Daily Papers

Generative engines (GEs) are reshaping information access by replacing ranked links with citation-grounded answers, yet current Generative Engine Optimization (GEO) methods optimize each instance in isolation, unable to accumulate or transfer effective strategies across tasks and engines. We reframe GEO as a strategy learning problem and propose MAGEO, a multi-agent framework in which coordinated planning, editing, and fidelity-aware evaluation serve as the execution layer, while validated editing patterns are progressively distilled into reusable, engine-specific optimization skills. To enable controlled assessment, we introduce a Twin Branch Evaluation Protocol for causal attribution of content edits and DSV-CF, a dual-axis metric that unifies semantic visibility with attribution accuracy. We further release MSME-GEO-Bench, a multi-scenario, multi-engine benchmark grounded in real-world queries. Experiments on three mainstream engines show that MAGEO substantially outperforms heuristic baselines in both visibility and citation fidelity, with ablations confirming that engine-specific preference modeling and strategy reuse are central to these gains, suggesting a scalable learning-driven paradigm for trustworthy GEO. Code is available at https://github.com/Wu-beining/MAGEO

Code efficiency is a fundamental aspect of software quality, yet how to harness large language models (LLMs) to optimize programs remains challenging. Prior approaches have sought for one-shot rewriting, retrieved exemplars, or prompt-based search, but they do not explicitly distill reusable optimization knowledge, which limits generalization beyond individual instances. In this paper, we present EffiSkill, a framework for code-efficiency optimization that builds a portable optimization toolbox for LLM-based agents. The key idea is to model recurring slow-to-fast transformations as reusable agent skills that capture both concrete transformation mechanisms and higher-level optimization strategies. EffiSkill adopts a two-stage design: Stage I mines Operator and Meta Skills from large-scale slow/fast program pairs to build a skill library; Stage II applies this library to unseen programs through execution-free diagnosis, skill retrieval, plan composition, and candidate generation, without runtime feedback. Results on EffiBench-X show that EffiSkill achieves higher optimization success rates, improving over the strongest baseline by 3.69 to 12.52 percentage points across model and language settings. These findings suggest that mechanism-level skill reuse provides a useful foundation for execution-free code optimization, and that the resulting skill library can serve as a reusable resource for broader agent workflows.

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}.

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

Instruction tuning has been attracting much attention to achieve generalization ability across a wide variety of tasks. Although various types of instructions have been manually created for instruction tuning, it is still unclear what kind of instruction is optimal to obtain cross-task generalization ability. This work presents instruction optimization, which optimizes training instructions with respect to generalization ability. Rather than manually tuning instructions, we introduce learnable instructions and optimize them with gradient descent by leveraging bilevel optimization. Experimental results show that the learned instruction enhances the diversity of instructions and improves the generalization ability compared to using only manually created instructions.

Deploying LLM-powered agents in enterprise scenarios such as cloud technical support demands high-quality, domain-specific skills. However, existing skill creators lack domain grounding, producing skills poorly aligned with real-world task requirements. Moreover, once deployed, there is no systematic mechanism to trace execution failures back to skill deficiencies and drive targeted refinements, leaving skill quality stagnant despite accumulating operational evidence. We introduce SkillForge, a self-evolving framework that closes an end-to-end creation-evaluation-refinement loop. To produce well-aligned initial skills, a Domain-Contextualized Skill Creator grounds skill synthesis in knowledge bases and historical support tickets. To enable continuous self-optimization, a three-stage pipeline -- Failure Analyzer, Skill Diagnostician, and Skill Optimizer -- automatically diagnoses execution failures in batch, pinpoints the underlying skill deficiencies, and rewrites the skill to eliminate them. This cycle runs iteratively, allowing skills to self-improve with every round of deployment feedback. Evaluated on five real-world cloud support scenarios spanning 1,883 tickets and 3,737 tasks, experiments show that: (1) the Domain-Contextualized Skill Creator produces substantially better initial skills than the generic skill creator, as measured by consistency with expert-authored reference responses from historical tickets; and (2) the self-evolution loop progressively improves skill quality from diverse starting points (including expert-authored, domain-created, and generic skills) across successive rounds, demonstrating that automated evolution can surpass manually curated expert knowledge.

Recent work has demonstrated the promise of orchestrating large language models (LLMs) within evolutionary and agentic optimization systems. However, the mechanisms driving these optimization gains remain poorly understood. In this work, we present a large-scale study of LLM-guided evolutionary search, collecting optimization trajectories for 15 LLMs across 8 tasks. Although zero-shot problem-solving ability correlates with final optimization outcomes, it explains only part of the variance: models with similar initial capability often induce dramatically different search trajectories and outcomes. By analyzing these trajectories, we find that strong LLM optimizers behave as local refiners, producing frequent incremental improvements while progressively localizing the search in semantic space. Conversely, weaker optimizers exhibit large semantic drift, with sporadic breakthroughs followed by stagnation. Notably, various measures of solution novelty do not predict final performance; novelty is beneficial only when the search remains sufficiently localized around high-performing regions of the solution space. Our results highlight the importance of trajectory analysis for understanding and improving LLM-based optimization systems and provide actionable insights for their design and training.

