Analysis of our prototype observations demonstrates MaNGA's ability to probe gas ionization, shed light on recent star formation and quenching, enable dynamical modeling, decompose constituent components, and map the composition of stellar populations. MaNGA's spatially resolved spectra will enable an unprecedented study of the astrophysics of nearby galaxies in the coming 6 yr.

Applying Spatiotemporal Attention to Identify Distracted and Drowsy Driving with Vision Transformers

A 20% rise in car crashes in 2021 compared to 2020 has been observed as a result of increased distraction and drowsiness. Drowsy and distracted driving are the cause of 45% of all car crashes. As a means to decrease drowsy and distracted driving, detection methods using computer vision can be designed to be low-cost, accurate, and minimally invasive. This work investigated the use of the vision transformer to outperform state-of-the-art accuracy from 3D-CNNs. Two separate transformers were trained for drowsiness and distractedness. The drowsy video transformer model was trained on the National Tsing-Hua University Drowsy Driving Dataset (NTHU-DDD) with a Video Swin Transformer model for 10 epochs on two classes -- drowsy and non-drowsy simulated over 10.5 hours. The distracted video transformer was trained on the Driver Monitoring Dataset (DMD) with Video Swin Transformer for 50 epochs over 9 distraction-related classes. The accuracy of the drowsiness model reached 44% and a high loss value on the test set, indicating overfitting and poor model performance. Overfitting indicates limited training data and applied model architecture lacked quantifiable parameters to learn. The distracted model outperformed state-of-the-art models on DMD reaching 97.5%, indicating that with sufficient data and a strong architecture, transformers are suitable for unfit driving detection. Future research should use newer and stronger models such as TokenLearner to achieve higher accuracy and efficiency, merge existing datasets to expand to detecting drunk driving and road rage to create a comprehensive solution to prevent traffic crashes, and deploying a functioning prototype to revolutionize the automotive safety industry.

Federated Reconnaissance: Efficient, Distributed, Class-Incremental Learning

We describe federated reconnaissance, a class of learning problems in which distributed clients learn new concepts independently and communicate that knowledge efficiently. In particular, we propose an evaluation framework and methodological baseline for a system in which each client is expected to learn a growing set of classes and communicate knowledge of those classes efficiently with other clients, such that, after knowledge merging, the clients should be able to accurately discriminate between classes in the superset of classes observed by the set of clients. We compare a range of learning algorithms for this problem and find that prototypical networks are a strong approach in that they are robust to catastrophic forgetting while incorporating new information efficiently. Furthermore, we show that the online averaging of prototype vectors is effective for client model merging and requires only a small amount of communication overhead, memory, and update time per class with no gradient-based learning or hyperparameter tuning. Additionally, to put our results in context, we find that a simple, prototypical network with four convolutional layers significantly outperforms complex, state of the art continual learning algorithms, increasing the accuracy by over 22% after learning 600 Omniglot classes and over 33% after learning 20 mini-ImageNet classes incrementally. These results have important implications for federated reconnaissance and continual learning more generally by demonstrating that communicating feature vectors is an efficient, robust, and effective means for distributed, continual learning.

Learning with Mixture of Prototypes for Out-of-Distribution Detection

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g, modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) which models each class with multiple prototypes to capture the sample diversities, and learns more faithful and compact samples embeddings to enhance OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to be compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark. Code is available at https://github.com/jeff024/PALM.

ProtoReasoning: Prototypes as the Foundation for Generalizable Reasoning in LLMs

Recent advances in Large Reasoning Models (LRMs) trained with Long Chain-of-Thought (Long CoT) reasoning have demonstrated remarkable cross-domain generalization capabilities. However, the underlying mechanisms supporting such transfer remain poorly understood. We hypothesize that cross-domain generalization arises from shared abstract reasoning prototypes -- fundamental reasoning patterns that capture the essence of problems across domains. These prototypes minimize the nuances of the representation, revealing that seemingly diverse tasks are grounded in shared reasoning structures.Based on this hypothesis, we propose ProtoReasoning, a framework that enhances the reasoning ability of LLMs by leveraging scalable and verifiable prototypical representations (Prolog for logical reasoning, PDDL for planning).ProtoReasoning features: (1) an automated prototype construction pipeline that transforms problems into corresponding prototype representations; (2) a comprehensive verification system providing reliable feedback through Prolog/PDDL interpreters; (3) the scalability to synthesize problems arbitrarily within prototype space while ensuring correctness. Extensive experiments show that ProtoReasoning achieves 4.7% improvement over baseline models on logical reasoning (Enigmata-Eval), 6.3% improvement on planning tasks, 4.0% improvement on general reasoning (MMLU) and 1.0% on mathematics (AIME24). Significantly, our ablation studies confirm that learning in prototype space also demonstrates enhanced generalization to structurally similar problems compared to training solely on natural language representations, validating our hypothesis that reasoning prototypes serve as the foundation for generalizable reasoning in large language models.

Multi-Scale Grouped Prototypes for Interpretable Semantic Segmentation

Prototypical part learning is emerging as a promising approach for making semantic segmentation interpretable. The model selects real patches seen during training as prototypes and constructs the dense prediction map based on the similarity between parts of the test image and the prototypes. This improves interpretability since the user can inspect the link between the predicted output and the patterns learned by the model in terms of prototypical information. In this paper, we propose a method for interpretable semantic segmentation that leverages multi-scale image representation for prototypical part learning. First, we introduce a prototype layer that explicitly learns diverse prototypical parts at several scales, leading to multi-scale representations in the prototype activation output. Then, we propose a sparse grouping mechanism that produces multi-scale sparse groups of these scale-specific prototypical parts. This provides a deeper understanding of the interactions between multi-scale object representations while enhancing the interpretability of the segmentation model. The experiments conducted on Pascal VOC, Cityscapes, and ADE20K demonstrate that the proposed method increases model sparsity, improves interpretability over existing prototype-based methods, and narrows the performance gap with the non-interpretable counterpart models. Code is available at github.com/eceo-epfl/ScaleProtoSeg.

Anti-Money Laundering in Bitcoin: Experimenting with Graph Convolutional Networks for Financial Forensics

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.

Learning Support and Trivial Prototypes for Interpretable Image Classification

Prototypical part network (ProtoPNet) methods have been designed to achieve interpretable classification by associating predictions with a set of training prototypes, which we refer to as trivial prototypes because they are trained to lie far from the classification boundary in the feature space. Note that it is possible to make an analogy between ProtoPNet and support vector machine (SVM) given that the classification from both methods relies on computing similarity with a set of training points (i.e., trivial prototypes in ProtoPNet, and support vectors in SVM). However, while trivial prototypes are located far from the classification boundary, support vectors are located close to this boundary, and we argue that this discrepancy with the well-established SVM theory can result in ProtoPNet models with inferior classification accuracy. In this paper, we aim to improve the classification of ProtoPNet with a new method to learn support prototypes that lie near the classification boundary in the feature space, as suggested by the SVM theory. In addition, we target the improvement of classification results with a new model, named ST-ProtoPNet, which exploits our support prototypes and the trivial prototypes to provide more effective classification. Experimental results on CUB-200-2011, Stanford Cars, and Stanford Dogs datasets demonstrate that ST-ProtoPNet achieves state-of-the-art classification accuracy and interpretability results. We also show that the proposed support prototypes tend to be better localised in the object of interest rather than in the background region.

