Daily Papers

Supply chain operations traditionally involve a variety of complex decision making problems. Over the last few decades, supply chains greatly benefited from advances in computation, which allowed the transition from manual processing to automation and cost-effective optimization. Nonetheless, business operators still need to spend substantial efforts in explaining and interpreting the optimization outcomes to stakeholders. Motivated by the recent advances in Large Language Models (LLMs), we study how this disruptive technology can help bridge the gap between supply chain automation and human comprehension and trust thereof. We design -- a framework that accepts as input queries in plain text, and outputs insights about the underlying optimization outcomes. Our framework does not forgo the state-of-the-art combinatorial optimization technology, but rather leverages it to quantitatively answer what-if scenarios (e.g., how would the cost change if we used supplier B instead of supplier A for a given demand?). Importantly, our design does not require sending proprietary data over to LLMs, which can be a privacy concern in some circumstances. We demonstrate the effectiveness of our framework on a real server placement scenario within Microsoft's cloud supply chain. Along the way, we develop a general evaluation benchmark, which can be used to evaluate the accuracy of the LLM output in other scenarios.

I/O performance is crucial to efficiency in data-intensive scientific computing; but tuning large-scale storage systems is complex, costly, and notoriously manpower-intensive, making it inaccessible for most domain scientists. To address this problem, we propose STELLAR, an autonomous tuner for high-performance parallel file systems. Our evaluations show that STELLAR almost always selects near-optimal parameter configurations for parallel file systems within the first five attempts, even for previously unseen applications. STELLAR differs fundamentally from traditional autotuning methods, which often require hundreds of thousands of iterations to converge. Powered by large language models (LLMs), STELLAR enables autonomous end-to-end agentic tuning by (1) accurately extracting tunable parameters from software manuals, (2) analyzing I/O trace logs generated by applications, (3) selecting initial tuning strategies, (4) rerunning applications on real systems and collecting I/O performance feedback, (5) adjusting tuning strategies and repeating the tuning cycle, and (6) reflecting on and summarizing tuning experiences into reusable knowledge for future optimizations. STELLAR integrates retrieval-augmented generation (RAG), tool execution, LLM-based reasoning, and a multiagent design to stabilize reasoning and combat hallucinations. We evaluate the impact of each component on optimization outcomes, providing design insights for similar systems in other optimization domains. STELLAR's architecture and empirical results highlight a promising approach to complex system optimization, especially for problems with large search spaces and high exploration costs, while making I/O tuning more accessible to domain scientists with minimal added resources.

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these objectives may only be imperfect proxies. We argue that automating objective function design is a central, yet unmet need for scientific discovery agents. In this work, we introduce the Scientific Autonomous Goal-evolving Agent (SAGA) to address this challenge. SAGA employs a bi-level architecture in which an outer loop of LLM agents analyzes optimization outcomes, proposes new objectives, and converts them into computable scoring functions, while an inner loop performs solution optimization under the current objectives. This bi-level design enables systematic exploration of the space of objectives and their trade-offs, rather than treating them as fixed inputs. We demonstrate the framework through a wide range of design applications, including antibiotics, nanobodies, functional DNA sequences, inorganic materials, and chemical processes. Notably, our experimental validation identifies a structurally novel hit with promising potency and safety profiles for E. coli in the antibiotic design task, and three de novo PD-L1 binders in the nanobody design task. These results suggest that automating objective formulation can substantially improve the effectiveness of scientific discovery agents.

The enormous financial success of online advertising platforms is partially due to the precise targeting features they offer. Although researchers and journalists have found many ways that advertisers can target---or exclude---particular groups of users seeing their ads, comparatively little attention has been paid to the implications of the platform's ad delivery process, comprised of the platform's choices about which users see which ads. It has been hypothesized that this process can "skew" ad delivery in ways that the advertisers do not intend, making some users less likely than others to see particular ads based on their demographic characteristics. In this paper, we demonstrate that such skewed delivery occurs on Facebook, due to market and financial optimization effects as well as the platform's own predictions about the "relevance" of ads to different groups of users. We find that both the advertiser's budget and the content of the ad each significantly contribute to the skew of Facebook's ad delivery. Critically, we observe significant skew in delivery along gender and racial lines for "real" ads for employment and housing opportunities despite neutral targeting parameters. Our results demonstrate previously unknown mechanisms that can lead to potentially discriminatory ad delivery, even when advertisers set their targeting parameters to be highly inclusive. This underscores the need for policymakers and platforms to carefully consider the role of the ad delivery optimization run by ad platforms themselves---and not just the targeting choices of advertisers---in preventing discrimination in digital advertising.

Medical Vision-Language Models (VLMs) are prone to hallucinations, compromising clinical reliability. While reinforcement learning methods like Group Relative Policy Optimization (GRPO) offer a low-cost alignment solution, their reliance on sparse, outcome-based rewards inadvertently encourages models to "overthink" -- generating verbose, convoluted, and unverifiable Chain-of-Thought reasoning to justify answers. This focus on outcomes obscures factual errors and poses significant safety risks. To address this, we propose CheXPO-v2, a novel alignment framework that shifts from outcome to process supervision. Our core innovation is a Knowledge Graph Consistency Reward mechanism driven by Entity-Relation Matching. By explicitly parsing reasoning steps into structured "Disease, Relation, Anatomy" triplets, we provide fine-grained supervision that penalizes incoherent logic and hallucinations at the atomic level. Integrating this with a hard-example mining strategy, our approach significantly outperforms GRPO and state-of-the-art models on benchmarks like MIMIC-CXR-VQA. Crucially, CheXPO-v2 achieves new state-of-the-art accuracy using only 5k samples, demonstrating exceptional data efficiency while producing clinically sound and verifiable reasoning. The project source code is publicly available at: https://github.com/ecoxial2007/CheX-Phi4MM.

Real-world user requests to LLM agents are often underspecified. Agents must interact to acquire missing information and make correct downstream decisions. However, current multi-turn GRPO-based methods often rely on trajectory-level reward computation, which leads to credit assignment problems and insufficient advantage signals within rollout groups. A feasible approach is to identify valuable interaction turns at a fine granularity to drive more targeted learning. To address this, we introduce InfoPO (Information-Driven Policy Optimization), which frames multi-turn interaction as a process of active uncertainty reduction and computes an information-gain reward that credits turns whose feedback measurably changes the agent's subsequent action distribution compared to a masked-feedback counterfactual. It then combines this signal with task outcomes via an adaptive variance-gated fusion to identify information importance while maintaining task-oriented goal direction. Across diverse tasks, including intent clarification, collaborative coding, and tool-augmented decision making, InfoPO consistently outperforms prompting and multi-turn RL baselines. It also demonstrates robustness under user simulator shifts and generalizes effectively to environment-interactive tasks. Overall, InfoPO provides a principled and scalable mechanism for optimizing complex agent-user collaboration. Code is available at https://github.com/kfq20/InfoPO.

Offline preference optimization methods are efficient for large language models (LLMs) alignment. Direct Preference optimization (DPO)-like learning, one of the most popular approaches, stands out for its efficiency in reward modeling. However, these methods typically follow the convention to use Bradley-Terry (BT) reward modeling that faces several critical assumptions, including the requirement for pairwise training data, model distribution shifting, human rationality assumption, etc. To address these limitations, we propose a general framework for offline preference optimization methods, Adaptive Preference Optimization with Utility Anchor (UAPO), which introduces an anchoring function to estimate the uncertainties brought from preference data annotation. Our method enables training even in scenarios where the data is unpaired, significantly enhancing data utilization efficiency. Moreover, the anchor design makes UAPO more robust in the training process. Experimental results demonstrate that UAPO achieves competitive outcomes without the strict dependency on data pairing, paving the way for more flexible and effective preference optimization methods.

Large language models (LLM) have achieved remarkable outcomes in addressing complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet few works have explored the potential of LLM in quantum computing. The most challenging problem is how to leverage LLMs to automatically generate quantum circuits at a large scale. In this paper, we address such a challenge by fine-tuning LLMs and injecting the domain-specific knowledge of quantum computing. In particular, we investigate the mechanisms to generate training data sets and construct the end-to-end pipeline to fine-tune pre-trained LLMs that produce parameterized quantum circuits for optimization problems. We have prepared 14,000 quantum circuits covering a substantial part of the quantum optimization landscape: 12 optimization problem instances and their optimized QAOA, VQE, and adaptive VQE circuits. The fine-tuned LLMs can construct syntactically correct parametrized quantum circuits in the most recent OpenQASM 3.0. We have evaluated the quality of the parameters by comparing them to the optimized expectation values and distributions. Our evaluation shows that the fine-tuned LLM outperforms state-of-the-art models and that the parameters are better than random. The LLM-generated parametrized circuits and initial parameters can be used as a starting point for further optimization, e.g., templates in quantum machine learning and the benchmark for compilers and hardware.

Existing preference optimization methods are mainly designed for directly learning from human feedback with the assumption that paired examples (preferred vs. dis-preferred) are available. In contrast, we propose a method that can leverage unpaired preferred or dis-preferred examples, and works even when only one type of feedback (positive or negative) is available. This flexibility allows us to apply it in scenarios with varying forms of feedback and models, including training generative language models based on human feedback as well as training policies for sequential decision-making problems, where learned (value) functions are available. Our approach builds upon the probabilistic framework introduced in (Dayan and Hinton, 1997), which proposes to use expectation-maximization (EM) to directly optimize the probability of preferred outcomes (as opposed to classic expected reward maximization). To obtain a practical algorithm, we identify and address a key limitation in current EM-based methods: when applied to preference optimization, they solely maximize the likelihood of preferred examples, while neglecting dis-preferred samples. We show how one can extend EM algorithms to explicitly incorporate dis-preferred outcomes, leading to a novel, theoretically grounded, preference optimization algorithm that offers an intuitive and versatile way to learn from both positive and negative feedback.

Sleep quality is influenced by a complex interplay of behavioral, environmental, and psychosocial factors, yet most computational studies focus mainly on predictive risk identification rather than actionable intervention design. Although machine learning models can accurately predict subjective sleep outcomes, they rarely translate predictive insights into practical intervention strategies. To address this gap, we propose a personalized predictive-prescriptive framework that integrates interpretable machine learning with mixed-integer optimization. A supervised classifier trained on survey data predicts sleep quality, while SHAP-based feature attribution quantifies the influence of modifiable factors. These importance measures are incorporated into a mixed-integer optimization model that identifies minimal and feasible behavioral adjustments, while modelling resistance to change through a penalty mechanism. The framework achieves strong predictive performance, with a test F1-score of 0.9544 and an accuracy of 0.9366. Sensitivity and Pareto analyses reveal a clear trade-off between expected improvement and intervention intensity, with diminishing returns as additional changes are introduced. At the individual level, the model generates concise recommendations, often suggesting one or two high-impact behavioral adjustments and sometimes recommending no change when expected gains are minimal. By integrating prediction, explanation, and constrained optimization, this framework demonstrates how data-driven insights can be translated into structured and personalized decision support for sleep improvement.