Large Language Models (LLMs) have made remarkable progress in mathematical reasoning, but still continue to struggle with high-precision tasks like numerical computation and formal symbolic manipulation. Integrating external tools has emerged as a promising approach to bridge this gap. Despite recent advances, existing methods struggle with three key challenges: constructing tool-integrated reasoning data, performing fine-grained optimization, and enhancing inference. To overcome these limitations, we propose THOR (Tool-Integrated Hierarchical Optimization via RL). First, we introduce TIRGen, a multi-agent actor-critic-based pipeline for constructing high-quality datasets of tool-integrated reasoning paths, aligning with the policy and generalizing well across diverse models. Second, to perform fine-grained hierarchical optimization, we introduce an RL strategy that jointly optimizes for both trajectory-level problem solving and step-level code generation. This is motivated by our key insight that the success of an intermediate tool call is a strong predictor of the final answer's correctness. Finally, THOR incorporates a self-correction mechanism that leverages immediate tool feedback to dynamically revise erroneous reasoning paths during inference. Our approach demonstrates strong generalization across diverse models, performing effectively in both reasoning and non-reasoning models. It further achieves state-of-the-art performance for models of a similar scale on multiple mathematical benchmarks, while also delivering consistent improvements on code benchmarks. Our code will be publicly available at https://github.com/JingMog/THOR.

Modern large-scale ranking systems operate within a sophisticated landscape of competing objectives, operational constraints, and evolving product requirements. Progress in this domain is increasingly bottlenecked by the engineering context constraint: the arduous process of translating ambiguous product intent into reasonable, executable, verifiable hypotheses, rather than by modeling techniques alone. We present GEARS (Generative Engine for Agentic Ranking Systems), a framework that reframes ranking optimization as an autonomous discovery process within a programmable experimentation environment. Rather than treating optimization as static model selection, GEARS leverages Specialized Agent Skills to encapsulate ranking expert knowledge into reusable reasoning capabilities, enabling operators to steer systems via high-level intent vibe personalization. Furthermore, to ensure production reliability, the framework incorporates validation hooks to enforce statistical robustness and filter out brittle policies that overfit short-term signals. Experimental validation across diverse product surfaces demonstrates that GEARS consistently identifies superior, near-Pareto-efficient policies by synergizing algorithmic signals with deep ranking context while maintaining rigorous deployment stability.

Effective code optimization in compilers plays a central role in computer and software engineering. While compilers can be made to automatically search the optimization space without the need for user interventions, this is not a standard practice since the search is slow and cumbersome. Here we present CodeZero, an artificial intelligence agent trained extensively on large data to produce effective optimization strategies instantly for each program in a single trial of the agent. To overcome the huge range of possible test programs, we prepare a large dataset of training programs that emphasize quality, naturalness, and diversity. To tackle the vast space of possible optimizations, we adapt deep reinforcement learning to train the agent in a sample-efficient manner through interacting with a world model of the compiler environment. Evaluation on both benchmark suites and production-level code optimization problems demonstrates our agent's supercompiler performances and zero-shot generalization abilities, outperforming built-in optimization options designed by compiler experts. Our methodology kindles the great potential of artificial intelligence for engineering and paves the way for scaling machine learning techniques in the realm of code optimization.

The advent of large language models (LLMs) has ushered in a new paradigm of search engines that use generative models to gather and summarize information to answer user queries. This emerging technology, which we formalize under the unified framework of generative engines (GEs), can generate accurate and personalized responses, rapidly replacing traditional search engines like Google and Bing. Generative Engines typically satisfy queries by synthesizing information from multiple sources and summarizing them using LLMs. While this shift significantly improves user utility and generative search engine traffic, it poses a huge challenge for the third stakeholder - website and content creators. Given the black-box and fast-moving nature of generative engines, content creators have little to no control over when and how their content is displayed. With generative engines here to stay, we must ensure the creator economy is not disadvantaged. To address this, we introduce Generative Engine Optimization (GEO), the first novel paradigm to aid content creators in improving their content visibility in GE responses through a flexible black-box optimization framework for optimizing and defining visibility metrics. We facilitate systematic evaluation by introducing GEO-bench, a large-scale benchmark of diverse user queries across multiple domains, along with relevant web sources to answer these queries. Through rigorous evaluation, we demonstrate that GEO can boost visibility by up to 40\% in GE responses. Moreover, we show the efficacy of these strategies varies across domains, underscoring the need for domain-specific optimization methods. Our work opens a new frontier in information discovery systems, with profound implications for both developers of GEs and content creators.

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

The increasing complexity of machine learning models and the proliferation of diverse hardware architectures (CPUs, GPUs, accelerators) make achieving optimal performance a significant challenge. Heterogeneity in instruction sets, specialized kernel requirements for different data types and model features (e.g., sparsity, quantization), and architecture-specific optimizations complicate performance tuning. Manual optimization is resource-intensive, while existing automatic approaches often rely on complex hardware-specific heuristics and uninterpretable intermediate representations, hindering performance portability. We introduce PerfLLM, a novel automatic optimization methodology leveraging Large Language Models (LLMs) and Reinforcement Learning (RL). Central to this is PerfDojo, an environment framing optimization as an RL game using a human-readable, mathematically-inspired code representation that guarantees semantic validity through transformations. This allows effective optimization without prior hardware knowledge, facilitating both human analysis and RL agent training. We demonstrate PerfLLM's ability to achieve significant performance gains across diverse CPU (x86, Arm, RISC-V) and GPU architectures.

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

Automatic software system optimization can improve software speed, reduce operating costs, and save energy. Traditional approaches to optimization rely on manual tuning and compiler heuristics, limiting their ability to generalize across diverse codebases and system contexts. Recent methods using Large Language Models (LLMs) offer automation to address these limitations, but often fail to scale to the complexity of real-world software systems and applications. We present SysLLMatic, a system that integrates LLMs with profiling-guided feedback and system performance insights to automatically optimize software code. We evaluate it on three benchmark suites: HumanEval_CPP (competitive programming in C++), SciMark2 (scientific kernels in Java), and DaCapoBench (large-scale software systems in Java). Results show that SysLLMatic can improve system performance, including latency, throughput, energy efficiency, memory usage, and CPU utilization. It consistently outperforms state-of-the-art LLM baselines on microbenchmarks. On large-scale application codes, it surpasses traditional compiler optimizations, achieving average relative improvements of 1.85x in latency and 2.24x in throughput. Our findings demonstrate that LLMs, guided by principled systems thinking and appropriate performance diagnostics, can serve as viable software system optimizers. We further identify limitations of our approach and the challenges involved in handling complex applications. This work provides a foundation for generating optimized code across various languages, benchmarks, and program sizes in a principled manner.