Uncertainty-Aware Explanations Through Probabilistic Self-Explainable Neural Networks

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

On the Opportunities and Risks of Foundation Models

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

Tryage: Real-time, intelligent Routing of User Prompts to Large Language Models

The introduction of the transformer architecture and the self-attention mechanism has led to an explosive production of language models trained on specific downstream tasks and data domains. With over 200, 000 models in the Hugging Face ecosystem, users grapple with selecting and optimizing models to suit multifaceted workflows and data domains while addressing computational, security, and recency concerns. There is an urgent need for machine learning frameworks that can eliminate the burden of model selection and customization and unleash the incredible power of the vast emerging model library for end users. Here, we propose a context-aware routing system, Tryage, that leverages a language model router for optimal selection of expert models from a model library based on analysis of individual input prompts. Inspired by the thalamic router in the brain, Tryage employs a perceptive router to predict down-stream model performance on prompts and, then, makes a routing decision using an objective function that integrates performance predictions with user goals and constraints that are incorporated through flags (e.g., model size, model recency). Tryage allows users to explore a Pareto front and automatically trade-off between task accuracy and secondary goals including minimization of model size, recency, security, verbosity, and readability. Across heterogeneous data sets that include code, text, clinical data, and patents, the Tryage framework surpasses Gorilla and GPT3.5 turbo in dynamic model selection identifying the optimal model with an accuracy of 50.9% , compared to 23.6% by GPT 3.5 Turbo and 10.8% by Gorilla. Conceptually, Tryage demonstrates how routing models can be applied to program and control the behavior of multi-model LLM systems to maximize efficient use of the expanding and evolving language model ecosystem.

Generative Logic: A New Computer Architecture for Deterministic Reasoning and Knowledge Generation

We present Generative Logic (GL), a deterministic architecture that begins from user-supplied axiomatic definitions -- written in a minimalist Mathematical Programming Language (MPL) -- and systematically explores their deductive neighborhood. Definitions are compiled into a distributed grid of simple Logic Blocks (LBs) that exchange messages; any time several expressions unify under an inference rule, a new fact is emitted with full provenance to its sources, yielding replayable, auditable proof graphs. A prototype software implementation instantiates the workflow on first-order Peano arithmetic. Starting only from the Peano axioms, GL enumerates candidate implications, applies normalization and type filters, and automatically reconstructs machine-checkable proofs of foundational arithmetic laws including associativity and commutativity of addition, associativity and commutativity of multiplication, and distributivity. Generated proofs export to navigable HTML so that every inference step can be inspected independently. We outline a hardware-software co-design path toward massively parallel realizations and describe prospective integration with probabilistic models (e.g., Large Language Models (LLMs)) for autoformalization and conjecture seeding. The Python and MPL code to reproduce the Peano experiments, along with the full HTML proof graphs, are available in the project's GitHub repository at https://github.com/Generative-Logic/GL/tree/35a111ea9ba53afe051703d6050be0c3923e9724 and are permanently archived at https://doi.org/10.5281/zenodo.16408441. We invite community feedback and collaboration.

Foundation Models for Decision Making: Problems, Methods, and Opportunities

Foundation models pretrained on diverse data at scale have demonstrated extraordinary capabilities in a wide range of vision and language tasks. When such models are deployed in real world environments, they inevitably interface with other entities and agents. For example, language models are often used to interact with human beings through dialogue, and visual perception models are used to autonomously navigate neighborhood streets. In response to these developments, new paradigms are emerging for training foundation models to interact with other agents and perform long-term reasoning. These paradigms leverage the existence of ever-larger datasets curated for multimodal, multitask, and generalist interaction. Research at the intersection of foundation models and decision making holds tremendous promise for creating powerful new systems that can interact effectively across a diverse range of applications such as dialogue, autonomous driving, healthcare, education, and robotics. In this manuscript, we examine the scope of foundation models for decision making, and provide conceptual tools and technical background for understanding the problem space and exploring new research directions. We review recent approaches that ground foundation models in practical decision making applications through a variety of methods such as prompting, conditional generative modeling, planning, optimal control, and reinforcement learning, and discuss common challenges and open problems in the field.

Generative Marginalization Models

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

GraphFM: A Comprehensive Benchmark for Graph Foundation Model

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

Foundation Models in Robotics: Applications, Challenges, and the Future

We survey applications of pretrained foundation models in robotics. Traditional deep learning models in robotics are trained on small datasets tailored for specific tasks, which limits their adaptability across diverse applications. In contrast, foundation models pretrained on internet-scale data appear to have superior generalization capabilities, and in some instances display an emergent ability to find zero-shot solutions to problems that are not present in the training data. Foundation models may hold the potential to enhance various components of the robot autonomy stack, from perception to decision-making and control. For example, large language models can generate code or provide common sense reasoning, while vision-language models enable open-vocabulary visual recognition. However, significant open research challenges remain, particularly around the scarcity of robot-relevant training data, safety guarantees and uncertainty quantification, and real-time execution. In this survey, we study recent papers that have used or built foundation models to solve robotics problems. We explore how foundation models contribute to improving robot capabilities in the domains of perception, decision-making, and control. We discuss the challenges hindering the adoption of foundation models in robot autonomy and provide opportunities and potential pathways for future advancements. The GitHub project corresponding to this paper (Preliminary release. We are committed to further enhancing and updating this work to ensure its quality and relevance) can be found here: https://github.com/robotics-survey/Awesome-Robotics-Foundation-Models

Octopus v4: Graph of language models

Language models have been effective in a wide range of applications, yet the most sophisticated models are often proprietary. For example, GPT-4 by OpenAI and various models by Anthropic are expensive and consume substantial energy. In contrast, the open-source community has produced competitive models, like Llama3. Furthermore, niche-specific smaller language models, such as those tailored for legal, medical or financial tasks, have outperformed their proprietary counterparts. This paper introduces a novel approach that employs functional tokens to integrate multiple open-source models, each optimized for particular tasks. Our newly developed Octopus v4 model leverages functional tokens to intelligently direct user queries to the most appropriate vertical model and reformat the query to achieve the best performance. Octopus v4, an evolution of the Octopus v1, v2, and v3 models, excels in selection and parameter understanding and reformatting. Additionally, we explore the use of graph as a versatile data structure that effectively coordinates multiple open-source models by harnessing the capabilities of the Octopus model and functional tokens. Use our open-sourced GitHub (https://www.nexa4ai.com/) to try Octopus v4 models (https://huggingface.co/NexaAIDev/Octopus-v4), and contrite to a larger graph of language models. By activating models less than 10B parameters, we achieved SOTA MMLU score of 74.8 among the same level models.