Large language models (LLMs) excel at text generation, but their ability to handle clinical classification tasks involving structured data, such as time series, remains underexplored. In this work, we adapt instruction-tuned LLMs using DSPy-based prompt optimization to process clinical notes and structured EHR inputs jointly. Our results show that this approach achieves performance on par with specialized multimodal systems while requiring less complexity and offering greater adaptability across tasks.

Competitive sports require sophisticated tactical analysis, yet combat disciplines like boxing remain underdeveloped in AI-driven analytics due to the complexity of action dynamics and the lack of structured tactical representations. To address this, we present BoxMind, a closed-loop AI expert system validated in elite boxing competition. By defining atomic punch events with precise temporal boundaries and spatial and technical attributes, we parse match footage into 18 hierarchical technical-tactical indicators. We then propose a graph-based predictive model that fuses these explicit technical-tactical profiles with learnable, time-variant latent embeddings to capture the dynamics of boxer matchups. Modeling match outcome as a differentiable function of technical-tactical indicators, we turn winning probability gradients into executable tactical adjustments. Experiments show that the outcome prediction model achieves state-of-the-art performance, with 69.8% accuracy on BoxerGraph test set and 87.5% on Olympic matches. Using this predictive model as a foundation, the system generates strategic recommendations that demonstrate proficiency comparable to human experts. BoxMind is validated through a closed-loop deployment during the 2024 Paris Olympics, directly contributing to the Chinese National Team's historic achievement of three gold and two silver medals. BoxMind establishes a replicable paradigm for transforming unstructured video data into strategic intelligence, bridging the gap between computer vision and decision support in competitive sports.

Prompt engineering is a challenging and important task due to the high sensitivity of Large Language Models (LLMs) to the given prompt and the inherent ambiguity of a textual task instruction. Automatic prompt engineering is essential to achieve optimized performance from LLMs. Recent studies have demonstrated the capabilities of LLMs to automatically conduct prompt engineering by employing a meta-prompt that incorporates the outcomes of the last trials and proposes an improved prompt. However, this requires a high-quality benchmark to compare different prompts, which is difficult and expensive to acquire in many real-world use cases. In this work, we introduce a new method for automatic prompt engineering, using a calibration process that iteratively refines the prompt to the user intent. During the optimization process, the system jointly generates synthetic data of boundary use cases and optimizes the prompt according to the generated dataset. We demonstrate the effectiveness of our method with respect to strong proprietary models on real-world tasks such as moderation and generation. Our method outperforms state-of-the-art methods with a limited number of annotated samples. Furthermore, we validate the advantages of each one of the system's key components. Our system is built in a modular way, facilitating easy adaptation to other tasks. The code is available https://github.com/Eladlev/AutoPrompt{here}.

Reinforcement learning has significantly enhanced the reasoning capabilities of Large Language Models (LLMs) in complex problem-solving tasks. Recently, the introduction of DeepSeek R1 has inspired a surge of interest in leveraging rule-based rewards as a low-cost alternative for computing advantage functions and guiding policy optimization. However, a common challenge observed across many replication and extension efforts is that when multiple sampled responses under a single prompt converge to identical outcomes, whether correct or incorrect, the group-based advantage degenerates to zero. This leads to vanishing gradients and renders the corresponding samples ineffective for learning, ultimately limiting training efficiency and downstream performance. To address this issue, we propose a consistency-aware policy optimization framework that introduces a structured global reward based on outcome consistency, the global loss based on it ensures that, even when model outputs show high intra-group consistency, the training process still receives meaningful learning signals, which encourages the generation of correct and self-consistent reasoning paths from a global perspective. Furthermore, we incorporate an entropy-based soft blending mechanism that adaptively balances local advantage estimation with global optimization, enabling dynamic transitions between exploration and convergence throughout training. Our method introduces several key innovations in both reward design and optimization strategy. We validate its effectiveness through substantial performance gains on multiple mathematical reasoning benchmarks, highlighting the proposed framework's robustness and general applicability. Code of this work has been released at https://github.com/hijih/copo-code.git.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

The paper introduces D-CODE, a new framework blending Data Colony Optimization (DCO) algorithms inspired by biological colonies' collective behaviours with Dynamic Efficiency (DE) models for real-time adaptation. DCO utilizes metaheuristic strategies from ant colonies, bee swarms, and fungal networks to efficiently explore complex data landscapes, while DE enables continuous resource recalibration and process adjustments for optimal performance amidst changing conditions. Through a mixed-methods approach involving simulations and case studies, D-CODE outperforms traditional techniques, showing improvements of 3-4% in solution quality, 2-3 times faster convergence rates, and up to 25% higher computational efficiency. The integration of DCO's robust optimization and DE's dynamic responsiveness positions D-CODE as a transformative paradigm for intelligent systems design, with potential applications in operational efficiency, decision support, and computational intelligence, supported by empirical validation and promising outcomes.

Diffusion models have made substantial advances in image generation, yet models trained on large, unfiltered datasets often yield outputs misaligned with human preferences. Numerous methods have been proposed to fine-tune pre-trained diffusion models, achieving notable improvements in aligning generated outputs with human preferences. However, we argue that existing preference alignment methods neglect the critical role of handling unconditional/negative-conditional outputs, leading to a diminished capacity to avoid generating undesirable outcomes. This oversight limits the efficacy of classifier-free guidance~(CFG), which relies on the contrast between conditional generation and unconditional/negative-conditional generation to optimize output quality. In response, we propose a straightforward but versatile effective approach that involves training a model specifically attuned to negative preferences. This method does not require new training strategies or datasets but rather involves minor modifications to existing techniques. Our approach integrates seamlessly with models such as SD1.5, SDXL, video diffusion models and models that have undergone preference optimization, consistently enhancing their alignment with human preferences.

Effective reward design is a central challenge in Reinforcement Learning (RL) for code generation. Mainstream pass/fail outcome rewards enforce functional correctness via executing unit tests, but the resulting sparsity limits potential performance gains. While recent work has explored external Reward Models (RM) to generate richer, continuous rewards, the learned RMs suffer from reward misalignment and prohibitive computational cost. In this paper, we introduce VeRPO (Verifiable Dense Reward Policy Optimization), a novel RL framework for code generation that synthesizes robust and dense rewards fully grounded in verifiable execution feedback. The core idea of VeRPO is constructing dense rewards from weighted partial success: by dynamically estimating the difficulty weight of each unit test based on the execution statistics during training, a dense reward is derived from the sum of weights of the passed unit tests. To solidify the consistency between partial success and end-to-end functional correctness, VeRPO further integrates the dense signal with global execution outcomes, establishing a robust and dense reward paradigm relying solely on verifiable execution feedback. Extensive experiments across diverse benchmarks and settings demonstrate that VeRPO consistently outperforms outcome-driven and RM-based baselines, achieving up to +8.83\% gain in pass@1 with negligible time cost (< 0.02\%) and zero GPU memory overhead.

Financial markets pose fundamental challenges for asset return prediction due to their high dimensionality, non-stationarity, and persistent volatility. Despite advances in large language models and multi-agent systems, current quantitative research pipelines suffer from limited automation, weak interpretability, and fragmented coordination across key components such as factor mining and model innovation. In this paper, we propose R&D-Agent for Quantitative Finance, in short RD-Agent(Q), the first data-centric multi-agent framework designed to automate the full-stack research and development of quantitative strategies via coordinated factor-model co-optimization. RD-Agent(Q) decomposes the quant process into two iterative stages: a Research stage that dynamically sets goal-aligned prompts, formulates hypotheses based on domain priors, and maps them to concrete tasks, and a Development stage that employs a code-generation agent, Co-STEER, to implement task-specific code, which is then executed in real-market backtests. The two stages are connected through a feedback stage that thoroughly evaluates experimental outcomes and informs subsequent iterations, with a multi-armed bandit scheduler for adaptive direction selection. Empirically, RD-Agent(Q) achieves up to 2X higher annualized returns than classical factor libraries using 70% fewer factors, and outperforms state-of-the-art deep time-series models on real markets. Its joint factor-model optimization delivers a strong balance between predictive accuracy and strategy robustness. Our code is available at: https://github.com/microsoft/RD-Agent.

LLM agents have emerged as powerful systems for tackling multi-turn tasks by interleaving internal reasoning and external tool interactions. Agentic Reinforcement Learning has recently drawn significant research attention as a critical post-training paradigm to further refine these capabilities. In this paper, we present AT^2PO (Agentic Turn-based Policy Optimization via Tree Search), a unified framework for multi-turn agentic RL that addresses three core challenges: limited exploration diversity, sparse credit assignment, and misaligned policy optimization. AT^2PO introduces a turn-level tree structure that jointly enables Entropy-Guided Tree Expansion for strategic exploration and Turn-wise Credit Assignment for fine-grained reward propagation from sparse outcomes. Complementing this, we propose Agentic Turn-based Policy Optimization, a turn-level learning objective that aligns policy updates with the natural decision granularity of agentic interactions. ATPO is orthogonal to tree search and can be readily integrated into any multi-turn RL pipeline. Experiments across seven benchmarks demonstrate consistent improvements over the state-of-the-art baseline by up to 1.84 percentage points in average, with ablation studies validating the effectiveness of each component. Our code is available at https://github.com/zzfoutofspace/ATPO.

Large language models (LLMs) possess strong multilingual capabilities, and combining Reinforcement Learning from Human Feedback (RLHF) with translation tasks has shown great potential. However, we observe that this paradigm performs unexpectedly poorly when applied to colloquial subtitle translation tasks. In this work, we investigate this issue and find that the offline reward model (RM) gradually diverges from the online LLM due to distributional shift, ultimately leading to undesirable training outcomes. To address this, we propose RIVAL, an adversarial training framework that formulates the process as a min-max game between the RM and the LLM. RIVAL iteratively updates the both models, with the RM trained to distinguish strong from weak translations (qualitative preference reward), and the LLM trained to enhance its translation for closing this gap. To stabilize training and improve generalizability, we also incorporate quantitative preference reward (e.g., BLEU) into the RM, enabling reference-free quality modeling aligned with human evaluation. Through extensive experiments, we demonstrate that the proposed adversarial training framework significantly improves upon translation baselines.

Reinforcement learning with verifiable rewards has emerged as a powerful paradigm for training intelligent agents. However, existing methods typically employ binary rewards that fail to capture quality differences among trajectories achieving identical outcomes, thereby overlooking potential diversity within the solution space. Inspired by the ``sweet spot'' concept in tennis-the racket's core region that produces optimal hitting effects, we introduce Sweet Spot Learning (SSL), a novel framework that provides differentiated guidance for agent optimization. SSL follows a simple yet effective principle: progressively amplified, tiered rewards guide policies toward the sweet-spot region of the solution space. This principle naturally adapts across diverse tasks: visual perception tasks leverage distance-tiered modeling to reward proximity, while complex reasoning tasks reward incremental progress toward promising solutions. We theoretically demonstrate that SSL preserves optimal solution ordering and enhances the gradient signal-to-noise ratio, thereby fostering more directed optimization. Extensive experiments across GUI perception, short/long-term planning, and complex reasoning tasks show consistent improvements over strong baselines on 12 benchmarks, achieving up to 2.5X sample efficiency gains and effective cross-task transferability. Our work establishes SSL as a general principle for training capable and robust agents.