Improving diesel engine efficiency, reducing emissions, and enabling robust health monitoring have been critical research topics in engine modelling. While recent advancements in the use of neural networks for system monitoring have shown promising results, such methods often focus on component-level analysis, lack generalizability, and physical interpretability. In this study, we propose a novel hybrid framework that combines physics-informed neural networks (PINNs) with deep operator networks (DeepONet) to enable accurate and computationally efficient parameter identification in mean-value diesel engine models. Our method leverages physics-based system knowledge in combination with data-driven training of neural networks to enhance model applicability. Incorporating offline-trained DeepONets to predict actuator dynamics significantly lowers the online computation cost when compared to the existing PINN framework. To address the re-training burden typical of PINNs under varying input conditions, we propose two transfer learning (TL) strategies: (i) a multi-stage TL scheme offering better runtime efficiency than full online training of the PINN model and (ii) a few-shot TL scheme that freezes a shared multi-head network body and computes physics-based derivatives required for model training outside the training loop. The second strategy offers a computationally inexpensive and physics-based approach for predicting engine dynamics and parameter identification, offering computational efficiency over the existing PINN framework. Compared to existing health monitoring methods, our framework combines the interpretability of physics-based models with the flexibility of deep learning, offering substantial gains in generalization, accuracy, and deployment efficiency for diesel engine diagnostics.

In this paper, we explore the potential of using a large language model (LLM) to understand the driving environment in a human-like manner and analyze its ability to reason, interpret, and memorize when facing complex scenarios. We argue that traditional optimization-based and modular autonomous driving (AD) systems face inherent performance limitations when dealing with long-tail corner cases. To address this problem, we propose that an ideal AD system should drive like a human, accumulating experience through continuous driving and using common sense to solve problems. To achieve this goal, we identify three key abilities necessary for an AD system: reasoning, interpretation, and memorization. We demonstrate the feasibility of employing an LLM in driving scenarios by building a closed-loop system to showcase its comprehension and environment-interaction abilities. Our extensive experiments show that the LLM exhibits the impressive ability to reason and solve long-tailed cases, providing valuable insights for the development of human-like autonomous driving. The related code are available at https://github.com/PJLab-ADG/DriveLikeAHuman .

Though CLIP-based prompt tuning significantly enhances pre-trained Vision-Language Models, existing research focuses on reconstructing the model architecture, e.g., additional loss calculation and meta-networks. These approaches generally lead to increased complexity and extended training cost. To maintain the efficiency of the tuning process, we propose plug-and-play Model-Agnostic Optimization (MAO) for prompt tuning. Without altering any components of the prompt tuning backbone, we introduce a Data-Driven Enhancement framework to optimize the distribution of the initial data, and incorporate an Alterable Regularization module to boost the task-specific feature processing pipeline, thereby improving overall performance while maintaining low computational cost. Extensive experiments on MAO demonstrate its outstanding performance and efficiency. The code of MAO is available at: https://github.com/JREion/M.A.O .

Learned optimization has emerged as a promising alternative to hand-crafted optimizers, with the potential to discover stronger learned update rules that enable faster, hyperparameter-free training of neural networks. A critical element for practically useful learned optimizers, that can be used off-the-shelf after meta-training, is strong meta-generalization: the ability to apply the optimizers to new tasks. Recent state-of-the-art work in learned optimizers, VeLO (Metz et al., 2022), requires a large number of highly diverse meta-training tasks along with massive computational resources, 4000 TPU months, to achieve meta-generalization. This makes further improvements to such learned optimizers impractical. In this work, we identify several key elements in learned optimizer architectures and meta-training procedures that can lead to strong meta-generalization. We also propose evaluation metrics to reliably assess quantitative performance of an optimizer at scale on a set of evaluation tasks. Our proposed approach, Celo, makes a significant leap in improving the meta-generalization performance of learned optimizers and also outperforms tuned state-of-the-art optimizers on a diverse set of out-of-distribution tasks, despite being meta-trained for just 24 GPU hours.

Large Language Models (LLMs) have transformed software engineering, but their application to physical engineering domains remains underexplored. This paper evaluates LLMs' capabilities in high-powered rocketry design through RocketBench, a benchmark connecting LLMs to high-fidelity rocket simulations. We test models on two increasingly complex design tasks: target altitude optimization and precision landing challenges. Our findings reveal that while state-of-the-art LLMs demonstrate strong baseline engineering knowledge, they struggle to iterate on their designs when given simulation results and ultimately plateau below human performance levels. However, when enhanced with reinforcement learning (RL), we show that a 7B parameter model outperforms both SoTA foundation models and human experts. This research demonstrates that RL-trained LLMs can serve as effective tools for complex engineering optimization, potentially transforming engineering domains beyond software development.

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.

Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.