Foundation Models for Natural Language Processing -- Pre-trained Language Models Integrating Media

This open access book provides a comprehensive overview of the state of the art in research and applications of Foundation Models and is intended for readers familiar with basic Natural Language Processing (NLP) concepts. Over the recent years, a revolutionary new paradigm has been developed for training models for NLP. These models are first pre-trained on large collections of text documents to acquire general syntactic knowledge and semantic information. Then, they are fine-tuned for specific tasks, which they can often solve with superhuman accuracy. When the models are large enough, they can be instructed by prompts to solve new tasks without any fine-tuning. Moreover, they can be applied to a wide range of different media and problem domains, ranging from image and video processing to robot control learning. Because they provide a blueprint for solving many tasks in artificial intelligence, they have been called Foundation Models. After a brief introduction to basic NLP models the main pre-trained language models BERT, GPT and sequence-to-sequence transformer are described, as well as the concepts of self-attention and context-sensitive embedding. Then, different approaches to improving these models are discussed, such as expanding the pre-training criteria, increasing the length of input texts, or including extra knowledge. An overview of the best-performing models for about twenty application areas is then presented, e.g., question answering, translation, story generation, dialog systems, generating images from text, etc. For each application area, the strengths and weaknesses of current models are discussed, and an outlook on further developments is given. In addition, links are provided to freely available program code. A concluding chapter summarizes the economic opportunities, mitigation of risks, and potential developments of AI.

Tool Learning with Foundation Models

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

Deep Learning for Case-Based Reasoning through Prototypes: A Neural Network that Explains Its Predictions

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

How Far is Video Generation from World Model: A Physical Law Perspective

OpenAI's Sora highlights the potential of video generation for developing world models that adhere to fundamental physical laws. However, the ability of video generation models to discover such laws purely from visual data without human priors can be questioned. A world model learning the true law should give predictions robust to nuances and correctly extrapolate on unseen scenarios. In this work, we evaluate across three key scenarios: in-distribution, out-of-distribution, and combinatorial generalization. We developed a 2D simulation testbed for object movement and collisions to generate videos deterministically governed by one or more classical mechanics laws. This provides an unlimited supply of data for large-scale experimentation and enables quantitative evaluation of whether the generated videos adhere to physical laws. We trained diffusion-based video generation models to predict object movements based on initial frames. Our scaling experiments show perfect generalization within the distribution, measurable scaling behavior for combinatorial generalization, but failure in out-of-distribution scenarios. Further experiments reveal two key insights about the generalization mechanisms of these models: (1) the models fail to abstract general physical rules and instead exhibit "case-based" generalization behavior, i.e., mimicking the closest training example; (2) when generalizing to new cases, models are observed to prioritize different factors when referencing training data: color > size > velocity > shape. Our study suggests that scaling alone is insufficient for video generation models to uncover fundamental physical laws, despite its role in Sora's broader success. See our project page at https://phyworld.github.io

Fine-tuning large language models for domain adaptation: Exploration of training strategies, scaling, model merging and synergistic capabilities

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In this work, we explore the effects of Continued Pretraining (CPT), Supervised Fine-Tuning (SFT), and various preference-based optimization approaches, including Direct Preference Optimization (DPO) and Odds Ratio Preference Optimization (ORPO), on fine-tuned LLM performance. Our analysis shows how these strategies influence model outcomes and reveals that the merging of multiple fine-tuned models can lead to the emergence of capabilities that surpass the individual contributions of the parent models. We find that model merging leads to new functionalities that neither parent model could achieve alone, leading to improved performance in domain-specific assessments. Experiments with different model architectures are presented, including Llama 3.1 8B and Mistral 7B models, where similar behaviors are observed. Exploring whether the results hold also for much smaller models, we use a tiny LLM with 1.7 billion parameters and show that very small LLMs do not necessarily feature emergent capabilities under model merging, suggesting that model scaling may be a key component. In open-ended yet consistent chat conversations between a human and AI models, our assessment reveals detailed insights into how different model variants perform and show that the smallest model achieves a high intelligence score across key criteria including reasoning depth, creativity, clarity, and quantitative precision. Other experiments include the development of image generation prompts based on disparate biological material design concepts, to create new microstructures, architectural concepts, and urban design based on biological materials-inspired construction principles.

Model Cards for Model Reporting

Trained machine learning models are increasingly used to perform high-impact tasks in areas such as law enforcement, medicine, education, and employment. In order to clarify the intended use cases of machine learning models and minimize their usage in contexts for which they are not well suited, we recommend that released models be accompanied by documentation detailing their performance characteristics. In this paper, we propose a framework that we call model cards, to encourage such transparent model reporting. Model cards are short documents accompanying trained machine learning models that provide benchmarked evaluation in a variety of conditions, such as across different cultural, demographic, or phenotypic groups (e.g., race, geographic location, sex, Fitzpatrick skin type) and intersectional groups (e.g., age and race, or sex and Fitzpatrick skin type) that are relevant to the intended application domains. Model cards also disclose the context in which models are intended to be used, details of the performance evaluation procedures, and other relevant information. While we focus primarily on human-centered machine learning models in the application fields of computer vision and natural language processing, this framework can be used to document any trained machine learning model. To solidify the concept, we provide cards for two supervised models: One trained to detect smiling faces in images, and one trained to detect toxic comments in text. We propose model cards as a step towards the responsible democratization of machine learning and related AI technology, increasing transparency into how well AI technology works. We hope this work encourages those releasing trained machine learning models to accompany model releases with similar detailed evaluation numbers and other relevant documentation.

Compressing Pre-trained Models of Code into 3 MB

Although large pre-trained models of code have delivered significant advancements in various code processing tasks, there is an impediment to the wide and fluent adoption of these powerful models in software developers' daily workflow: these large models consume hundreds of megabytes of memory and run slowly on personal devices, which causes problems in model deployment and greatly degrades the user experience. It motivates us to propose Compressor, a novel approach that can compress the pre-trained models of code into extremely small models with negligible performance sacrifice. Our proposed method formulates the design of tiny models as simplifying the pre-trained model architecture: searching for a significantly smaller model that follows an architectural design similar to the original pre-trained model. Compressor proposes a genetic algorithm (GA)-based strategy to guide the simplification process. Prior studies found that a model with higher computational cost tends to be more powerful. Inspired by this insight, the GA algorithm is designed to maximize a model's Giga floating-point operations (GFLOPs), an indicator of the model computational cost, to satisfy the constraint of the target model size. Then, we use the knowledge distillation technique to train the small model: unlabelled data is fed into the large model and the outputs are used as labels to train the small model. We evaluate Compressor with two state-of-the-art pre-trained models, i.e., CodeBERT and GraphCodeBERT, on two important tasks, i.e., vulnerability prediction and clone detection. We use our method to compress pre-trained models to a size (3 MB), which is 160times smaller than the original size. The results show that compressed CodeBERT and GraphCodeBERT are 4.31times and 4.15times faster than the original model at inference, respectively. More importantly, ...

Prototype-Sample Relation Distillation: Towards Replay-Free Continual Learning

In Continual learning (CL) balancing effective adaptation while combating catastrophic forgetting is a central challenge. Many of the recent best-performing methods utilize various forms of prior task data, e.g. a replay buffer, to tackle the catastrophic forgetting problem. Having access to previous task data can be restrictive in many real-world scenarios, for example when task data is sensitive or proprietary. To overcome the necessity of using previous tasks' data, in this work, we start with strong representation learning methods that have been shown to be less prone to forgetting. We propose a holistic approach to jointly learn the representation and class prototypes while maintaining the relevance of old class prototypes and their embedded similarities. Specifically, samples are mapped to an embedding space where the representations are learned using a supervised contrastive loss. Class prototypes are evolved continually in the same latent space, enabling learning and prediction at any point. To continually adapt the prototypes without keeping any prior task data, we propose a novel distillation loss that constrains class prototypes to maintain relative similarities as compared to new task data. This method yields state-of-the-art performance in the task-incremental setting, outperforming methods relying on large amounts of data, and provides strong performance in the class-incremental setting without using any stored data points.