While recent text-to-video (T2V) diffusion models have achieved impressive quality and prompt alignment, they often produce low-diversity outputs when sampling multiple videos from a single text prompt. We tackle this challenge by formulating it as a set-level policy optimization problem, with the goal of training a policy that can cover the diverse range of plausible outcomes for a given prompt. To address this, we introduce DPP-GRPO, a novel framework for diverse video generation that combines Determinantal Point Processes (DPPs) and Group Relative Policy Optimization (GRPO) theories to enforce explicit reward on diverse generations. Our objective turns diversity into an explicit signal by imposing diminishing returns on redundant samples (via DPP) while supplies groupwise feedback over candidate sets (via GRPO). Our framework is plug-and-play and model-agnostic, and encourages diverse generations across visual appearance, camera motions, and scene structure without sacrificing prompt fidelity or perceptual quality. We implement our method on WAN and CogVideoX, and show that our method consistently improves video diversity on state-of-the-art benchmarks such as VBench, VideoScore, and human preference studies. Moreover, we release our code and a new benchmark dataset of 30,000 diverse prompts to support future research.

We introduce KAPSO, a modular framework for autonomous program synthesis and optimization. Given a natural language goal and an evaluation method, KAPSO iteratively performs ideation, code synthesis and editing, execution, evaluation, and learning to improve a runnable artifact toward measurable objectives. Rather than treating synthesis as the endpoint, KAPSO uses synthesis as an operator within a long-horizon optimization loop, where progress is defined by evaluator outcomes. KAPSO targets long-horizon failures common in coding agents, including lost experimental state, brittle debugging, and weak reuse of domain expertise, by integrating three tightly coupled components. First, a git-native experimentation engine isolates each attempt as a branch, producing reproducible artifacts and preserving provenance across iterations. Second, a knowledge system ingests heterogeneous sources, including repositories, internal playbooks, and curated external resources such as documentation, scientific papers, and web search results, and organizes them into a structured representation that supports retrieval over workflows, implementations, and environment constraints. Third, a cognitive memory layer coordinates retrieval and maintains an episodic store of reusable lessons distilled from experiment traces (run logs, diffs, and evaluator feedback), reducing repeated error modes and accelerating convergence. We evaluated KAPSO on MLE-Bench (Kaggle-style ML competitions) and ALE-Bench (AtCoder heuristic optimization), and report end-to-end performance. Code Available at: https://github.com/Leeroo-AI/kapso

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process, i.e., agents' interaction trajectory leading to task completion, remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively. Our approach revisits and enhances former pilot trajectories through three key operations: revision, recombination, and refinement. This evolutionary mechanism enables two critical advantages: (1) it expands the search space beyond local optima by intelligently exploring diverse solution paths guided by previous trajectories, and (2) it leverages cross-trajectory inspiration to efficiently enhance performance while mitigating the impact of suboptimal reasoning paths. Through these mechanisms, SE-Agent achieves continuous self-evolution that incrementally improves reasoning quality. We evaluate SE-Agent on SWE-bench Verified to resolve real-world GitHub issues. Experimental results across five strong LLMs show that integrating SE-Agent delivers up to 55% relative improvement, achieving state-of-the-art performance among all open-source agents on SWE-bench Verified. Our code and demonstration materials are publicly available at https://github.com/JARVIS-Xs/SE-Agent.

Large language models (LLMs) have achieved remarkable progress in automatic code generation, yet their ability to produce high-performance code remains limited--a critical requirement in real-world software systems. We argue that current LLMs struggle not only due to data scarcity but, more importantly, because they lack supervision that guides interpretable and effective performance improvements. In this work, we introduce PerfCoder, a family of LLMs specifically designed to generate performance-enhanced code from source code via interpretable, customized optimizations. PerfCoder is fine-tuned on a curated collection of real-world optimization trajectories with human-readable annotations, and preference-aligned by reinforcement fine-tuning using runtime measurements, enabling it to propose input-specific improvement strategies and apply them directly without relying on iterative refinement. On the PIE code performance benchmark, PerfCoder surpasses all existing models in both runtime speedup and effective optimization rate, demonstrating that performance optimization cannot be achieved by scale alone but requires optimization stratetgy awareness. In addition, PerfCoder can generate interpretable feedback about the source code, which, when provided as input to a larger LLM in a planner-and-optimizer cooperative workflow, can further improve outcomes. Specifically, we elevate the performance of 32B models and GPT-5 to new levels on code optimization, substantially surpassing their original performance.

We present TALE, a novel training-free framework harnessing the generative capabilities of text-to-image diffusion models to address the cross-domain image composition task that focuses on flawlessly incorporating user-specified objects into a designated visual contexts regardless of domain disparity. Previous methods often involve either training auxiliary networks or finetuning diffusion models on customized datasets, which are expensive and may undermine the robust textual and visual priors of pre-trained diffusion models. Some recent works attempt to break the barrier by proposing training-free workarounds that rely on manipulating attention maps to tame the denoising process implicitly. However, composing via attention maps does not necessarily yield desired compositional outcomes. These approaches could only retain some semantic information and usually fall short in preserving identity characteristics of input objects or exhibit limited background-object style adaptation in generated images. In contrast, TALE is a novel method that operates directly on latent space to provide explicit and effective guidance for the composition process to resolve these problems. Specifically, we equip TALE with two mechanisms dubbed Adaptive Latent Manipulation and Energy-guided Latent Optimization. The former formulates noisy latents conducive to initiating and steering the composition process by directly leveraging background and foreground latents at corresponding timesteps, and the latter exploits designated energy functions to further optimize intermediate latents conforming to specific conditions that complement the former to generate desired final results. Our experiments demonstrate that TALE surpasses prior baselines and attains state-of-the-art performance in image-guided composition across various photorealistic and artistic domains.

Agent-based editing models have substantially advanced interactive experiences, processing quality, and creative flexibility. However, two critical challenges persist: (1) instruction hallucination, text-only chain-of-thought (CoT) reasoning cannot fully prevent factual errors due to inherent information bottlenecks; (2) reward hacking, dynamic policy optimization against static reward models allows agents to exploit flaws in reward functions. To address these issues, we propose JarvisEvo, a unified image editing agent that emulates an expert human designer by iteratively editing, selecting appropriate tools, evaluating results, and reflecting on its own decisions to refine outcomes. JarvisEvo offers three key advantages: (1) an interleaved multimodal chain-of-thought (iMCoT) reasoning mechanism that enhances instruction following and editing quality; (2) a synergistic editor-evaluator policy optimization (SEPO) framework that enables self-improvement without external rewards, effectively mitigating reward hacking; and (3) support for both global and local fine-grained editing through seamless integration of Adobe Lightroom. On ArtEdit-Bench, JarvisEvo outperforms Nano-Banana by an average of 18.95% on preservative editing metrics, including a substantial 44.96% improvement in pixel-level content fidelity. Project page: https://jarvisevo.vercel.app/

Despite superior training outcomes, adaptive optimization methods such as Adam, Adagrad or RMSprop have been found to generalize poorly compared to Stochastic gradient descent (SGD). These methods tend to perform well in the initial portion of training but are outperformed by SGD at later stages of training. We investigate a hybrid strategy that begins training with an adaptive method and switches to SGD when appropriate. Concretely, we propose SWATS, a simple strategy which switches from Adam to SGD when a triggering condition is satisfied. The condition we propose relates to the projection of Adam steps on the gradient subspace. By design, the monitoring process for this condition adds very little overhead and does not increase the number of hyperparameters in the optimizer. We report experiments on several standard benchmarks such as: ResNet, SENet, DenseNet and PyramidNet for the CIFAR-10 and CIFAR-100 data sets, ResNet on the tiny-ImageNet data set and language modeling with recurrent networks on the PTB and WT2 data sets. The results show that our strategy is capable of closing the generalization gap between SGD and Adam on a majority of the tasks.

Direct Preference Optimization (DPO) is a method for enhancing model performance by directly optimizing for the preferences or rankings of outcomes, instead of traditional loss functions. This approach has proven effective in aligning Large Language Models (LLMs) with human preferences. Despite its widespread use across various tasks, DPO has been criticized for its sensitivity to the effectiveness of Supervised Fine-Tuning (SFT) and its limitations in enabling models to learn human-preferred responses, leading to less satisfactory performance. To address these limitations, we propose Aligned Supervised Fine-Tuning (ASFT), an effective approach that better aligns LLMs with pair-wise datasets by optimizing absolute likelihood for each response, rather than using the Bradley-Terry model, and eliminates the need for a reference model. Through theoretical gradient analysis, we demonstrate that ASFT mitigates the issue where the DPO loss function decreases the probability of generating human-dispreferred data at a faster rate than it increases the probability of producing preferred data. Additionally, we compare ASFT to DPO and its latest variants, such as the single-step approach ORPO, using the latest instruction-tuned model Llama3, which has been fine-tuned on UltraFeedback and HH-RLHF. We evaluated performance on instruction-following benchmarks like MT-Bench and traditional text generation metrics such as BLEU-4 and ROUGE-L. Extensive experiments demonstrate that ASFT is an effective alignment approach, consistently outperforming existing methods.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

RL-based post-training with GRPO is widely used to improve large language models on individual reasoning tasks. However, real-world deployment requires reliable performance across diverse tasks. A straightforward multi-task adaptation of GRPO often leads to imbalanced outcomes, with some tasks dominating optimization while others stagnate. Moreover, tasks can vary widely in how frequently prompts yield zero advantages (and thus zero gradients), which further distorts their effective contribution to the optimization signal. To address these issues, we propose a novel Multi-Task GRPO (MT-GRPO) algorithm that (i) dynamically adapts task weights to explicitly optimize worst-task performance and promote balanced progress across tasks, and (ii) introduces a ratio-preserving sampler to ensure task-wise policy gradients reflect the adapted weights. Experiments on both 3-task and 9-task settings show that MT-GRPO consistently outperforms baselines in worst-task accuracy. In particular, MT-GRPO achieves 16-28% and 6% absolute improvement on worst-task performance over standard GRPO and DAPO, respectively, while maintaining competitive average accuracy. Moreover, MT-GRPO requires 50% fewer training steps to reach 50% worst-task accuracy in the 3-task setting, demonstrating substantially improved efficiency in achieving reliable performance across tasks.

The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.

We present an outcome-driven fine-tuning framework that enhances the forecasting capabilities of large language models (LLMs) without relying on human-curated reasoning samples. Our method leverages model self-play to generate pairs of diverse reasoning trajectories and probabilistic forecasts for a set of diverse questions that resolve after the models' knowledge cutoff date. We then rank pairs of these reasoning traces by their distance to the actual outcomes before fine-tuning the model via Direct Preference Optimization (DPO). On a separate test set, our approach increases prediction accuracy of Phi-4 14B and DeepSeek-R1 14B by between 7--10\% over a base model and a DPO fine-tuned control model with randomized labels, bringing them on par with forecasting capabilities of much larger frontier models like GPT-4o.