Current LLM agent benchmarks, which predominantly focus on binary pass/fail tasks such as code generation or search-based question answering, often neglect the value of real-world engineering that is often captured through the iterative optimization of feasible designs. To this end, we introduce Frontier-Eng, a human-verified benchmark for generative optimization -- an iterative propose-execute-evaluate loop in which an agent generates candidate artifacts, receives executable verifier feedback, and revises them under a fixed interaction budget -- spanning 47 tasks across five broad engineering categories. Unlike previous suites, Frontier-Eng tasks are grounded in industrial-grade simulators and verifiers that provide continuous reward signals and enforce hard feasibility constraints under constrained budgets. We evaluate eight frontier language models using representative search frameworks, finding that while Claude 4.6 Opus achieves the most robust performance, the benchmark remains challenging for all models. Our analysis suggests a dual power-law decay in improvement frequency (sim 1/iteration) and magnitude (sim 1/improvement count). We further show that although width improves parallelism and diversity, depth remains crucial for hard-won improvements under a fixed budget. Frontier-Eng establishes a new standard for assessing the capacity of AI agents to integrate domain knowledge with executable feedback to solve complex, open-ended engineering problems.

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.

Existing tool-augmented large language models (LLMs) encounter significant challenges when processing complex queries. Current frameworks such as ReAct are prone to local optimization traps due to their reliance on incremental decision-making processes. To address these limitations, we propose a novel Planner-centric Plan-Execute paradigm that fundamentally resolves local optimization bottlenecks through architectural innovation. Central to our approach is a novel Planner model that performs global Directed Acyclic Graph (DAG) planning for complex queries, enabling optimized execution beyond conventional tool coordination. We also introduce ComplexTool-Plan, a large-scale benchmark dataset featuring complex queries that demand sophisticated multi-tool composition and coordination capabilities. Additionally, we develop a two-stage training methodology that integrates Supervised Fine-Tuning (SFT) with Group Relative Policy Optimization (GRPO), systematically enhancing the Planner's tool selection accuracy and global planning awareness through structured DAG-based planning. When integrated with a capable executor, our framework achieves state-of-the-art performance on the StableToolBench benchmark for complex user queries, demonstrating superior end-to-end execution capabilities and robust handling of intricate multi-tool workflows.

In the past decade, autonomous driving has experienced rapid development in both academia and industry. However, its limited interpretability remains a significant unsolved problem, severely hindering autonomous vehicle commercialization and further development. Previous approaches utilizing small language models have failed to address this issue due to their lack of flexibility, generalization ability, and robustness. Recently, multimodal large language models (LLMs) have gained considerable attention from the research community for their capability to process and reason non-text data (e.g., images and videos) by text. In this paper, we present DriveGPT4, an interpretable end-to-end autonomous driving system utilizing LLMs. DriveGPT4 is capable of interpreting vehicle actions and providing corresponding reasoning, as well as answering diverse questions posed by human users for enhanced interaction. Additionally, DriveGPT4 predicts vehicle low-level control signals in an end-to-end fashion. These capabilities stem from a customized visual instruction tuning dataset specifically designed for autonomous driving. To the best of our knowledge, DriveGPT4 is the first work focusing on interpretable end-to-end autonomous driving. When evaluated on multiple tasks alongside conventional methods and video understanding LLMs, DriveGPT4 demonstrates superior qualitative and quantitative performance. Additionally, DriveGPT4 can be generalized in a zero-shot fashion to accommodate more unseen scenarios. The project page is available at https://tonyxuqaq.github.io/projects/DriveGPT4/ .

Large Language Models (LLMs) have shown strong reasoning capabilities, with models like OpenAI's O-series and DeepSeek R1 excelling at tasks such as mathematics, coding, logic, and puzzles through Reinforcement Learning with Verifiable Rewards (RLVR). However, their ability to solve more complex optimization problems - particularly NP-hard tasks - remains underexplored. To bridge this gap, we propose NP-ENGINE, the first comprehensive framework for training and evaluating LLMs on NP-hard problems. NP-ENGINE covers 10 tasks across five domains, each equipped with (i) a controllable instance generator, (ii) a rule-based verifier, and (iii) a heuristic solver that provides approximate optimal solutions as ground truth. This generator-verifier-heuristic pipeline enables scalable and verifiable RLVR training under hierarchical difficulties. We also introduce NP-BENCH, a benchmark derived from NP-ENGINE-DATA, specifically designed to evaluate LLMs' ability to tackle NP-hard level reasoning problems, focusing not only on feasibility but also on solution quality. Additionally, we present QWEN2.5-7B-NP, a model trained via zero-RLVR with curriculum learning on Qwen2.5-7B-Instruct, which significantly outperforms GPT-4o on NP-BENCH and achieves SOTA performance with the same model size. Beyond in-domain tasks, we demonstrate that RLVR training on NP-ENGINE-DATA enables strong out-of-domain (OOD) generalization to reasoning tasks (logic, puzzles, math, and knowledge), as well as non-reasoning tasks such as instruction following. We also observe a scaling trend: increasing task diversity improves OOD generalization. These findings suggest that task-rich RLVR training is a promising direction for advancing LLM's reasoning ability, revealing new insights into the scaling laws of RLVR.

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.

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.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

The potential of large language models (LLMs) to simultaneously perform a wide range of natural language processing (NLP) tasks has been the subject of extensive research. Although instruction tuning has proven to be a data-efficient method for transforming LLMs into such generalist models, their performance still lags behind specialist models trained exclusively for specific tasks. In this paper, we investigate whether incorporating broad-coverage generalist instruction tuning can contribute to building a specialist model. We hypothesize that its efficacy depends on task specificity and skill requirements. Our experiments assess four target tasks with distinct coverage levels, revealing that integrating generalist instruction tuning consistently enhances model performance when the task coverage is broad. The effect is particularly pronounced when the amount of task-specific training data is limited. Further investigation into three target tasks focusing on different capabilities demonstrates that generalist instruction tuning improves understanding and reasoning abilities. However, for tasks requiring factual knowledge, generalist data containing hallucinatory information may negatively affect the model's performance. Overall, our work provides a systematic guide for developing specialist models with general instruction tuning. Our code and other related resources can be found at https://github.com/DavidFanzz/Generalist_or_Specialist.