Model Breadcrumbs: Scaling Multi-Task Model Merging with Sparse Masks

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

Expanding continual few-shot learning benchmarks to include recognition of specific instances

Continual learning and few-shot learning are important frontiers in progress towards broader Machine Learning (ML) capabilities. There is a growing body of work in both, but few works combining the two. One exception is the Continual few-shot Learning (CFSL) framework of Antoniou et al. arXiv:2004.11967. In this study, we extend CFSL in two ways that capture a broader range of challenges, important for intelligent agent behaviour in real-world conditions. First, we modify CFSL to make it more comparable to standard continual learning experiments, where usually a much larger number of classes are presented. Second, we introduce an 'instance test' which requires recognition of specific instances of classes -- a capability of animal cognition that is usually neglected in ML. For an initial exploration of ML model performance under these conditions, we selected representative baseline models from the original CFSL work and added a model variant with replay. As expected, learning more classes is more difficult than the original CFSL experiments, and interestingly, the way in which image instances and classes are presented affects classification performance. Surprisingly, accuracy in the baseline instance test is comparable to other classification tasks, but poor given significant occlusion and noise. The use of replay for consolidation improves performance substantially for both types of tasks, but particularly the instance test.

ComPile: A Large IR Dataset from Production Sources

Code is increasingly becoming a core data modality of modern machine learning research impacting not only the way we write code with conversational agents like OpenAI's ChatGPT, Google's Bard, or Anthropic's Claude, the way we translate code from one language into another, but also the compiler infrastructure underlying the language. While modeling approaches may vary and representations differ, the targeted tasks often remain the same within the individual classes of models. Relying solely on the ability of modern models to extract information from unstructured code does not take advantage of 70 years of programming language and compiler development by not utilizing the structure inherent to programs in the data collection. This detracts from the performance of models working over a tokenized representation of input code and precludes the use of these models in the compiler itself. To work towards the first intermediate representation (IR) based models, we fully utilize the LLVM compiler infrastructure, shared by a number of languages, to generate a 182B token dataset of LLVM IR. We generated this dataset from programming languages built on the shared LLVM infrastructure, including Rust, Swift, Julia, and C/C++, by hooking into LLVM code generation either through the language's package manager or the compiler directly to extract the dataset of intermediate representations from production grade programs. Statistical analysis proves the utility of our dataset not only for large language model training, but also for the introspection into the code generation process itself with the dataset showing great promise for machine-learned compiler components.

MarS: a Financial Market Simulation Engine Powered by Generative Foundation Model

Generative models aim to simulate realistic effects of various actions across different contexts, from text generation to visual effects. Despite significant efforts to build real-world simulators, the application of generative models to virtual worlds, like financial markets, remains under-explored. In financial markets, generative models can simulate complex market effects of participants with various behaviors, enabling interaction under different market conditions, and training strategies without financial risk. This simulation relies on the finest structured data in financial market like orders thus building the finest realistic simulation. We propose Large Market Model (LMM), an order-level generative foundation model, for financial market simulation, akin to language modeling in the digital world. Our financial Market Simulation engine (MarS), powered by LMM, addresses the domain-specific need for realistic, interactive and controllable order generation. Key observations include LMM's strong scalability across data size and model complexity, and MarS's robust and practicable realism in controlled generation with market impact. We showcase MarS as a forecast tool, detection system, analysis platform, and agent training environment, thus demonstrating MarS's "paradigm shift" potential for a variety of financial applications. We release the code of MarS at https://github.com/microsoft/MarS/.

On Sequential Bayesian Inference for Continual Learning

Sequential Bayesian inference can be used for continual learning to prevent catastrophic forgetting of past tasks and provide an informative prior when learning new tasks. We revisit sequential Bayesian inference and test whether having access to the true posterior is guaranteed to prevent catastrophic forgetting in Bayesian neural networks. To do this we perform sequential Bayesian inference using Hamiltonian Monte Carlo. We propagate the posterior as a prior for new tasks by fitting a density estimator on Hamiltonian Monte Carlo samples. We find that this approach fails to prevent catastrophic forgetting demonstrating the difficulty in performing sequential Bayesian inference in neural networks. From there we study simple analytical examples of sequential Bayesian inference and CL and highlight the issue of model misspecification which can lead to sub-optimal continual learning performance despite exact inference. Furthermore, we discuss how task data imbalances can cause forgetting. From these limitations, we argue that we need probabilistic models of the continual learning generative process rather than relying on sequential Bayesian inference over Bayesian neural network weights. In this vein, we also propose a simple baseline called Prototypical Bayesian Continual Learning, which is competitive with state-of-the-art Bayesian continual learning methods on class incremental continual learning vision benchmarks.

Generative AI for Medical Imaging: extending the MONAI Framework

Recent advances in generative AI have brought incredible breakthroughs in several areas, including medical imaging. These generative models have tremendous potential not only to help safely share medical data via synthetic datasets but also to perform an array of diverse applications, such as anomaly detection, image-to-image translation, denoising, and MRI reconstruction. However, due to the complexity of these models, their implementation and reproducibility can be difficult. This complexity can hinder progress, act as a use barrier, and dissuade the comparison of new methods with existing works. In this study, we present MONAI Generative Models, a freely available open-source platform that allows researchers and developers to easily train, evaluate, and deploy generative models and related applications. Our platform reproduces state-of-art studies in a standardised way involving different architectures (such as diffusion models, autoregressive transformers, and GANs), and provides pre-trained models for the community. We have implemented these models in a generalisable fashion, illustrating that their results can be extended to 2D or 3D scenarios, including medical images with different modalities (like CT, MRI, and X-Ray data) and from different anatomical areas. Finally, we adopt a modular and extensible approach, ensuring long-term maintainability and the extension of current applications for future features.

Prototypical Information Bottlenecking and Disentangling for Multimodal Cancer Survival Prediction

Multimodal learning significantly benefits cancer survival prediction, especially the integration of pathological images and genomic data. Despite advantages of multimodal learning for cancer survival prediction, massive redundancy in multimodal data prevents it from extracting discriminative and compact information: (1) An extensive amount of intra-modal task-unrelated information blurs discriminability, especially for gigapixel whole slide images (WSIs) with many patches in pathology and thousands of pathways in genomic data, leading to an ``intra-modal redundancy" issue. (2) Duplicated information among modalities dominates the representation of multimodal data, which makes modality-specific information prone to being ignored, resulting in an ``inter-modal redundancy" issue. To address these, we propose a new framework, Prototypical Information Bottlenecking and Disentangling (PIBD), consisting of Prototypical Information Bottleneck (PIB) module for intra-modal redundancy and Prototypical Information Disentanglement (PID) module for inter-modal redundancy. Specifically, a variant of information bottleneck, PIB, is proposed to model prototypes approximating a bunch of instances for different risk levels, which can be used for selection of discriminative instances within modality. PID module decouples entangled multimodal data into compact distinct components: modality-common and modality-specific knowledge, under the guidance of the joint prototypical distribution. Extensive experiments on five cancer benchmark datasets demonstrated our superiority over other methods.