Diffusion models have demonstrated remarkable success in various visual generation tasks, including image, video, and 3D content generation. Preference optimization (PO) is a prominent and growing area of research that aims to align these models with human preferences. While existing PO methods primarily concentrate on producing favorable outputs, they often overlook the significance of classifier-free guidance (CFG) in mitigating undesirable results. Diffusion-NPO addresses this gap by introducing negative preference optimization (NPO), training models to generate outputs opposite to human preferences and thereby steering them away from unfavorable outcomes through CFG. However, prior NPO approaches rely on costly and fragile procedures for obtaining explicit preference annotations (e.g., manual pairwise labeling or reward model training), limiting their practicality in domains where such data are scarce or difficult to acquire. In this work, we propose Self-NPO, specifically truncated diffusion fine-tuning, a data-free approach of negative preference optimization by directly learning from the model itself, eliminating the need for manual data labeling or reward model training. This data-free approach is highly efficient (less than 1% training cost of Diffusion-NPO) and achieves comparable performance to Diffusion-NPO in a data-free manner. We demonstrate that Self-NPO integrates seamlessly into widely used diffusion models, including SD1.5, SDXL, and CogVideoX, as well as models already optimized for human preferences, consistently enhancing both their generation quality and alignment with human preferences. Code is available at https://github.com/G-U-N/Diffusion-NPO.

Aligning large language models (LLMs) with human values is an increasingly critical step in post-training. Direct Preference Optimization (DPO) has emerged as a simple, yet effective alternative to reinforcement learning from human feedback (RLHF). Synthetic preference data with its low cost and high quality enable effective alignment through single- or multi-model generated preference data. Our study reveals a striking, safety-specific phenomenon associated with DPO alignment: Although multi-model generated data enhances performance on general tasks (ARC, Hellaswag, MMLU, TruthfulQA, Winogrande) by providing diverse responses, it also tends to facilitate reward hacking during training. This can lead to a high attack success rate (ASR) when models encounter jailbreaking prompts. The issue is particularly pronounced when employing stronger models like GPT-4o or larger models in the same family to generate chosen responses paired with target model self-generated rejected responses, resulting in dramatically poorer safety outcomes. Furthermore, with respect to safety, using solely self-generated responses (single-model generation) for both chosen and rejected pairs significantly outperforms configurations that incorporate responses from stronger models, whether used directly as chosen data or as part of a multi-model response pool. We demonstrate that multi-model preference data exhibits high linear separability between chosen and rejected responses, which allows models to exploit superficial cues rather than internalizing robust safety constraints. Our experiments, conducted on models from the Llama, Mistral, and Qwen families, consistently validate these findings.

We tackle the challenge of concurrent reconstruction at the part level with the RGB appearance and estimation of motion parameters for building digital twins of articulated objects using the 3D Gaussian Splatting (3D-GS) method. With two distinct sets of multi-view imagery, each depicting an object in separate static articulation configurations, we reconstruct the articulated object in 3D Gaussian representations with both appearance and geometry information at the same time. Our approach decoupled multiple highly interdependent parameters through a multi-step optimization process, thereby achieving a stable optimization procedure and high-quality outcomes. We introduce ArticulatedGS, a self-supervised, comprehensive framework that autonomously learns to model shapes and appearances at the part level and synchronizes the optimization of motion parameters, all without reliance on 3D supervision, motion cues, or semantic labels. Our experimental results demonstrate that, among comparable methodologies, our approach has achieved optimal outcomes in terms of part segmentation accuracy, motion estimation accuracy, and visual quality.

Efficient performance estimation of architectures drawn from large search spaces is essential to Neural Architecture Search. One-Shot methods tackle this challenge by training one supernet to approximate the performance of every architecture in the search space via weight-sharing, thereby drastically reducing the search cost. However, due to coupled optimization between child architectures caused by weight-sharing, One-Shot supernet's performance estimation could be inaccurate, leading to degraded search outcomes. To address this issue, Few-Shot NAS reduces the level of weight-sharing by splitting the One-Shot supernet into multiple separated sub-supernets via edge-wise (layer-wise) exhaustive partitioning. Since each partition of the supernet is not equally important, it necessitates the design of a more effective splitting criterion. In this work, we propose a gradient matching score (GM) that leverages gradient information at the shared weight for making informed splitting decisions. Intuitively, gradients from different child models can be used to identify whether they agree on how to update the shared modules, and subsequently to decide if they should share the same weight. Compared with exhaustive partitioning, the proposed criterion significantly reduces the branching factor per edge. This allows us to split more edges (layers) for a given budget, resulting in substantially improved performance as NAS search spaces usually include dozens of edges (layers). Extensive empirical evaluations of the proposed method on a wide range of search spaces (NASBench-201, DARTS, MobileNet Space), datasets (cifar10, cifar100, ImageNet) and search algorithms (DARTS, SNAS, RSPS, ProxylessNAS, OFA) demonstrate that it significantly outperforms its Few-Shot counterparts while surpassing previous comparable methods in terms of the accuracy of derived architectures.

Personalized nutrition intervention for patients with multimorbidity is critical for improving health outcomes, yet remains challenging because it requires the simultaneous integration of heterogeneous clinical conditions, medications, and dietary guidelines. Single-agent large language models (LLMs) often suffer from context overload and attention dilution when processing such high-dimensional patient profiles. We introduce NutriOrion, a hierarchical multi-agent framework with a parallel-then-sequential reasoning topology. NutriOrion decomposes nutrition planning into specialized domain agents with isolated contexts to mitigate anchoring bias, followed by a conditional refinement stage. The framework includes a multi-objective prioritization algorithm to resolve conflicting dietary requirements and a safety constraint mechanism that injects pharmacological contraindications as hard negative constraints during synthesis, ensuring clinical validity by construction rather than post-hoc filtering. For clinical interoperability, NutriOrion maps synthesized insights into the ADIME standard and FHIR R4 resources. Evaluated on 330 stroke patients with multimorbidity, NutriOrion outperforms multiple baselines, including GPT-4.1 and alternative multi-agent architectures. It achieves a 12.1 percent drug-food interaction violation rate, demonstrates strong personalization with negative correlations (-0.26 to -0.35) between patient biomarkers and recommended risk nutrients, and yields clinically meaningful dietary improvements, including a 167 percent increase in fiber and a 27 percent increase in potassium, alongside reductions in sodium (9 percent) and sugars (12 percent).

Universal medical image segmentation models have emerged as a promising paradigm due to their strong generalizability across diverse tasks, showing great potential for a wide range of clinical applications. This potential has been partly driven by the success of general-purpose vision models such as the Segment Anything Model (SAM), which has inspired the development of various fine-tuned variants for medical segmentation tasks. However, fine-tuned variants like MedSAM are trained on comparatively limited medical imaging data that often suffers from heterogeneity, scarce annotations, and distributional shifts. These challenges limit their ability to generalize across a wide range of medical segmentation tasks. In this regard, we propose MedSAMix, a training-free model merging method that integrates the strengths of both generalist models (e.g., SAM) and specialist models (e.g., MedSAM) for medical image segmentation. In contrast to traditional model merging approaches that rely on manual configuration and often result in suboptimal outcomes, we propose a zero-order optimization method to automatically discover optimal layer-wise merging solutions. Furthermore, for clinical applications, we develop two regimes to meet the demand of domain-specificity and generalizability in different scenarios by single-task optimization and multi-objective optimization respectively. Extensive evaluations on 25 medical segmentation tasks demonstrate that MedSAMix effectively mitigates model bias and consistently improves performance in both domain-specific accuracy and generalization, achieving improvements of 6.67% on specialized tasks and 4.37% on multi-task evaluations.

This paper identifies the misinterpretation of the context can be a significant issue during the reasoning process of large language models, spanning from smaller models like Llama3.2-3B-Instruct to cutting-edge ones like DeepSeek-R1. For example, in the phrase "10 dollars per kilo," LLMs might not recognize that "per" means "for each," leading to calculation errors. We introduce a novel, post-training approach called **Stick to the Facts (SIFT)** to tackle this. SIFT leverages increasing inference-time compute to ground LLM reasoning in contexts. At the core of SIFT lies the *Sticker*, which is generated by the model itself to explicitly emphasize the key information within the context. Given the curated Sticker, SIFT generates two predictions -- one from the original query and one from the query augmented with the Sticker. If they differ, the Sticker is sequentially refined via *forward* optimization (to better align the extracted facts with the query) and *inverse* generation (to conform with the model's inherent tendencies) for more faithful reasoning outcomes. Studies across diverse models (from 3B to 100B+) and benchmarks (e.g., GSM8K, MATH-500) reveal consistent performance improvements. Notably, SIFT improves the pass@1 accuracy of DeepSeek-R1 on AIME2024 from 78.33% to **85.67**%, establishing a new state-of-the-art in the open-source community. The code is available at https://github.com/zhijie-group/SIFT.

LLM-based software engineering is influencing modern software development. In addition to correctness, prior studies have also examined the performance of software artifacts generated by AI agents. However, it is unclear how exactly the agentic AI systems address performance concerns in practice. In this paper, we present an empirical study of performance-related pull requests generated by AI agents. Using LLM-assisted detection and BERTopic-based topic modeling, we identified 52 performance-related topics grouped into 10 higher-level categories. Our results show that AI agents apply performance optimizations across diverse layers of the software stack and that the type of optimization significantly affects pull request acceptance rates and review times. We also found that performance optimization by AI agents primarily occurs during the development phase, with less focus on the maintenance phase. Our findings provide empirical evidence that can support the evaluation and improvement of agentic AI systems with respect to their performance optimization behaviors and review outcomes.

Large language models (LLMs) have shown strong performance in Verilog generation from natural language description. However, ensuring the functional correctness of the generated code remains a significant challenge. This paper introduces a method that integrates verification insights from testbench into the training of Verilog generation LLMs, aligning the training with the fundamental goal of hardware design: functional correctness. The main obstacle in using LLMs for Verilog code generation is the lack of sufficient functional verification data, particularly testbenches paired with design specifications and code. To address this problem, we introduce an automatic testbench generation pipeline that decomposes the process and uses feedback from the Verilog compiler simulator (VCS) to reduce hallucination and ensure correctness. We then use the testbench to evaluate the generated codes and collect them for further training, where verification insights are introduced. Our method applies reinforcement learning (RL), specifically direct preference optimization (DPO), to align Verilog code generation with functional correctness by training preference pairs based on testbench outcomes. In evaluations on VerilogEval-Machine, VerilogEval-Human, RTLLM v1.1, RTLLM v2, and VerilogEval v2, our approach consistently outperforms state-of-the-art baselines in generating functionally correct Verilog code. We open source all training code, data, and models at https://anonymous.4open.science/r/VeriPrefer-E88B.