Code optimization is a daunting task that requires a significant level of expertise from experienced programmers. This level of expertise is not sufficient when compared to the rapid development of new hardware architectures. Towards advancing the whole code optimization process, recent approaches rely on machine learning and artificial intelligence techniques. This paper introduces a new framework to decrease the complexity of code optimization. The proposed framework builds on large language models (LLMs) and reinforcement learning (RL) and enables LLMs to receive feedback from their environment (i.e., unit tests) during the fine-tuning process. We compare our framework with existing state-of-the-art models and show that it is more efficient with respect to speed and computational usage, as a result of the decrement in training steps and its applicability to models with fewer parameters. Additionally, our framework reduces the possibility of logical and syntactical errors. Toward evaluating our approach, we run several experiments on the PIE dataset using a CodeT5 language model and RRHF, a new reinforcement learning algorithm. We adopt a variety of evaluation metrics with regards to optimization quality, and speedup. The evaluation results demonstrate that the proposed framework has similar results in comparison with existing models using shorter training times and smaller pre-trained models. In particular, we accomplish an increase of 5.6% and 2.2 over the baseline models concerning the %OP T and SP metrics.

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

Optimization plays a vital role in scientific research and practical applications. However, formulating a concrete optimization problem described in natural language into a mathematical form and selecting a suitable solver to solve the problem requires substantial domain expertise. We introduce OptimAI, a framework for solving Optimization problems described in natural language by leveraging LLM-powered AI agents, and achieve superior performance over current state-of-the-art methods. Our framework is built upon the following key roles: (1) a formulator that translates natural language problem descriptions into precise mathematical formulations; (2) a planner that constructs a high-level solution strategy prior to execution; and (3) a coder and a code critic capable of interacting with the environment and reflecting on outcomes to refine future actions. Ablation studies confirm that all roles are essential; removing the planner or code critic results in 5.8times and 3.1times drops in productivity, respectively. Furthermore, we introduce UCB-based debug scheduling to dynamically switch between alternative plans, yielding an additional 3.3times productivity gain. Our design emphasizes multi-agent collaboration, and our experiments confirm that combining diverse models leads to performance gains. Our approach attains 88.1% accuracy on the NLP4LP dataset and 82.3% on the Optibench dataset, reducing error rates by 58% and 52%, respectively, over prior best results.

Important tasks such as reasoning and planning are fundamentally algorithmic, meaning that solving them robustly requires acquiring true reasoning or planning algorithms, rather than shortcuts. Large Language Models lack true algorithmic ability primarily because of the limitations of neural network optimization algorithms, their optimization data and optimization objective, but also due to architectural inexpressivity. To solve this, our paper proposes augmenting LLMs with a library of fundamental operations and sophisticated differentiable programs, so that common algorithms do not need to be learned from scratch. We add memory, registers, basic operations, and adaptive recurrence to a transformer architecture built on LLaMA3. Then, we define a method for directly compiling algorithms into a differentiable starting library, which is used natively and propagates gradients for optimization. In this preliminary study, we explore the feasability of augmenting LLaMA3 with a differentiable computer, for instance by fine-tuning small transformers on simple algorithmic tasks with variable computational depth.

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design skills. In this paper, we propose a novel approach called Algorithm Evolution using Large Language Model (AEL). It utilizes a large language model (LLM) to automatically generate optimization algorithms via an evolutionary framework. AEL does algorithm-level evolution without model training. Human effort and requirements for domain knowledge can be significantly reduced. We take constructive methods for the salesman traveling problem as a test example, we show that the constructive algorithm obtained by AEL outperforms simple hand-crafted and LLM-generated heuristics. Compared with other domain deep learning model-based algorithms, these methods exhibit excellent scalability across different problem sizes. AEL is also very different from previous attempts that utilize LLMs as search operators in algorithms.

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.

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.

Large Language Models (LLMs) generate functionally correct solutions but often fall short in code efficiency, a critical bottleneck for real-world deployment. In this paper, we introduce a novel test-time iterative optimization framework to address this, employing a closed-loop system where LLMs iteratively refine code based on empirical performance feedback from an execution sandbox. We explore three training strategies: Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), and Group Relative Policy Optimization~(GRPO). Experiments on our Venus dataset and the APPS benchmark show that SFT and DPO rapidly saturate in efficiency gains. In contrast, GRPO, using reinforcement learning (RL) with execution feedback, continuously optimizes code performance, significantly boosting both pass@1 (from 47% to 62%) and the likelihood of outperforming human submissions in efficiency (from 31% to 45%). Our work demonstrates effective test-time code efficiency improvement and critically reveals the power of RL in teaching LLMs to truly self-improve code efficiency.

Instruction tuning for large language models (LLMs) has gained attention from researchers due to its ability to unlock the potential of LLMs in following instructions. While instruction tuning offers advantages for facilitating the adaptation of large language models (LLMs) to downstream tasks as a fine-tuning approach, training models with tens of millions or even billions of parameters on large amounts of data results in unaffordable computational costs. To address this, we focus on reducing the data used in LLM instruction tuning to decrease training costs and improve data efficiency, dubbed as Low Training Data Instruction Tuning (LTD Instruction Tuning). Specifically, this paper conducts a preliminary exploration into reducing the data used in LLM training and identifies several observations regarding task specialization for LLM training, such as the optimization of performance for a specific task, the number of instruction types required for instruction tuning, and the amount of data required for task-specific models. The results suggest that task-specific models can be trained using less than 0.5% of the original dataset, with a 2% improvement in performance over those trained on full task-related data.