A Hierarchical Bayesian Model for Deep Few-Shot Meta Learning

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

CoderEval: A Benchmark of Pragmatic Code Generation with Generative Pre-trained Models

Code generation models based on the pre-training and fine-tuning paradigm have been increasingly attempted by both academia and industry, resulting in well-known industrial models such as Codex, CodeGen, and PanGu-Coder. To evaluate the effectiveness of these models, multiple existing benchmarks are proposed, including only cases of generating a standalone function, i.e., a function that may invoke or access only built-in functions and standard libraries. However, non-standalone functions, which typically are not included in the existing benchmarks, constitute more than 70% of the functions in popular open-source projects, and evaluating models' effectiveness on standalone functions cannot reflect these models' effectiveness on pragmatic code generation scenarios. To help bridge the preceding gap, in this paper, we propose a benchmark named CoderEval, consisting of 230 Python and 230 Java code generation tasks carefully curated from popular real-world open-source projects and a self-contained execution platform to automatically assess the functional correctness of generated code. CoderEval supports code generation tasks from six levels of context dependency, where context refers to code elements such as types, APIs, variables, and consts defined outside the function under generation but within the dependent third-party libraries, current class, file, or project. CoderEval can be used to evaluate the effectiveness of models in generating code beyond only standalone functions. By evaluating three code generation models on CoderEval, we find that the effectiveness of these models in generating standalone functions is substantially higher than that in generating non-standalone functions. Our analysis highlights the current progress and pinpoints future directions to further improve a model's effectiveness by leveraging contextual information for pragmatic code generation.

A Model or 603 Exemplars: Towards Memory-Efficient Class-Incremental Learning

Real-world applications require the classification model to adapt to new classes without forgetting old ones. Correspondingly, Class-Incremental Learning (CIL) aims to train a model with limited memory size to meet this requirement. Typical CIL methods tend to save representative exemplars from former classes to resist forgetting, while recent works find that storing models from history can substantially boost the performance. However, the stored models are not counted into the memory budget, which implicitly results in unfair comparisons. We find that when counting the model size into the total budget and comparing methods with aligned memory size, saving models do not consistently work, especially for the case with limited memory budgets. As a result, we need to holistically evaluate different CIL methods at different memory scales and simultaneously consider accuracy and memory size for measurement. On the other hand, we dive deeply into the construction of the memory buffer for memory efficiency. By analyzing the effect of different layers in the network, we find that shallow and deep layers have different characteristics in CIL. Motivated by this, we propose a simple yet effective baseline, denoted as MEMO for Memory-efficient Expandable MOdel. MEMO extends specialized layers based on the shared generalized representations, efficiently extracting diverse representations with modest cost and maintaining representative exemplars. Extensive experiments on benchmark datasets validate MEMO's competitive performance. Code is available at: https://github.com/wangkiw/ICLR23-MEMO

Safety at Scale: A Comprehensive Survey of Large Model Safety

The rapid advancement of large models, driven by their exceptional abilities in learning and generalization through large-scale pre-training, has reshaped the landscape of Artificial Intelligence (AI). These models are now foundational to a wide range of applications, including conversational AI, recommendation systems, autonomous driving, content generation, medical diagnostics, and scientific discovery. However, their widespread deployment also exposes them to significant safety risks, raising concerns about robustness, reliability, and ethical implications. This survey provides a systematic review of current safety research on large models, covering Vision Foundation Models (VFMs), Large Language Models (LLMs), Vision-Language Pre-training (VLP) models, Vision-Language Models (VLMs), Diffusion Models (DMs), and large-model-based Agents. Our contributions are summarized as follows: (1) We present a comprehensive taxonomy of safety threats to these models, including adversarial attacks, data poisoning, backdoor attacks, jailbreak and prompt injection attacks, energy-latency attacks, data and model extraction attacks, and emerging agent-specific threats. (2) We review defense strategies proposed for each type of attacks if available and summarize the commonly used datasets and benchmarks for safety research. (3) Building on this, we identify and discuss the open challenges in large model safety, emphasizing the need for comprehensive safety evaluations, scalable and effective defense mechanisms, and sustainable data practices. More importantly, we highlight the necessity of collective efforts from the research community and international collaboration. Our work can serve as a useful reference for researchers and practitioners, fostering the ongoing development of comprehensive defense systems and platforms to safeguard AI models.

MM-Agent: LLM as Agents for Real-world Mathematical Modeling Problem

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

Towards Responsible AI in the Era of ChatGPT: A Reference Architecture for Designing Foundation Model-based AI Systems

The release of ChatGPT, Bard, and other large language model (LLM)-based chatbots has drawn huge attention on foundations models worldwide. There is a growing trend that foundation models will serve as the fundamental building blocks for most of the future AI systems. However, incorporating foundation models in AI systems raises significant concerns about responsible AI due to their black box nature and rapidly advancing super-intelligence. Additionally, the foundation model's growing capabilities can eventually absorb the other components of AI systems, introducing the moving boundary and interface evolution challenges in architecture design. To address these challenges, this paper proposes a pattern-oriented responsible-AI-by-design reference architecture for designing foundation model-based AI systems. Specially, the paper first presents an architecture evolution of AI systems in the era of foundation models, from "foundation-model-as-a-connector" to "foundation-model-as-a-monolithic architecture". The paper then identifies the key design decision points and proposes a pattern-oriented reference architecture to provide reusable responsible-AI-by-design architectural solutions to address the new architecture evolution and responsible AI challenges. The patterns can be embedded as product features of foundation model-based AI systems and can enable organisations to capitalise on the potential of foundation models while minimising associated risks.

Specializing Smaller Language Models towards Multi-Step Reasoning

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

Granite Code Models: A Family of Open Foundation Models for Code Intelligence

Large Language Models (LLMs) trained on code are revolutionizing the software development process. Increasingly, code LLMs are being integrated into software development environments to improve the productivity of human programmers, and LLM-based agents are beginning to show promise for handling complex tasks autonomously. Realizing the full potential of code LLMs requires a wide range of capabilities, including code generation, fixing bugs, explaining and documenting code, maintaining repositories, and more. In this work, we introduce the Granite series of decoder-only code models for code generative tasks, trained with code written in 116 programming languages. The Granite Code models family consists of models ranging in size from 3 to 34 billion parameters, suitable for applications ranging from complex application modernization tasks to on-device memory-constrained use cases. Evaluation on a comprehensive set of tasks demonstrates that Granite Code models consistently reaches state-of-the-art performance among available open-source code LLMs. The Granite Code model family was optimized for enterprise software development workflows and performs well across a range of coding tasks (e.g. code generation, fixing and explanation), making it a versatile all around code model. We release all our Granite Code models under an Apache 2.0 license for both research and commercial use.