As LLMs occupy an increasingly important role in society, they are more and more confronted with questions that require them not only to draw on their general knowledge but also to align with certain human value systems. Therefore, studying the alignment of LLMs with human values has become a crucial field of inquiry. Prior work, however, mostly focuses on evaluating the alignment of fully trained models, overlooking the training dynamics by which models learn to express human values. In this work, we investigate how and at which stage value alignment arises during the course of a model's post-training. Our analysis disentangles the effects of post-training algorithms and datasets, measuring both the magnitude and time of value drifts during training. Experimenting with Llama-3 and Qwen-3 models of different sizes and popular supervised fine-tuning (SFT) and preference optimization datasets and algorithms, we find that the SFT phase generally establishes a model's values, and subsequent preference optimization rarely re-aligns these values. Furthermore, using a synthetic preference dataset that enables controlled manipulation of values, we find that different preference optimization algorithms lead to different value alignment outcomes, even when preference data is held constant. Our findings provide actionable insights into how values are learned during post-training and help to inform data curation, as well as the selection of models and algorithms for preference optimization to improve model alignment to human values.

This paper presents a novel preconditioning strategy for the classic 8-point algorithm (8-PA) for estimating an essential matrix from 360-FoV images (i.e., equirectangular images) in spherical projection. To alleviate the effect of uneven key-feature distributions and outlier correspondences, which can potentially decrease the accuracy of an essential matrix, our method optimizes a non-rigid transformation to deform a spherical camera into a new spatial domain, defining a new constraint and a more robust and accurate solution for an essential matrix. Through several experiments using random synthetic points, 360-FoV, and fish-eye images, we demonstrate that our normalization can increase the camera pose accuracy by about 20% without significantly overhead the computation time. In addition, we present further benefits of our method through both a constant weighted least-square optimization that improves further the well known Gold Standard Method (GSM) (i.e., the non-linear optimization by using epipolar errors); and a relaxation of the number of RANSAC iterations, both showing that our normalization outcomes a more reliable, robust, and accurate solution.

We present the content deformation field CoDeF as a new type of video representation, which consists of a canonical content field aggregating the static contents in the entire video and a temporal deformation field recording the transformations from the canonical image (i.e., rendered from the canonical content field) to each individual frame along the time axis.Given a target video, these two fields are jointly optimized to reconstruct it through a carefully tailored rendering pipeline.We advisedly introduce some regularizations into the optimization process, urging the canonical content field to inherit semantics (e.g., the object shape) from the video.With such a design, CoDeF naturally supports lifting image algorithms for video processing, in the sense that one can apply an image algorithm to the canonical image and effortlessly propagate the outcomes to the entire video with the aid of the temporal deformation field.We experimentally show that CoDeF is able to lift image-to-image translation to video-to-video translation and lift keypoint detection to keypoint tracking without any training.More importantly, thanks to our lifting strategy that deploys the algorithms on only one image, we achieve superior cross-frame consistency in processed videos compared to existing video-to-video translation approaches, and even manage to track non-rigid objects like water and smog.Project page can be found at https://qiuyu96.github.io/CoDeF/.

Optimization underpins decision-making in domains from healthcare to logistics, yet for many practitioners it remains a "magical box": powerful but opaque, difficult to use, and reliant on specialized expertise. While prior work has extensively studied machine learning workflows, the everyday practices of optimization model developers (OMDs) have received little attention. We conducted semi-structured interviews with 15 OMDs across diverse domains to examine how optimization is done in practice. Our findings reveal a highly iterative workflow spanning six stages: problem elicitation, data processing, model development, implementation, validation, and deployment. Importantly, we find that optimization practice is not only about algorithms that deliver better decisions, but is equally shaped by data and dialogue - the ongoing communication with stakeholders that enables problem framing, trust, and adoption. We discuss opportunities for future tooling that foregrounds data and dialogue alongside decision-making, opening new directions for human-centered optimization.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Optimization Modeling (OM) is essential for solving complex decision-making problems. However, the process remains time-consuming and error-prone, heavily relying on domain experts. While Large Language Models (LLMs) show promise in addressing these challenges through their natural language understanding and reasoning capabilities, current approaches face three critical limitations: high benchmark labeling error rates reaching up to 42%, narrow evaluation scope that only considers optimal values, and computational inefficiency due to heavy reliance on multi-agent systems or model fine-tuning. In this work, we first enhance existing datasets through systematic error correction and more comprehensive annotation. Additionally, we introduce LogiOR, a new optimization modeling benchmark from the logistics domain, containing more complex problems with standardized annotations. Furthermore, we present ORThought, a novel framework that leverages expert-level optimization modeling principles through chain-of-thought reasoning to automate the OM process. Through extensive empirical evaluation, we demonstrate that ORThought outperforms existing approaches, including multi-agent frameworks, with particularly significant advantages on complex optimization problems. Finally, we provide a systematic analysis of our method, identifying critical success factors and failure modes, providing valuable insights for future research on LLM-based optimization modeling.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

The recent development of Large Language Models (LLMs) has been accompanied by an effervescence of novel ideas and methods to better optimize the loss of deep learning models. Claims from those methods are myriad: from faster convergence to removing reliance on certain hyperparameters. However, the diverse experimental protocols used to validate these claims make direct comparisons between methods challenging. This study presents a comprehensive evaluation of recent optimization techniques across standardized LLM pretraining scenarios, systematically varying model size, batch size, and training duration. Through careful tuning of each method, we provide guidance to practitioners on which optimizer is best suited for each scenario. For researchers, our work highlights promising directions for future optimization research. Finally, by releasing our code and making all experiments fully reproducible, we hope our efforts can help the development and rigorous benchmarking of future methods.

Optimization is ubiquitous. While derivative-based algorithms have been powerful tools for various problems, the absence of gradient imposes challenges on many real-world applications. In this work, we propose Optimization by PROmpting (OPRO), a simple and effective approach to leverage large language models (LLMs) as optimizers, where the optimization task is described in natural language. In each optimization step, the LLM generates new solutions from the prompt that contains previously generated solutions with their values, then the new solutions are evaluated and added to the prompt for the next optimization step. We first showcase OPRO on linear regression and traveling salesman problems, then move on to prompt optimization where the goal is to find instructions that maximize the task accuracy. With a variety of LLMs, we demonstrate that the best prompts optimized by OPRO outperform human-designed prompts by up to 8% on GSM8K, and by up to 50% on Big-Bench Hard tasks.

This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.

Large Language Models (LLMs) have demonstrated impressive progress in optimization modeling, fostering a rapid expansion of new methodologies and evaluation benchmarks. However, the boundaries of their capabilities in automated formulation and problem solving remain poorly understood, particularly when extending to complex, real-world tasks. To bridge this gap, we propose OPT-ENGINE, an extensible benchmark framework designed to evaluate LLMs on optimization modeling with controllable and scalable difficulty levels. OPT-ENGINE spans 10 canonical tasks across operations research, with five Linear Programming and five Mixed-Integer Programming. Utilizing OPT-ENGINE, we conduct an extensive study of LLMs' reasoning capabilities, addressing two critical questions: 1.) Do LLMs' performance remain robust when generalizing to out-of-distribution optimization tasks that scale in complexity beyond current benchmark levels? and 2.) At what stage, from problem interpretation to solution generation, do current LLMs encounter the most significant bottlenecks? Our empirical results yield two key insights: first, tool-integrated reasoning with external solvers exhibits significantly higher robustness as task complexity escalates, while pure-text reasoning reaches a ceiling; second, the automated formulation of constraints constitutes the primary performance bottleneck. These findings provide actionable guidance for developing next-generation LLMs for advanced optimization. Our code is publicly available at blue{https://github.com/Cardinal-Operations/OPTEngine}.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

Due to the nonlinear nature of Deep Neural Networks (DNNs), one can not guarantee convergence to a unique global minimum of the loss when using optimizers relying only on local information, such as SGD. Indeed, this was a primary source of skepticism regarding the feasibility of DNNs in the early days of the field. The past decades of progress in deep learning have revealed this skepticism to be misplaced, and a large body of empirical evidence shows that sufficiently large DNNs following standard training protocols exhibit well-behaved optimization dynamics that converge to performant solutions. This success has biased the community to use convex optimization as a mental model for learning, leading to a focus on training efficiency, either in terms of required iteration, FLOPs or wall-clock time, when improving optimizers. We argue that, while this perspective has proven extremely fruitful, another perspective specific to DNNs has received considerably less attention: the optimizer not only influences the rate of convergence, but also the qualitative properties of the learned solutions. Restated, the optimizer can and will encode inductive biases and change the effective expressivity of a given class of models. Furthermore, we believe the optimizer can be an effective way of encoding desiderata in the learning process. We contend that the community should aim at understanding the biases of already existing methods, as well as aim to build new optimizers with the explicit intent of inducing certain properties of the solution, rather than solely judging them based on their convergence rates. We hope our arguments will inspire research to improve our understanding of how the learning process can impact the type of solution we converge to, and lead to a greater recognition of optimizers design as a critical lever that complements the roles of architecture and data in shaping model outcomes.

Optimization modeling is fundamental to decision-making across diverse domains.Despite progress in automating optimization formulation from natural language descriptions, Large Language Models (LLMs) often struggle to generate formally correct and usable models due to hallucinations, posing a challenge for reliable automation. Inspired by the success of Reinforcement Learning (RL) in enhancing Large Reasoning Models, we present Solver-Informed Reinforcement Learning (SIRL).This novel framework leverages external optimization solvers as verifiable reward mechanisms to significantly improve the authenticity of LLMs for optimization modeling.Acting as precise verifiers, these solvers automatically assess the executable code and the instance-level mathematical model represented by the associated LP file, yielding precise and comprehensive feedback signals -- including syntax, feasibility, and solution quality that directly inform the RL process. This automated verification process, powered by classic optimization solvers, also underpins our instance-enhanced self-consistency method to synthesize high-quality training data. Extensive experiments on diverse public benchmarks demonstrate that SIRL achieves state-of-the-art performance, substantially outperforming existing methods in generating accurate and executable optimization models.