This paper provides a self-contained, from-scratch, exposition of key algorithms for instruction tuning of models: SFT, Rejection Sampling, REINFORCE, Trust Region Policy Optimization (TRPO), Proximal Policy Optimization (PPO), Group Relative Policy Optimization (GRPO), and Direct Preference Optimization (DPO). Explanations of these algorithms often assume prior knowledge, lack critical details, and/or are overly generalized and complex. Here, each method is discussed and developed step by step using simplified and explicit notation focused on LLMs, aiming to eliminate ambiguity and provide a clear and intuitive understanding of the concepts. By minimizing detours into the broader RL literature and connecting concepts to LLMs, we eliminate superfluous abstractions and reduce cognitive overhead. Following this exposition, we provide a literature review of new techniques and approaches beyond those detailed. Finally, new ideas for research and exploration in the form of GRAPE (Generalized Relative Advantage Policy Evolution) are presented.

Agent skills, which are reusable, domain-specific knowledge artifacts, have become a popular mechanism for extending LLM-based agents, yet formally benchmarking skill usage performance remains scarce. Existing skill benchmarking efforts focus on overly idealized conditions, where LLMs are directly provided with hand-crafted, narrowly-tailored task-specific skills for each task, whereas in many realistic settings, the LLM agent may have to search for and select relevant skills on its own, and even the closest matching skills may not be well-tailored for the task. In this paper, we conduct the first comprehensive study of skill utility under progressively challenging realistic settings, where agents must retrieve skills from a large collection of 34k real-world skills and may not have access to any hand-curated skills. Our findings reveal that the benefits of skills are fragile: performance gains degrade consistently as settings become more realistic, with pass rates approaching no-skill baselines in the most challenging scenarios. To narrow this gap, we study skill refinement strategies, including query-specific and query-agnostic approaches, and we show that query-specific refinement substantially recovers lost performance when the initial skills are of reasonable relevance and quality. We further demonstrate the generality of retrieval and refinement on Terminal-Bench 2.0, where they improve the pass rate of Claude Opus 4.6 from 57.7% to 65.5%. Our results, consistent across multiple models, highlight both the promise and the current limitations of skills for LLM-based agents. Our code is available at https://github.com/UCSB-NLP-Chang/Skill-Usage.

Recent work has shown that fine-tuning large pre-trained language models on a collection of tasks described via instructions, a.k.a. instruction-tuning, improves their zero and few-shot generalization to unseen tasks. However, there is a limited understanding of the performance trade-offs of different decisions made during the instruction-tuning process. These decisions include the scale and diversity of the instruction-tuning benchmark, different task sampling strategies, fine-tuning with and without demonstrations, training using specialized datasets for reasoning and dialogue, and finally, the fine-tuning objectives themselves. In this paper, we characterize the effect of instruction-tuning decisions on downstream task performance when scaling both model and benchmark sizes. To this end, we create OPT-IML Bench: a large benchmark for Instruction Meta-Learning (IML) of 2000 NLP tasks consolidated into task categories from 8 existing benchmarks, and prepare an evaluation framework to measure three types of model generalizations: to tasks from fully held-out categories, to held-out tasks from seen categories, and to held-out instances from seen tasks. Through the lens of this framework, we first present insights about instruction-tuning decisions as applied to OPT-30B and further exploit these insights to train OPT-IML 30B and 175B, which are instruction-tuned versions of OPT. OPT-IML demonstrates all three generalization abilities at both scales on four different evaluation benchmarks with diverse tasks and input formats -- PromptSource, FLAN, Super-NaturalInstructions, and UnifiedSKG. Not only does it significantly outperform OPT on all benchmarks but is also highly competitive with existing models fine-tuned on each specific benchmark. We release OPT-IML at both scales, together with the OPT-IML Bench evaluation framework.

We introduce Skills-Coach, a novel automated framework designed to significantly enhance the self-evolution of skills within Large Language Model (LLM)-based agents. Addressing the current fragmentation of the skill ecosystem, Skills-Coach explores the boundaries of skill capabilities, thereby facilitating the comprehensive competency coverage essential for intelligent applications. The framework comprises four core modules: a Diverse Task Generation Module that systematically creates a comprehensive test suite for various skills; a Lightweight Optimization Module dedicated to optimizing skill prompts and their corresponding code; a Comparative Execution Module facilitating the execution and evaluation of both original and optimized skills; and a Traceable Evaluation Module, which rigorously evaluates performance against specified criteria. Skills-Coach offers flexible execution options through its virtual and real modes. To validate its efficacy, we introduce Skill-X, a comprehensive benchmark dataset consisting of 48 diverse skills. Experimental results demonstrate that Skills-Coach achieves significant performance improvements in skill capability across a wide range of categories, highlighting its potential to advance the development of more robust and adaptable LLM-based agents.

Large Language Models (LLMs) have shown impressive capabilities in many scenarios, but their performance depends, in part, on the choice of prompt. Past research has focused on optimizing prompts specific to a task. However, much less attention has been given to optimizing the general instructions included in a prompt, known as a system prompt. To address this gap, we propose SPRIG, an edit-based genetic algorithm that iteratively constructs prompts from prespecified components to maximize the model's performance in general scenarios. We evaluate the performance of system prompts on a collection of 47 different types of tasks to ensure generalizability. Our study finds that a single optimized system prompt performs on par with task prompts optimized for each individual task. Moreover, combining system and task-level optimizations leads to further improvement, which showcases their complementary nature. Experiments also reveal that the optimized system prompts generalize effectively across model families, parameter sizes, and languages. This study provides insights into the role of system-level instructions in maximizing LLM potential.