Evaluation of OpenAI o1: Opportunities and Challenges of AGI

This comprehensive study evaluates the performance of OpenAI's o1-preview large language model across a diverse array of complex reasoning tasks, spanning multiple domains, including computer science, mathematics, natural sciences, medicine, linguistics, and social sciences. Through rigorous testing, o1-preview demonstrated remarkable capabilities, often achieving human-level or superior performance in areas ranging from coding challenges to scientific reasoning and from language processing to creative problem-solving. Key findings include: -83.3% success rate in solving complex competitive programming problems, surpassing many human experts. -Superior ability in generating coherent and accurate radiology reports, outperforming other evaluated models. -100% accuracy in high school-level mathematical reasoning tasks, providing detailed step-by-step solutions. -Advanced natural language inference capabilities across general and specialized domains like medicine. -Impressive performance in chip design tasks, outperforming specialized models in areas such as EDA script generation and bug analysis. -Remarkable proficiency in anthropology and geology, demonstrating deep understanding and reasoning in these specialized fields. -Strong capabilities in quantitative investing. O1 has comprehensive financial knowledge and statistical modeling skills. -Effective performance in social media analysis, including sentiment analysis and emotion recognition. The model excelled particularly in tasks requiring intricate reasoning and knowledge integration across various fields. While some limitations were observed, including occasional errors on simpler problems and challenges with certain highly specialized concepts, the overall results indicate significant progress towards artificial general intelligence.

pyhgf: A neural network library for predictive coding

Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support embodied, adaptable, and energy-efficient autonomous agents. A central theory in this domain is predictive coding, which posits that learning and behaviour are driven by hierarchical probabilistic inferences about the causes of sensory inputs. Biological realism constrains these networks to rely on simple local computations in the form of precision-weighted predictions and prediction errors. This can make this framework highly efficient, but its implementation comes with unique challenges on the software development side. Embedding such models in standard neural network libraries often becomes limiting, as these libraries' compilation and differentiation backends can force a conceptual separation between optimization algorithms and the systems being optimized. This critically departs from other biological principles such as self-monitoring, self-organisation, cellular growth and functional plasticity. In this paper, we introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating and sampling dynamic networks for predictive coding. We improve over other frameworks by enclosing the network components as transparent, modular and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary computational complexities as beliefs propagation. But the transparency of core variables can also translate into inference processes that leverage self-organisation principles, and express structure learning, meta-learning or causal discovery as the consequence of network structural adaptation to surprising inputs. The code, tutorials and documentation are hosted at: https://github.com/ilabcode/pyhgf.

Stationary Representations: Optimally Approximating Compatibility and Implications for Improved Model Replacements

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

Toward General-Purpose Robots via Foundation Models: A Survey and Meta-Analysis

Building general-purpose robots that can operate seamlessly, in any environment, with any object, and utilizing various skills to complete diverse tasks has been a long-standing goal in Artificial Intelligence. Unfortunately, however, most existing robotic systems have been constrained - having been designed for specific tasks, trained on specific datasets, and deployed within specific environments. These systems usually require extensively-labeled data, rely on task-specific models, have numerous generalization issues when deployed in real-world scenarios, and struggle to remain robust to distribution shifts. Motivated by the impressive open-set performance and content generation capabilities of web-scale, large-capacity pre-trained models (i.e., foundation models) in research fields such as Natural Language Processing (NLP) and Computer Vision (CV), we devote this survey to exploring (i) how these existing foundation models from NLP and CV can be applied to the field of robotics, and also exploring (ii) what a robotics-specific foundation model would look like. We begin by providing an overview of what constitutes a conventional robotic system and the fundamental barriers to making it universally applicable. Next, we establish a taxonomy to discuss current work exploring ways to leverage existing foundation models for robotics and develop ones catered to robotics. Finally, we discuss key challenges and promising future directions in using foundation models for enabling general-purpose robotic systems. We encourage readers to view our ``living`` GitHub repository of resources, including papers reviewed in this survey as well as related projects and repositories for developing foundation models for robotics.

Towards Generalist Robots: A Promising Paradigm via Generative Simulation

This document serves as a position paper that outlines the authors' vision for a potential pathway towards generalist robots. The purpose of this document is to share the excitement of the authors with the community and highlight a promising research direction in robotics and AI. The authors believe the proposed paradigm is a feasible path towards accomplishing the long-standing goal of robotics research: deploying robots, or embodied AI agents more broadly, in various non-factory real-world settings to perform diverse tasks. This document presents a specific idea for mining knowledge in the latest large-scale foundation models for robotics research. Instead of directly using or adapting these models to produce low-level policies and actions, it advocates for a fully automated generative pipeline (termed as generative simulation), which uses these models to generate diversified tasks, scenes and training supervisions at scale, thereby scaling up low-level skill learning and ultimately leading to a foundation model for robotics that empowers generalist robots. The authors are actively pursuing this direction, but in the meantime, they recognize that the ambitious goal of building generalist robots with large-scale policy training demands significant resources such as computing power and hardware, and research groups in academia alone may face severe resource constraints in implementing the entire vision. Therefore, the authors believe sharing their thoughts at this early stage could foster discussions, attract interest towards the proposed pathway and related topics from industry groups, and potentially spur significant technical advancements in the field.

Generative Pre-Trained Diffusion Paradigm for Zero-Shot Time Series Forecasting

In recent years, generative pre-trained paradigms such as Large Language Models (LLMs) and Large Vision Models (LVMs) have achieved revolutionary advancements and widespread real-world applications. Particularly, the emergence of pre-trained LLMs-based temporal works, compared to previous deep model approaches, has demonstrated superior generalization and robustness, showcasing the potential of generative pre-trained paradigms as foundation models for time series. However, those LLMs-based works mainly focus on cross-modal research, i.e., leveraging the language capabilities of LLMs in time series contexts. Although they have achieved impressive performance, there still exist the issues of concept drift caused by differences in data distribution and inflexibility caused by misalignment of dimensions. To this end, inspired by recent work on LVMs, we reconsider the paradigm of time series modeling. In this paper, we comprehensively explore, for the first time, the effectiveness and superiority of the Generative Pre-trained Diffusion (GPD) paradigm in real-world multivariate time series forecasting (TSF). Specifically, to mitigate performance bias introduced by sophisticated networks, we propose a straightforward MLP diffusion network for unconditional modeling of time series. Then we employ a zero-shot and tuning-free method to predict (generate) future data using historical data as prompts. The GPD paradigm is established on the time series modality, effectively preventing the phenomenon of concept drift, and enabling flexible forecasting of arbitrary lengths. We demonstrate that the GPD paradigm achieves comprehensive performance and generalization comparable to current SOTA LLM-based and deep model paradigms on mainstream benchmarks and various TSF tasks. Extensive experiments validate the potential of the GPD paradigm and its assistance in future related research.

Emergence of Hidden Capabilities: Exploring Learning Dynamics in Concept Space

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

BoxingGym: Benchmarking Progress in Automated Experimental Design and Model Discovery

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models

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.