Optimization modeling enables critical decisions across industries but remains difficult to automate: informal language must be mapped to precise mathematical formulations and executable solver code. Prior LLM approaches either rely on brittle prompting or costly retraining with limited generalization. We present AlphaOPT, a self-improving experience library that enables an LLM to learn from limited demonstrations (even answers alone, without gold-standard programs) and solver feedback - without annotated reasoning traces or parameter updates. AlphaOPT operates in a continual two-phase cycle: (i) a Library Learning phase that reflects on failed attempts, extracting solver-verified, structured insights as {taxonomy, condition, explanation, example}; and (ii) a Library Evolution phase that diagnoses retrieval misalignments and refines the applicability conditions of stored insights, improving transfer across tasks. This design (1) learns efficiently from limited demonstrations without curated rationales, (2) expands continually without costly retraining by updating the library rather than model weights, and (3) makes knowledge explicit and interpretable for human inspection and intervention. Experiments show that AlphaOPT steadily improves with more data (65% to 72% from 100 to 300 training items) and surpasses the strongest baseline by 7.7% on the out-of-distribution OptiBench dataset when trained only on answers. Code and data are available at: https://github.com/Minw913/AlphaOPT.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

Learned optimizers have been an active research topic over the past decade, with increasing progress toward practical, general-purpose optimizers that can serve as drop-in replacements for widely used methods like Adam. However, recent advances -- such as VeLO, which was meta-trained for 4000 TPU-months -- remain largely inaccessible to the broader community, in part due to their reliance on JAX and the absence of user-friendly packages for applying the optimizers after meta-training. To address this gap, we introduce PyLO, a PyTorch-based library that brings learned optimizers to the broader machine learning community through familiar, widely adopted workflows. Unlike prior work focused on synthetic or convex tasks, our emphasis is on applying learned optimization to real-world large-scale pre-training tasks. Our release includes a CUDA-accelerated version of the small_fc_lopt learned optimizer architecture from (Metz et al., 2022a), delivering substantial speedups -- from 39.36 to 205.59 samples/sec throughput for training ViT B/16 with batch size 32. PyLO also allows us to easily combine learned optimizers with existing optimization tools such as learning rate schedules and weight decay. When doing so, we find that learned optimizers can substantially benefit. Our code is available at https://github.com/Belilovsky-Lab/pylo

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.

Optimization problems are pervasive across various sectors, from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers, as the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. We introduce OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve MILP problems from their natural language descriptions. OptiMUS is capable of developing mathematical models, writing and debugging solver code, developing tests, and checking the validity of generated solutions. To benchmark our agent, we present NLP4LP, a novel dataset of linear programming (LP) and mixed integer linear programming (MILP) problems. Our experiments demonstrate that OptiMUS solves nearly twice as many problems as a basic LLM prompting strategy. OptiMUS code and NLP4LP dataset are available at https://github.com/teshnizi/OptiMUS{https://github.com/teshnizi/OptiMUS}

Learning to Optimize (L2O), a technique that utilizes machine learning to learn an optimization algorithm automatically from data, has gained arising attention in recent years. A generic L2O approach parameterizes the iterative update rule and learns the update direction as a black-box network. While the generic approach is widely applicable, the learned model can overfit and may not generalize well to out-of-distribution test sets. In this paper, we derive the basic mathematical conditions that successful update rules commonly satisfy. Consequently, we propose a novel L2O model with a mathematics-inspired structure that is broadly applicable and generalized well to out-of-distribution problems. Numerical simulations validate our theoretical findings and demonstrate the superior empirical performance of the proposed L2O model.

Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems.

Multi-agent systems (MAS) are critical for automating complex tasks, yet their practical deployment is severely hampered by the challenge of failure attribution. Current diagnostic tools, which rely on statistical correlations, are fundamentally inadequate; on challenging benchmarks like Who\&When, state-of-the-art methods achieve less than 15\% accuracy in locating the root-cause step of a failure. To address this critical gap, we introduce the first failure attribution framework for MAS grounded in multi-granularity causal inference. Our approach makes two key technical contributions: (1) a performance causal inversion principle, which correctly models performance dependencies by reversing the data flow in execution logs, combined with Shapley values to accurately assign agent-level blame; (2) a novel causal discovery algorithm, CDC-MAS, that robustly identifies critical failure steps by tackling the non-stationary nature of MAS interaction data. The framework's attribution results directly fuel an automated optimization loop, generating targeted suggestions whose efficacy is validated via counterfactual simulations. Evaluations on the Who\&When and TRAIL benchmarks demonstrate a significant leap in performance. Our method achieves up to 36.2\% step-level accuracy. Crucially, the generated optimizations boost overall task success rates by an average of 22.4\%. This work provides a principled and effective solution for debugging complex agent interactions, paving the way for more reliable and interpretable multi-agent systems.

Mathematical programming -- the task of expressing operations and decision-making problems in precise mathematical language -- is fundamental across domains, yet remains a skill-intensive process requiring operations research expertise. Recent advances in large language models for complex reasoning have spurred interest in automating this task, translating natural language into executable optimization models. Current approaches, however, achieve limited accuracy, hindered by scarce and noisy training data without leveraging domain knowledge. In this work, we systematically integrate optimization expertise to improve formulation accuracy for mixed-integer linear programming, a key family of mathematical programs. Our approach first cleans training data through class-based error analysis to explicitly prevent common mistakes within each optimization class. We then develop multi-turn inference strategies that guide LLMs with class-specific error summaries and solver feedback, enabling iterative refinement. Experiments across multiple base LLMs demonstrate that combining cleaned data with domain-informed prompting and feedback improves formulation accuracy by 14 percentage points on average, enabling further progress toward robust LLM-assisted optimization formulation.

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. This paper introduces OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve (mixed integer) linear programming problems from their natural language descriptions. OptiMUS can develop mathematical models, write and debug solver code, evaluate the generated solutions, and improve its model and code based on these evaluations. OptiMUS utilizes a modular structure to process problems, allowing it to handle problems with long descriptions and complex data without long prompts. Experiments demonstrate that OptiMUS outperforms existing state-of-the-art methods on easy datasets by more than 20% and on hard datasets (including a new dataset, NLP4LP, released with this paper that features long and complex problems) by more than 30%.

The Natural Language for Optimization (NL4Opt) Competition was created to investigate methods of extracting the meaning and formulation of an optimization problem based on its text description. Specifically, the goal of the competition is to increase the accessibility and usability of optimization solvers by allowing non-experts to interface with them using natural language. We separate this challenging goal into two sub-tasks: (1) recognize and label the semantic entities that correspond to the components of the optimization problem; (2) generate a meaning representation (i.e., a logical form) of the problem from its detected problem entities. The first task aims to reduce ambiguity by detecting and tagging the entities of the optimization problems. The second task creates an intermediate representation of the linear programming (LP) problem that is converted into a format that can be used by commercial solvers. In this report, we present the LP word problem dataset and shared tasks for the NeurIPS 2022 competition. Furthermore, we investigate and compare the performance of the ChatGPT large language model against the winning solutions. Through this competition, we hope to bring interest towards the development of novel machine learning applications and datasets for optimization modeling.

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design optimization process is one that can reduce the time from inception to design. In this work, we take a class of design problem, that is computationally cheap to evaluate but has high dimensional design space. In such cases, traditional surrogate-based optimization does not offer any benefits. In this work, we propose an alternative way to use ML model to surrogate the design process that formulates the search problem as an inverse problem and can save time by finding the optimal design or at least a good initial seed design for optimization. By using this trained surrogate model with the traditional optimization method, we can get the best of both worlds. We call this as Surrogate Assisted Optimization (SAO)- a hybrid approach by mixing ML surrogate with the traditional optimization method. Empirical evaluations of propeller design problems show that a better efficient design can be found in fewer evaluations using SAO.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

The alignment of large language models (LLMs) with human values is critical as these models become increasingly integrated into various societal and decision-making processes. Traditional methods, such as reinforcement learning from human feedback (RLHF), achieve alignment by fine-tuning model parameters, but these approaches are often computationally expensive and impractical when models are frozen or inaccessible for parameter modification. In contrast, prompt optimization is a viable alternative to RLHF for LLM alignment. While the existing literature has shown empirical promise of prompt optimization, its theoretical underpinning remains under-explored. We address this gap by formulating prompt optimization as an optimization problem and try to provide theoretical insights into the optimality of such a framework. To analyze the performance of the prompt optimization, we study theoretical suboptimality bounds and provide insights in terms of how prompt optimization depends upon the given prompter and target model. We also provide empirical validation through experiments on various datasets, demonstrating that prompt optimization can effectively align LLMs, even when parameter fine-tuning is not feasible.

Recent research has leveraged large language model multi-agent systems for complex problem-solving while trying to reduce the manual effort required to build them, driving the development of automated agent workflow optimization methods. However, existing methods remain inflexible due to representational limitations, a lack of adaptability, and poor scalability when relying on discrete optimization techniques. We address these challenges with ScoreFlow, a simple yet high-performance framework that leverages efficient gradient-based optimization in a continuous space. ScoreFlow incorporates Score-DPO, a novel variant of the direct preference optimization method that accounts for quantitative feedback. Across six benchmarks spanning question answering, coding, and mathematical reasoning, ScoreFlow achieves an 8.2% improvement over existing baselines. Moreover, it empowers smaller models to outperform larger ones with lower inference costs. Project: https://github.com/Gen-Verse/ScoreFlow

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Generative optimization uses large language models (LLMs) to iteratively improve artifacts (such as code, workflows or prompts) using execution feedback. It is a promising approach to building self-improving agents, yet in practice remains brittle: despite active research, only 9% of surveyed agents used any automated optimization. We argue that this brittleness arises because, to set up a learning loop, an engineer must make ``hidden'' design choices: What can the optimizer edit and what is the "right" learning evidence to provide at each update? We investigate three factors that affect most applications: the starting artifact, the credit horizon for execution traces, and batching trials and errors into learning evidence. Through case studies in MLAgentBench, Atari, and BigBench Extra Hard, we find that these design decisions can determine whether generative optimization succeeds, yet they are rarely made explicit in prior work. Different starting artifacts determine which solutions are reachable in MLAgentBench, truncated traces can still improve Atari agents, and larger minibatches do not monotonically improve generalization on BBEH. We conclude that the lack of a simple, universal way to set up learning loops across domains is a major hurdle for productionization and adoption. We provide practical guidance for making these choices.

Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent developments in steering protein generative models (e.g diffusion models, language models) offer a promising approach. However, by and large, past studies have optimized surrogate rewards and/or utilized large amounts of labeled data for steering, making it unclear how well existing methods perform and compare to each other in real-world optimization campaigns where fitness is measured by low-throughput wet-lab assays. In this study, we explore fitness optimization using small amounts (hundreds) of labeled sequence-fitness pairs and comprehensively evaluate strategies such as classifier guidance and posterior sampling for guiding generation from different discrete diffusion models of protein sequences. We also demonstrate how guidance can be integrated into adaptive sequence selection akin to Thompson sampling in Bayesian optimization, showing that plug-and-play guidance strategies offer advantages compared to alternatives such as reinforcement learning with protein language models.

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

We study the potential of using large language models (LLMs) as an interactive optimizer for solving maximization problems in a text space using natural language and numerical feedback. Inspired by the classical optimization literature, we classify the natural language feedback into directional and non-directional, where the former is a generalization of the first-order feedback to the natural language space. We find that LLMs are especially capable of optimization when they are provided with {directional feedback}. Based on this insight, we design a new LLM-based optimizer that synthesizes directional feedback from the historical optimization trace to achieve reliable improvement over iterations. Empirically, we show our LLM-based optimizer is more stable and efficient in solving optimization problems, from maximizing mathematical functions to optimizing prompts for writing poems, compared with existing techniques.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

Learning to optimize has emerged as a powerful framework for various optimization and machine learning tasks. Current such "meta-optimizers" often learn in the space of continuous optimization algorithms that are point-based and uncertainty-unaware. To overcome the limitations, we propose a meta-optimizer that learns in the algorithmic space of both point-based and population-based optimization algorithms. The meta-optimizer targets at a meta-loss function consisting of both cumulative regret and entropy. Specifically, we learn and interpret the update formula through a population of LSTMs embedded with sample- and feature-level attentions. Meanwhile, we estimate the posterior directly over the global optimum and use an uncertainty measure to help guide the learning process. Empirical results over non-convex test functions and the protein-docking application demonstrate that this new meta-optimizer outperforms existing competitors.