Large language models (LLMs) have demonstrated strong code generation capabilities, yet the runtime performance of generated code is not guaranteed, and there have been few attempts to train LLMs using runtime performance as a reward in the HPC domain. We propose an online reinforcement learning approach that executes LLM-generated code on a supercomputer and directly feeds back the measured runtime performance (GFLOPS) as a reward. We further introduce a Staged Quality-Diversity (SQD) algorithm that progressively varies the permitted optimization techniques on a per-problem basis, enabling the model to learn code optimization from diverse perspectives. We build a distributed system connecting a GPU training cluster with a CPU benchmarking cluster, and train Qwen2.5 Coder 14B on a double-precision matrix multiplication task using Group Relative Policy Optimization (GRPO). Through two experiments, we show that reinforcement learning combining runtime performance feedback with staged optimization can improve the HPC code generation capability of LLMs.

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.

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.

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.

Training large language models to acquire specific skills remains a challenging endeavor. Conventional training approaches often struggle with data distribution imbalances and inadequacies in objective functions that do not align well with task-specific performance. To address these challenges, we introduce CycleQD, a novel approach that leverages the Quality Diversity framework through a cyclic adaptation of the algorithm, along with a model merging based crossover and an SVD-based mutation. In CycleQD, each task's performance metric is alternated as the quality measure while the others serve as the behavioral characteristics. This cyclic focus on individual tasks allows for concentrated effort on one task at a time, eliminating the need for data ratio tuning and simplifying the design of the objective function. Empirical results from AgentBench indicate that applying CycleQD to LLAMA3-8B-INSTRUCT based models not only enables them to surpass traditional fine-tuning methods in coding, operating systems, and database tasks, but also achieves performance on par with GPT-3.5-TURBO, which potentially contains much more parameters, across these domains. Crucially, this enhanced performance is achieved while retaining robust language capabilities, as evidenced by its performance on widely adopted language benchmark tasks. We highlight the key design choices in CycleQD, detailing how these contribute to its effectiveness. Furthermore, our method is general and can be applied to image segmentation models, highlighting its applicability across different domains.

Large Language Models (LLMs) exhibit strong generalization capabilities to novel tasks when prompted with language instructions and in-context demos. Since this ability sensitively depends on the quality of prompts, various methods have been explored to automate the instruction design. While these methods demonstrated promising results, they also restricted the searched prompt to one instruction. Such simplification significantly limits their capacity, as a single demo-free instruction might not be able to cover the entire complex problem space of the targeted task. To alleviate this issue, we adopt the Mixture-of-Expert paradigm and divide the problem space into a set of sub-regions; Each sub-region is governed by a specialized expert, equipped with both an instruction and a set of demos. A two-phase process is developed to construct the specialized expert for each region: (1) demo assignment: Inspired by the theoretical connection between in-context learning and kernel regression, we group demos into experts based on their semantic similarity; (2) instruction assignment: A region-based joint search of an instruction per expert complements the demos assigned to it, yielding a synergistic effect. The resulting method, codenamed Mixture-of-Prompts (MoP), achieves an average win rate of 81% against prior arts across several major benchmarks.

Agent skills, structured packages of procedural knowledge and executable resources that agents dynamically load at inference time, have become a reliable mechanism for augmenting LLM agents. Yet inference-time skill augmentation is fundamentally limited: retrieval noise introduces irrelevant guidance, injected skill content imposes substantial token overhead, and the model never truly acquires the knowledge it merely follows. We ask whether skills can instead be internalized into model parameters, enabling zero-shot autonomous behavior without any runtime skill retrieval. We introduce SKILL0, an in-context reinforcement learning framework designed for skill internalization. SKILL0 introduces a training-time curriculum that begins with full skill context and progressively withdraws it. Skills are grouped offline by category and rendered with interaction history into a compact visual context, teaching he model tool invocation and multi-turn task completion. A Dynamic Curriculum then evaluates each skill file's on-policy helpfulness, retaining only those from which the current policy still benefits within a linearly decaying budget, until the agent operates in a fully zero-shot setting. Extensive agentic experiments demonstrate that SKILL0 achieves substantial improvements over the standard RL baseline (+9.7\% for ALFWorld and +6.6\% for Search-QA), while maintaining a highly efficient context of fewer than 0.5k tokens per step. Our code is available at https://github.com/ZJU-REAL/SkillZero.

Enterprise LLM deployment faces a critical scalability challenge: organizations must optimize models systematically to scale AI initiatives within constrained compute budgets, yet the specialized expertise required for manual optimization remains a niche and scarce skillset. This challenge is particularly evident in managing GPU utilization across heterogeneous infrastructure while enabling teams with diverse workloads and limited LLM optimization experience to deploy models efficiently. We present OptiKIT, a distributed LLM optimization framework that democratizes model compression and tuning by automating complex optimization workflows for non-expert teams. OptiKIT provides dynamic resource allocation, staged pipeline execution with automatic cleanup, and seamless enterprise integration. In production, it delivers more than 2x GPU throughput improvement while empowering application teams to achieve consistent performance improvements without deep LLM optimization expertise. We share both the platform design and key engineering insights into resource allocation algorithms, pipeline orchestration, and integration patterns that enable large-scale, production-grade democratization of model optimization. Finally, we open-source the system to enable external contributions and broader reproducibility.