Beimingwu: A Learnware Dock System

The learnware paradigm proposed by Zhou [2016] aims to enable users to reuse numerous existing well-trained models instead of building machine learning models from scratch, with the hope of solving new user tasks even beyond models' original purposes. In this paradigm, developers worldwide can submit their high-performing models spontaneously to the learnware dock system (formerly known as learnware market) without revealing their training data. Once the dock system accepts the model, it assigns a specification and accommodates the model. This specification allows the model to be adequately identified and assembled to reuse according to future users' needs, even if they have no prior knowledge of the model. This paradigm greatly differs from the current big model direction and it is expected that a learnware dock system housing millions or more high-performing models could offer excellent capabilities for both planned tasks where big models are applicable; and unplanned, specialized, data-sensitive scenarios where big models are not present or applicable. This paper describes Beimingwu, the first open-source learnware dock system providing foundational support for future research of learnware paradigm.The system significantly streamlines the model development for new user tasks, thanks to its integrated architecture and engine design, extensive engineering implementations and optimizations, and the integration of various algorithms for learnware identification and reuse. Notably, this is possible even for users with limited data and minimal expertise in machine learning, without compromising the raw data's security. Beimingwu supports the entire process of learnware paradigm. The system lays the foundation for future research in learnware-related algorithms and systems, and prepares the ground for hosting a vast array of learnwares and establishing a learnware ecosystem.

CoCoNUT: Structural Code Understanding does not fall out of a tree

Large Language Models (LLMs) have shown impressive performance across a wide array of tasks involving both structured and unstructured textual data. Recent results on various benchmarks for code generation, repair, or completion suggest that certain models have programming abilities comparable to or even surpass humans. In this work, we demonstrate that high performance on such benchmarks does not correlate to humans' innate ability to understand structural control flow in code. To this end, we extract solutions from the HumanEval benchmark, which the relevant models perform strongly on, and trace their execution path using function calls sampled from the respective test set. Using this dataset, we investigate the ability of seven state-of-the-art LLMs to match the execution trace and find that, despite their ability to generate semantically identical code, they possess limited ability to trace execution paths, especially for longer traces and specific control structures. We find that even the top-performing model, Gemini, can fully and correctly generate only 47% of HumanEval task traces. Additionally, we introduce a subset for three key structures not contained in HumanEval: Recursion, Parallel Processing, and Object-Oriented Programming, including concepts like Inheritance and Polymorphism. Besides OOP, we show that none of the investigated models achieve an accuracy over 5% on the relevant traces. Aggregating these specialized parts with HumanEval tasks, we present Benchmark CoCoNUT: Code Control Flow for Navigation Understanding and Testing, which measures a model's ability to trace execution of code upon relevant calls, including advanced structural components. We conclude that current LLMs need significant improvement to enhance code reasoning abilities. We hope our dataset helps researchers bridge this gap.

Energy-Based Concept Bottleneck Models: Unifying Prediction, Concept Intervention, and Probabilistic Interpretations

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Towards General Purpose Medical AI: Continual Learning Medical Foundation Model

Inevitable domain and task discrepancies in real-world scenarios can impair the generalization performance of the pre-trained deep models for medical data. Therefore, we audaciously propose that we should build a general-purpose medical AI system that can be seamlessly adapted to downstream domains/tasks. Since the domain/task adaption procedures usually involve additional labeling work for the target data, designing a data-efficient adaption algorithm is desired to save the cost of transferring the learned knowledge. Our recent work found that vision-language models (VLMs) are efficient learners with extraordinary cross-domain ability. Therefore, in this work, we further explore the possibility of leveraging pre-trained VLMs as medical foundation models for building general-purpose medical AI, where we thoroughly investigate three machine-learning paradigms, i.e., domain/task-specialized learning, joint learning, and continual learning, for training the VLMs and evaluate their generalization performance on cross-domain and cross-task test sets. To alleviate the catastrophic forgetting during sequential training, we employ rehearsal learning and receive a sharp boost in terms of generalization capability. In a nutshell, our empirical evidence suggests that continual learning may be a practical and efficient learning paradigm for the medical foundation model. And we hope researchers can use our empirical evidence as basement to further explore the path toward medical foundation model.

SemiKong: Curating, Training, and Evaluating A Semiconductor Industry-Specific Large Language Model

Large Language Models (LLMs) have demonstrated the potential to address some issues within the semiconductor industry. However, they are often general-purpose models that lack the specialized knowledge needed to tackle the unique challenges of this sector, such as the intricate physics and chemistry of semiconductor devices and processes. SemiKong, the first industry-specific LLM for the semiconductor domain, provides a foundation that can be used to develop tailored proprietary models. With SemiKong 1.0, we aim to develop a foundational model capable of understanding etching problems at an expert level. Our key contributions include (a) curating a comprehensive corpus of semiconductor-related texts, (b) creating a foundational model with in-depth semiconductor knowledge, and (c) introducing a framework for integrating expert knowledge, thereby advancing the evaluation process of domain-specific AI models. Through fine-tuning a pre-trained LLM using our curated dataset, we have shown that SemiKong outperforms larger, general-purpose LLMs in various semiconductor manufacturing and design tasks. Our extensive experiments underscore the importance of developing domain-specific LLMs as a foundation for company- or tool-specific proprietary models, paving the way for further research and applications in the semiconductor domain. Code and dataset will be available at https://github.com/aitomatic/semikong

On the Existence of Simpler Machine Learning Models

It is almost always easier to find an accurate-but-complex model than an accurate-yet-simple model. Finding optimal, sparse, accurate models of various forms (linear models with integer coefficients, decision sets, rule lists, decision trees) is generally NP-hard. We often do not know whether the search for a simpler model will be worthwhile, and thus we do not go to the trouble of searching for one. In this work, we ask an important practical question: can accurate-yet-simple models be proven to exist, or shown likely to exist, before explicitly searching for them? We hypothesize that there is an important reason that simple-yet-accurate models often do exist. This hypothesis is that the size of the Rashomon set is often large, where the Rashomon set is the set of almost-equally-accurate models from a function class. If the Rashomon set is large, it contains numerous accurate models, and perhaps at least one of them is the simple model we desire. In this work, we formally present the Rashomon ratio as a new gauge of simplicity for a learning problem, depending on a function class and a data set. The Rashomon ratio is the ratio of the volume of the set of accurate models to the volume of the hypothesis space, and it is different from standard complexity measures from statistical learning theory. Insight from studying the Rashomon ratio provides an easy way to check whether a simpler model might exist for a problem before finding it, namely whether several different machine learning methods achieve similar performance on the data. In that sense, the Rashomon ratio is a powerful tool for understanding why and when an accurate-yet-simple model might exist. If, as we hypothesize in this work, many real-world data sets admit large Rashomon sets, the implications are vast: it means that simple or interpretable models may often be used for high-stakes decisions without losing accuracy.

AI Flow: Perspectives, Scenarios, and Approaches

Pioneered by the foundational information theory by Claude Shannon and the visionary framework of machine intelligence by Alan Turing, the convergent evolution of information and communication technologies (IT/CT) has created an unbroken wave of connectivity and computation. This synergy has sparked a technological revolution, now reaching its peak with large artificial intelligence (AI) models that are reshaping industries and redefining human-machine collaboration. However, the realization of ubiquitous intelligence faces considerable challenges due to substantial resource consumption in large models and high communication bandwidth demands. To address these challenges, AI Flow has been introduced as a multidisciplinary framework that integrates cutting-edge IT and CT advancements, with a particular emphasis on the following three key points. First, device-edge-cloud framework serves as the foundation, which integrates end devices, edge servers, and cloud clusters to optimize scalability and efficiency for low-latency model inference. Second, we introduce the concept of familial models, which refers to a series of different-sized models with aligned hidden features, enabling effective collaboration and the flexibility to adapt to varying resource constraints and dynamic scenarios. Third, connectivity- and interaction-based intelligence emergence is a novel paradigm of AI Flow. By leveraging communication networks to enhance connectivity, the collaboration among AI models across heterogeneous nodes achieves emergent intelligence that surpasses the capability of any single model. The innovations of AI Flow provide enhanced intelligence, timely responsiveness, and ubiquitous accessibility to AI services, paving the way for the tighter fusion of AI techniques and communication systems.