The efficacy of large language models (LLMs) in understanding and generating natural language has aroused a wide interest in developing prompt-based methods to harness the power of black-box LLMs. Existing methodologies usually prioritize a global optimization for finding the global optimum, which however will perform poorly in certain tasks. This thus motivates us to re-think the necessity of finding a global optimum in prompt optimization. To answer this, we conduct a thorough empirical study on prompt optimization and draw two major insights. Contrasting with the rarity of global optimum, local optima are usually prevalent and well-performed, which can be more worthwhile for efficient prompt optimization (Insight I). The choice of the input domain, covering both the generation and the representation of prompts, affects the identification of well-performing local optima (Insight II). Inspired by these insights, we propose a novel algorithm, namely localized zeroth-order prompt optimization (ZOPO), which incorporates a Neural Tangent Kernel-based derived Gaussian process into standard zeroth-order optimization for an efficient search of well-performing local optima in prompt optimization. Remarkably, ZOPO outperforms existing baselines in terms of both the optimization performance and the query efficiency, which we demonstrate through extensive experiments.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

Outcome-driven reinforcement learning has advanced reasoning in large language models (LLMs), but prevailing tool-augmented approaches train a single, monolithic policy that interleaves thoughts and tool calls under full context; this scales poorly with long horizons and diverse tools and generalizes weakly to new scenarios. Agentic systems offer a promising alternative by decomposing work across specialized modules, yet most remain training-free or rely on offline training decoupled from the live dynamics of multi-turn interaction. We introduce AgentFlow, a trainable, in-the-flow agentic framework that coordinates four modules (planner, executor, verifier, generator) through an evolving memory and directly optimizes its planner inside the multi-turn loop. To train on-policy in live environments, we propose Flow-based Group Refined Policy Optimization (Flow-GRPO), which tackles long-horizon, sparse-reward credit assignment by converting multi-turn optimization into a sequence of tractable single-turn policy updates. It broadcasts a single, verifiable trajectory-level outcome to every turn to align local planner decisions with global success and stabilizes learning with group-normalized advantages. Across ten benchmarks, AgentFlow with a 7B-scale backbone outperforms top-performing baselines with average accuracy gains of 14.9% on search, 14.0% on agentic, 14.5% on mathematical, and 4.1% on scientific tasks, even surpassing larger proprietary models like GPT-4o. Further analyses confirm the benefits of in-the-flow optimization, showing improved planning, enhanced tool-calling reliability, and positive scaling with model size and reasoning turns.

Test-time scaling has enabled Large Language Models (LLMs) with remarkable reasoning capabilities, particularly in mathematical domains, through intermediate chain-of-thought (CoT) reasoning before generating final answers. However, the specific sources and mechanisms underlying these reasoning capabilities remain insufficiently understood. Optimization reasoning, i.e. finding extrema under constraints, represents a fundamental abstraction that underpins critical applications in planning, control, resource allocation, and prompt search. To systematically evaluate this capability, we introduce ExtremBench, a benchmark dataset for solving mathematical extremal problems, curated from inequality exercises used for Chinese Mathematical Olympiad and transformed into 93 standardized extrema-finding problems. We conduct extensive evaluations across various state-of-the-art open-source model families, including the Qwen3, GPT-OSS, and DeepSeek. Our results reveal that LLMs' extremal-solving reasoning capabilities do not always align with those of current mathematical benchmarks such as AIME25 and MATH-500, with some models showing strong general mathematical reasoning but poor extremal-solving skills, and vice versa. This discrepancy highlights a critical gap in current evaluation practices and suggests that existing benchmarks may not comprehensively capture the full spectrum of mathematical reasoning abilities.

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on its performance on a set of training problems. This data-driven procedure generates methods that can efficiently solve problems similar to those in the training. In sharp contrast, the typical and traditional designs of optimization methods are theory-driven, so they obtain performance guarantees over the classes of problems specified by the theory. The difference makes L2O suitable for repeatedly solving a certain type of optimization problems over a specific distribution of data, while it typically fails on out-of-distribution problems. The practicality of L2O depends on the type of target optimization, the chosen architecture of the method to learn, and the training procedure. This new paradigm has motivated a community of researchers to explore L2O and report their findings. This article is poised to be the first comprehensive survey and benchmark of L2O for continuous optimization. We set up taxonomies, categorize existing works and research directions, present insights, and identify open challenges. We also benchmarked many existing L2O approaches on a few but representative optimization problems. For reproducible research and fair benchmarking purposes, we released our software implementation and data in the package Open-L2O at https://github.com/VITA-Group/Open-L2O.

We propose Process-Aware Policy Optimization (PAPO), a method that integrates process-level evaluation into Group Relative Policy Optimization (GRPO) through decoupled advantage normalization, to address two limitations of existing reward designs. Outcome reward models (ORM) evaluate only final-answer correctness, treating all correct responses identically regardless of reasoning quality, and gradually lose the advantage signal as groups become uniformly correct. Process reward models (PRM) offer richer supervision, but directly using PRM scores causes reward hacking, where models exploit verbosity to inflate scores while accuracy collapses. PAPO resolves both by composing the advantage from an outcome component Aout, derived from ORM and normalized over all responses, and a process component Aproc, derived from a rubric-based PRM and normalized exclusively among correct responses. This decoupled design ensures that Aout anchors training on correctness while Aproc differentiates reasoning quality without distorting the outcome signal. Experiments across multiple model scales and six benchmarks demonstrate that PAPO consistently outperforms ORM, reaching 51.3% vs.\ 46.3% on OlympiadBench while continuing to improve as ORM plateaus and declines.

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

Large Language Models (LLMs) have demonstrated remarkable problem-solving and basic mathematics abilities. However, their efficacy is highly contingent on the formulation of the prompt. This study endeavors to quantify the influence of incorporating "positive thinking" into the system message of the prompt, then compare that to systematic prompt optimization. We assess the performance of 60 combinations of system message snippets, tested with and without Chain of Thought prompting, across three models with parameters ranging from 7 to 70 billion on the GSM8K dataset. Our findings reveal that results do not universally generalize across models. In most instances, the inclusion of "positive thinking" prompts positively affected model performance. Notably, however, Llama2-70B exhibited an exception when not utilizing Chain of Thought, as the optimal system message was found to be none at all. Given the combinatorial complexity, and thus computation time, of experimenting with hand-tuning prompts for large black-box models, we then compared the performance of the best "positive thinking" prompt against the output of systematic prompt optimization. We show that employing an automated prompt optimizer emerges as the most effective method for enhancing performance, even when working with smaller open-source models. Additionally, our findings reveal that the highest-scoring, automatically-optimized prompt exhibits a degree of peculiarity far beyond expectations.

The class of direct preference optimization (DPO) algorithms has emerged as a promising approach for solving the alignment problem in foundation models. These algorithms work with very limited feedback in the form of pairwise preferences and fine-tune models to align with these preferences without explicitly learning a reward model. While the form of feedback used by these algorithms makes the data collection process easy and relatively more accurate, its ambiguity in terms of the quality of responses could have negative implications. For example, it is not clear if a decrease (increase) in the likelihood of preferred (dispreferred) responses during the execution of these algorithms could be interpreted as a positive or negative phenomenon. In this paper, we study how to design algorithms that can leverage additional information in the form of rating gap, which informs the learner how much the chosen response is better than the rejected one. We present new algorithms that can achieve faster statistical rates than DPO in presence of accurate rating gap information. Moreover, we theoretically prove and empirically show that the performance of our algorithms is robust to inaccuracy in rating gaps. Finally, we demonstrate the solid performance of our methods in comparison to a number of DPO-style algorithms across a wide range of LLMs and evaluation benchmarks.

Mehta and Panigrahi (2012) proposed Online Matching with Stochastic Rewards, which generalizes the Online Bipartite Matching problem of Karp, Vazirani, and Vazirani (1990) by associating the edges with success probabilities. This new feature captures the pay-per-click model in online advertising. Recently, Huang and Zhang (2020) studied this problem under the online primal dual framework using the Configuration Linear Program (LP), and got the best known competitive ratios of the Stochastic Balance algorithm. Their work suggests that the more expressive Configuration LP is more suitable for this problem than the Matching LP. This paper advances the theory of Configuration LP in two directions. Our technical contribution includes a characterization of the joint matching outcome of an offline vertex and all its neighbors. This characterization may be of independent interest, and is aligned with the spirit of Configuration LP. By contrast, previous analyses of Ranking generally focus on only one neighbor. Second, we designed a Stochastic Configuration LP that captures a stochastic benchmark proposed by Goyal and Udwani (2020), who used a Path-based LP. The Stochastic Configuration LP is smaller and simpler than the Path-based LP. Moreover, using the new LP we improved the competitive ratio of Stochastic Balance from 0.596 to 0.611 when the success probabilities are infinitesimal, and to 0.613 when the success probabilities are further equal.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

In reinforcement learning from human feedback, it is common to optimize against a reward model trained to predict human preferences. Because the reward model is an imperfect proxy, optimizing its value too much can hinder ground truth performance, in accordance with Goodhart's law. This effect has been frequently observed, but not carefully measured due to the expense of collecting human preference data. In this work, we use a synthetic setup in which a fixed "gold-standard" reward model plays the role of humans, providing labels used to train a proxy reward model. We study how the gold reward model score changes as we optimize against the proxy reward model using either reinforcement learning or best-of-n sampling. We find that this relationship follows a different functional form depending on the method of optimization, and that in both cases its coefficients scale smoothly with the number of reward model parameters. We also study the effect on this relationship of the size of the reward model dataset, the number of reward model and policy parameters, and the coefficient of the KL penalty added to the reward in the reinforcement learning setup. We explore the implications of these empirical results for theoretical considerations in AI alignment.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

In many neural networks, different values of the parameters may result in the same loss value. Parameter space symmetries are loss-invariant transformations that change the model parameters. Teleportation applies such transformations to accelerate optimization. However, the exact mechanism behind this algorithm's success is not well understood. In this paper, we show that teleportation not only speeds up optimization in the short-term, but gives overall faster time to convergence. Additionally, teleporting to minima with different curvatures improves generalization, which suggests a connection between the curvature of the minimum and generalization ability. Finally, we show that integrating teleportation into a wide range of optimization algorithms and optimization-based meta-learning improves convergence. Our results showcase the versatility of teleportation and demonstrate the potential of incorporating symmetry in optimization.