Automated Design of Agentic Systems

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Interactive Medical Image Analysis with Concept-based Similarity Reasoning

The ability to interpret and intervene model decisions is important for the adoption of computer-aided diagnosis methods in clinical workflows. Recent concept-based methods link the model predictions with interpretable concepts and modify their activation scores to interact with the model. However, these concepts are at the image level, which hinders the model from pinpointing the exact patches the concepts are activated. Alternatively, prototype-based methods learn representations from training image patches and compare these with test image patches, using the similarity scores for final class prediction. However, interpreting the underlying concepts of these patches can be challenging and often necessitates post-hoc guesswork. To address this issue, this paper introduces the novel Concept-based Similarity Reasoning network (CSR), which offers (i) patch-level prototype with intrinsic concept interpretation, and (ii) spatial interactivity. First, the proposed CSR provides localized explanation by grounding prototypes of each concept on image regions. Second, our model introduces novel spatial-level interaction, allowing doctors to engage directly with specific image areas, making it an intuitive and transparent tool for medical imaging. CSR improves upon prior state-of-the-art interpretable methods by up to 4.5\% across three biomedical datasets. Our code is released at https://github.com/tadeephuy/InteractCSR.

KIND: Knowledge Integration and Diversion in Diffusion Models

Pre-trained models have become the preferred backbone due to the expansion of model parameters, with techniques like Parameter-Efficient Fine-Tuning (PEFTs) typically fixing the parameters of these models. However, pre-trained models may not always be optimal, especially when there are discrepancies between training tasks and target tasks, potentially resulting in negative transfer. To address this, we introduce KIND, which performs Knowledge INtegration and Diversion in diffusion models. KIND first integrates knowledge by decomposing parameter matrices of models using U, Sigma, and V matrices, formally inspired by singular value decomposition (SVD). Then it explicitly partitions the components of these matrices into learngenes and tailors to condense common and class-specific knowledge, respectively, through a class gate. In this way, KIND redefines traditional pre-training methods by adjusting training objectives from maximizing model performance on current tasks to condensing transferable common knowledge, leveraging the Learngene framework. We conduct experiments on ImageNet-1K and compare KIND with PEFT and other learngene methods. Results indicate that KIND achieves state-of-the-art performance compared to other PEFT and learngene methods. Specifically, the images generated by KIND achieves more than 6.54 and 1.07 decrease in FID and sFID on DiT-L/2, utilizing only 45.4M trainable parameters and saving at least 35.4G FLOPs in computational cost.

Treasure Hunt: Real-time Targeting of the Long Tail using Training-Time Markers

One of the most profound challenges of modern machine learning is performing well on the long-tail of rare and underrepresented features. Large general-purpose models are trained for many tasks, but work best on high-frequency use cases. After training, it is hard to adapt a model to perform well on specific use cases underrepresented in the training corpus. Relying on prompt engineering or few-shot examples to maximize the output quality on a particular test case can be frustrating, as models can be highly sensitive to small changes, react in unpredicted ways or rely on a fixed system prompt for maintaining performance. In this work, we ask: "Can we optimize our training protocols to both improve controllability and performance on underrepresented use cases at inference time?" We revisit the divide between training and inference techniques to improve long-tail performance while providing users with a set of control levers the model is trained to be responsive to. We create a detailed taxonomy of data characteristics and task provenance to explicitly control generation attributes and implicitly condition generations at inference time. We fine-tune a base model to infer these markers automatically, which makes them optional at inference time. This principled and flexible approach yields pronounced improvements in performance, especially on examples from the long tail of the training distribution. While we observe an average lift of 5.7% win rates in open-ended generation quality with our markers, we see over 9.1% gains in underrepresented domains. We also observe relative lifts of up to 14.1% on underrepresented tasks like CodeRepair and absolute improvements of 35.3% on length instruction following evaluations.

General-Purpose In-Context Learning by Meta-Learning Transformers

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

The Universality Lens: Why Even Highly Over-Parametrized Models Learn Well

A fundamental question in modern machine learning is why large, over-parameterized models, such as deep neural networks and transformers, tend to generalize well, even when their number of parameters far exceeds the number of training samples. We investigate this phenomenon through the lens of information theory, grounded in universal learning theory. Specifically, we study a Bayesian mixture learner with log-loss and (almost) uniform prior over an expansive hypothesis class. Our key result shows that the learner's regret is not determined by the overall size of the hypothesis class, but rather by the cumulative probability of all models that are close, in Kullback-Leibler divergence distance, to the true data-generating process. We refer to this cumulative probability as the weight of the hypothesis. This leads to a natural notion of model simplicity: simple models are those with large weight and thus require fewer samples to generalize, while complex models have small weight and need more data. This perspective provides a rigorous and intuitive explanation for why over-parameterized models often avoid overfitting: the presence of simple hypotheses allows the posterior to concentrate on them when supported by the data. We further bridge theory and practice by recalling that stochastic gradient descent with Langevin dynamics samples from the correct posterior distribution, enabling our theoretical learner to be approximated using standard machine learning methods combined with ensemble learning. Our analysis yields non-uniform regret bounds and aligns with key practical concepts such as flat minima and model distillation. The results apply broadly across online, batch, and supervised learning settings, offering a unified and principled understanding of the generalization behavior of modern AI systems.

Scalable Diffusion for Materials Generation

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

A Comprehensive Survey of Mixture-of-Experts: Algorithms, Theory, and Applications

Artificial intelligence (AI) has achieved astonishing successes in many domains, especially with the recent breakthroughs in the development of foundational large models. These large models, leveraging their extensive training data, provide versatile solutions for a wide range of downstream tasks. However, as modern datasets become increasingly diverse and complex, the development of large AI models faces two major challenges: (1) the enormous consumption of computational resources and deployment difficulties, and (2) the difficulty in fitting heterogeneous and complex data, which limits the usability of the models. Mixture of Experts (MoE) models has recently attracted much attention in addressing these challenges, by dynamically selecting and activating the most relevant sub-models to process input data. It has been shown that MoEs can significantly improve model performance and efficiency with fewer resources, particularly excelling in handling large-scale, multimodal data. Given the tremendous potential MoE has demonstrated across various domains, it is urgent to provide a comprehensive summary of recent advancements of MoEs in many important fields. Existing surveys on MoE have their limitations, e.g., being outdated or lacking discussion on certain key areas, and we aim to address these gaps. In this paper, we first introduce the basic design of MoE, including gating functions, expert networks, routing mechanisms, training strategies, and system design. We then explore the algorithm design of MoE in important machine learning paradigms such as continual learning, meta-learning, multi-task learning, and reinforcement learning. Additionally, we summarize theoretical studies aimed at understanding MoE and review its applications in computer vision and natural language processing. Finally, we discuss promising future research directions.