Auditing large language models for unexpected behaviors is critical to preempt catastrophic deployments, yet remains challenging. In this work, we cast auditing as an optimization problem, where we automatically search for input-output pairs that match a desired target behavior. For example, we might aim to find a non-toxic input that starts with "Barack Obama" that a model maps to a toxic output. This optimization problem is difficult to solve as the set of feasible points is sparse, the space is discrete, and the language models we audit are non-linear and high-dimensional. To combat these challenges, we introduce a discrete optimization algorithm, ARCA, that jointly and efficiently optimizes over inputs and outputs. Our approach automatically uncovers derogatory completions about celebrities (e.g. "Barack Obama is a legalized unborn" -> "child murderer"), produces French inputs that complete to English outputs, and finds inputs that generate a specific name. Our work offers a promising new tool to uncover models' failure-modes before deployment.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

Large language models (LLMs) can translate natural language into optimization code, but silent failures pose a critical risk: code that executes and returns solver-feasible solutions may encode semantically incorrect formulations, creating a feasibility-correctness gap of up to 90 percentage points on compositional problems. We introduce ReLoop, addressing silent failures from two complementary directions. Structured generation decomposes code production into a four-stage reasoning chain (understand, formalize, synthesize, verify) that mirrors expert modeling practice, with explicit variable-type reasoning and self-verification to prevent formulation errors at their source. Behavioral verification detects errors that survive generation by testing whether the formulation responds correctly to solver-based parameter perturbation, without requiring ground truth -- an external semantic signal that bypasses the self-consistency problem inherent in LLM-based code review. The two mechanisms are complementary: structured generation dominates on complex compositional problems, while behavioral verification becomes the largest single contributor on problems with localized formulation defects. Together with execution recovery via IIS-enhanced diagnostics, ReLoop raises correctness from 22.6% to 31.1% and execution from 72.1% to 100.0% on the strongest model, with consistent gains across five models spanning three paradigms (foundation, SFT, RL) and three benchmarks. We additionally release RetailOpt-190, 190 compositional retail optimization scenarios targeting the multi-constraint interactions where LLMs most frequently fail.

The NeuroSAT neural network architecture was recently introduced for predicting properties of propositional formulae. When trained to predict the satisfiability of toy problems, it was shown to find solutions and unsatisfiable cores on its own. However, the authors saw "no obvious path" to using the architecture to improve the state-of-the-art. In this work, we train a simplified NeuroSAT architecture to directly predict the unsatisfiable cores of real problems. We modify several high-performance SAT solvers to periodically replace their variable activity scores with NeuroSAT's prediction of how likely the variables are to appear in an unsatisfiable core. The modified MiniSat solves 10% more problems on SAT-COMP 2018 within the standard 5,000 second timeout than the original does. The modified Glucose solves 11% more problems than the original, while the modified Z3 solves 6% more. The gains are even greater when the training is specialized for a specific distribution of problems; on a benchmark of hard problems from a scheduling domain, the modified Glucose solves 20% more problems than the original does within a one-hour timeout. Our results demonstrate that NeuroSAT can provide effective guidance to high-performance SAT solvers on real problems.

The widespread applicability and increasing omnipresence of LLMs have instigated a need to align LLM responses to user and stakeholder preferences. Many preference optimization approaches have been proposed that fine-tune LLM parameters to achieve good alignment. However, such parameter tuning is known to interfere with model performance on many tasks. Moreover, keeping up with shifting user preferences is tricky in such a situation. Decoding-time alignment with reward model guidance solves these issues at the cost of increased inference time. However, most of such methods fail to strike the right balance between exploration and exploitation of reward -- often due to the conflated formulation of these two aspects - to give well-aligned responses. To remedy this we decouple these two aspects and implement them in an evolutionary fashion: exploration is enforced by decoding from mutated instructions and exploitation is represented as the periodic replacement of poorly-rewarded generations with well-rewarded ones. Empirical evidences indicate that this strategy outperforms many preference optimization and decode-time alignment approaches on two widely accepted alignment benchmarks AlpacaEval 2 and MT-Bench. Our implementation will be available at: https://darwin-alignment.github.io.

Performance optimization is a critical yet challenging aspect of software development, often requiring a deep understanding of system behavior, algorithmic tradeoffs, and careful code modifications. Although recent advances in AI coding agents have accelerated code generation and bug fixing, little is known about how these agents perform on real-world performance optimization tasks. We present the first empirical study comparing agent- and human-authored performance optimization commits, analyzing 324 agent-generated and 83 human-authored PRs from the AIDev dataset across adoption, maintainability, optimization patterns, and validation practices. We find that AI-authored performance PRs are less likely to include explicit performance validation than human-authored PRs (45.7\% vs. 63.6\%, p=0.007). In addition, AI-authored PRs largely use the same optimization patterns as humans. We further discuss limitations and opportunities for advancing agentic code optimization.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

Recent work such as AlphaEvolve has shown that combining LLM-driven optimization with evolutionary search can effectively improve programs, prompts, and algorithms across domains. In this paradigm, previously evaluated solutions are reused to guide the model toward new candidate solutions. Crucially, the effectiveness of this evolution process depends on the search strategy: how prior solutions are selected and varied to generate new candidates. However, most existing methods rely on fixed search strategies with predefined knobs (e.g., explore-exploit ratios) that remain static throughout execution. While effective in some settings, these approaches often fail to adapt across tasks, or even within the same task as the search space changes over time. We introduce EvoX, an adaptive evolution method that optimizes its own evolution process. EvoX jointly evolves candidate solutions and the search strategies used to generate them, continuously updating how prior solutions are selected and varied based on progress. This enables the system to dynamically shift between different search strategies during the optimization process. Across nearly 200 real-world optimization tasks, EvoX outperforms existing AI-driven evolutionary methods including AlphaEvolve, OpenEvolve, GEPA, and ShinkaEvolve on the majority of tasks.

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on closed-ended questions prone to saturation and memorization, or subjective comparisons that lack consistency and rigor. In this work, we introduce HeuriGym, an agentic framework designed for evaluating heuristic algorithms generated by LLMs for combinatorial optimization problems, characterized by clearly defined objectives and expansive solution spaces. HeuriGym empowers LLMs to propose heuristics, receive evaluative feedback via code execution, and iteratively refine their solutions. We evaluate nine state-of-the-art models on nine problems across domains such as computer systems, logistics, and biology, exposing persistent limitations in tool use, planning, and adaptive reasoning. To quantify performance, we propose the Quality-Yield Index (QYI), a metric that captures both solution pass rate and quality. Even top models like GPT-o4-mini-high and Gemini-2.5-Pro attain QYI scores of only 0.6, well below the expert baseline of 1. Our open-source benchmark aims to guide the development of LLMs toward more effective and realistic problem-solving in scientific and engineering domains.

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually-crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under explored. We address this by performing LLM-driven objective discovery to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously-evaluated performance metrics. This process leads to the discovery of previously-unknown and performant preference optimization algorithms. The best performing of these we call Discovered Preference Optimization (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.

In this study, we delve into an emerging optimization challenge involving a black-box objective function that can only be gauged via a ranking oracle-a situation frequently encountered in real-world scenarios, especially when the function is evaluated by human judges. Such challenge is inspired from Reinforcement Learning with Human Feedback (RLHF), an approach recently employed to enhance the performance of Large Language Models (LLMs) using human guidance. We introduce ZO-RankSGD, an innovative zeroth-order optimization algorithm designed to tackle this optimization problem, accompanied by theoretical assurances. Our algorithm utilizes a novel rank-based random estimator to determine the descent direction and guarantees convergence to a stationary point. Moreover, ZO-RankSGD is readily applicable to policy optimization problems in Reinforcement Learning (RL), particularly when only ranking oracles for the episode reward are available. Last but not least, we demonstrate the effectiveness of ZO-RankSGD in a novel application: improving the quality of images generated by a diffusion generative model with human ranking feedback. Throughout experiments, we found that ZO-RankSGD can significantly enhance the detail of generated images with only a few rounds of human feedback. Overall, our work advances the field of zeroth-order optimization by addressing the problem of optimizing functions with only ranking feedback, and offers a new and effective approach for aligning Artificial Intelligence (AI) with human intentions.

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make trade-offs among multiple objectives. This advancement not only has broadened the range of problems that can be tackled but also created numerous opportunities for exploration and advancement. Yet, the effectiveness of RL agents heavily relies on appropriately setting their hyperparameters. In practice, this task often proves to be challenging, leading to unsuccessful deployments of these techniques in various instances. Hence, prior research has explored hyperparameter optimization in RL to address this concern. This paper presents an initial investigation into the challenge of hyperparameter optimization specifically for MORL. We formalize the problem, highlight its distinctive challenges, and propose a systematic methodology to address it. The proposed methodology is applied to a well-known environment using a state-of-the-art MORL algorithm, and preliminary results are reported. Our findings indicate that the proposed methodology can effectively provide hyperparameter configurations that significantly enhance the performance of MORL agents. Furthermore, this study identifies various future research opportunities to further advance the field of hyperparameter optimization for MORL.

Combinatorial optimization finds an optimal solution within a discrete set of variables and constraints. The field has seen tremendous progress both in research and industry. With the success of deep learning in the past decade, a recent trend in combinatorial optimization has been to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning (ML) models. In this paper, we investigate two essential aspects of machine learning algorithms for combinatorial optimization: temporal characteristics and attention. We argue that for the task of variable selection in the branch-and-bound (B&B) algorithm, incorporating the temporal information as well as the bipartite graph attention improves the solver's performance. We support our claims with intuitions and numerical results over several standard datasets used in the literature and competitions. Code is available at: https://developer.huaweicloud.com/develop/aigallery/notebook/detail?id=047c6cf2-8463-40d7-b92f-7b2ca998e935

The Unmanned Aerial Vehicle (UAV) path planning problem is a complex optimization problem in the field of robotics. In this paper, we investigate the possible utilization of this problem in benchmarking global optimization methods. We devise a problem instance generator and pick 56 representative instances, which we compare to established benchmarking suits through Exploratory Landscape Analysis to show their uniqueness. For the computational comparison, we select twelve well-performing global optimization techniques from both subfields of stochastic algorithms (evolutionary computation methods) and deterministic algorithms (Dividing RECTangles, or DIRECT-type methods). The experiments were conducted in settings with varying dimensionality and computational budgets. The results were analyzed through several criteria (number of best-found solutions, mean relative error, Friedman ranks) and utilized established statistical tests. The best-ranking methods for the UAV problems were almost universally the top-performing evolutionary techniques from recent competitions on numerical optimization at the Institute of Electrical and Electronics Engineers Congress on Evolutionary Computation. Lastly, we discussed the variable dimension characteristics of the studied UAV problems that remain still largely under-investigated.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

The goal of this article is to provide an introduction to the desirability function approach to multi-objective optimization (direct and surrogate model-based), and multi-objective hyperparameter tuning. This work is based on the paper by Kuhn (2016). It presents a `Python` implementation of Kuhn's `R` package `desirability`. The `Python` package `spotdesirability` is available as part of the `sequential parameter optimization` framework. After a brief introduction to the desirability function approach is presented, three examples are given that demonstrate how to use the desirability functions for classical optimization, surrogate-model based optimization, and hyperparameter tuning.

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.