Instruction tuning is a burgeoning method to elicit the general intelligence of Large Language Models (LLMs). However, the creation of instruction data is still largely heuristic, leading to significant variation in quality and distribution across existing datasets. Experimental conclusions drawn from these datasets are also inconsistent, with some studies emphasizing the importance of scaling instruction numbers, while others argue that a limited number of samples suffice. To better understand data construction guidelines, we deepen our focus from the overall model performance to the growth of each underlying ability, such as creative writing, code generation, and logical reasoning. We systematically investigate the effects of data volume, parameter size, and data construction methods on the development of various abilities, using hundreds of model checkpoints (7b to 33b) fully instruction-tuned on a new collection of over 40k human-curated instruction data. This proposed dataset is stringently quality-controlled and categorized into ten distinct LLM abilities. Our study reveals three primary findings: (i) Despite data volume and parameter scale directly impacting models' overall performance, some abilities are more responsive to their increases and can be effectively trained using limited data, while some are highly resistant to these changes. (ii) Human-curated data strongly outperforms synthetic data from GPT-4 in efficiency and can constantly enhance model performance with volume increases, but is unachievable with synthetic data. (iii) Instruction data brings powerful cross-ability generalization, with evaluation results on out-of-domain data mirroring the first two observations. Furthermore, we demonstrate how these findings can guide more efficient data constructions, leading to practical performance improvements on public benchmarks.

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the ALE Agent for competitive programming on AtCoder Heuristic Contest, achieving a 13.6% improvement in acceptance rate; the Mini-SWE Agent for code optimization on SWE-Perf, with a statistically significant 10.1\% performance gain; and the CrewAI Agent for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant 36.9% reduction in the number of tokens required for evaluation. We also evaluate the MathTales-Teacher Agent powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a 22\% accuracy improvement and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.

Tackling complex optimization problems often relies on expert-designed heuristics, typically crafted through extensive trial and error. Recent advances demonstrate that large language models (LLMs), when integrated into well-designed evolutionary search frameworks, can autonomously discover high-performing heuristics at a fraction of the traditional cost. However, existing approaches predominantly rely on verbal guidance, i.e., manipulating the prompt generation process, to steer the evolution of heuristics, without adapting the underlying LLM. We propose a hybrid framework that combines verbal and numerical guidance, the latter achieved by fine-tuning the LLM via reinforcement learning based on the quality of generated heuristics. This joint optimization allows the LLM to co-evolve with the search process. Our method outperforms state-of-the-art (SOTA) baselines across various optimization tasks, running locally on a single 24GB GPU using a 7B model with INT4 quantization. It surpasses methods that rely solely on verbal guidance, even when those use significantly more powerful API-based models.

Highly effective, task-specific prompts are often heavily engineered by experts to integrate detailed instructions and domain insights based on a deep understanding of both instincts of large language models (LLMs) and the intricacies of the target task. However, automating the generation of such expert-level prompts remains elusive. Existing prompt optimization methods tend to overlook the depth of domain knowledge and struggle to efficiently explore the vast space of expert-level prompts. Addressing this, we present PromptAgent, an optimization method that autonomously crafts prompts equivalent in quality to those handcrafted by experts. At its core, PromptAgent views prompt optimization as a strategic planning problem and employs a principled planning algorithm, rooted in Monte Carlo tree search, to strategically navigate the expert-level prompt space. Inspired by human-like trial-and-error exploration, PromptAgent induces precise expert-level insights and in-depth instructions by reflecting on model errors and generating constructive error feedback. Such a novel framework allows the agent to iteratively examine intermediate prompts (states), refine them based on error feedbacks (actions), simulate future rewards, and search for high-reward paths leading to expert prompts. We apply PromptAgent to 12 tasks spanning three practical domains: BIG-Bench Hard (BBH), as well as domain-specific and general NLP tasks, showing it significantly outperforms strong Chain-of-Thought and recent prompt optimization baselines. Extensive analyses emphasize its capability to craft expert-level, detailed, and domain-insightful prompts with great efficiency and generalizability.

Developing high-performance software is a complex task that requires specialized expertise. We introduce GSO, a benchmark for evaluating language models' capabilities in developing high-performance software. We develop an automated pipeline that generates and executes performance tests to analyze repository commit histories to identify 102 challenging optimization tasks across 10 codebases, spanning diverse domains and programming languages. An agent is provided with a codebase and performance test as a precise specification, and tasked to improve the runtime efficiency, which is measured against the expert developer optimization. Our quantitative evaluation reveals that leading SWE-Agents struggle significantly, achieving less than 5% success rate, with limited improvements even with inference-time scaling. Our qualitative analysis identifies key failure modes, including difficulties with low-level languages, practicing lazy optimization strategies, and challenges in accurately localizing bottlenecks. We release the code and artifacts of our benchmark along with agent trajectories to enable future research.

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.

Coding agents are increasingly used as general-purpose problem solvers, but their flexibility does not by itself confer the domain expertise needed for specialized tasks. Recent work addresses this through agent skills: reusable workflows, and code, that augment agents with domain-specific capabilities. Most skills today are hand-crafted, and existing evolutionary approaches optimize low-level artifacts (e.g. prompts \& code) that are tightly coupled to specific models and tasks. We introduce EvoSkill, a self-evolving framework that automatically discovers and refines agent skills through iterative failure analysis. EvoSkill analyzes execution failures, proposes new skills or edits to existing ones, and materializes them into structured, reusable skill folders. A Pareto frontier of agent programs governs selection, retaining only skills that improve held-out validation performance while the underlying model remains frozen. We evaluate EvoSkill on two benchmarks: OfficeQA, a grounded reasoning benchmark over U.S.\ Treasury data, where it improves exact-match accuracy by 7.3\% (60.6\% to 67.9\%); and SealQA, a search-augmented QA benchmark with noisy retrieval, where it yields a 12.1\% gain (26.6\% to 38.7\%). We also investigate the zero-shot transfer capabilties of skills evolved on one task to the other; in particular: skills evolved from SealQA transfers zero-shot to BrowseComp, improving accuracy by 5.3\% without modification demonstrating that skill-level optimization produces transferable capabilities beyond the training task.

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

We explore the novel application of Large Language Models to code optimization. We present a 7B-parameter transformer model trained from scratch to optimize LLVM assembly for code size. The model takes as input unoptimized assembly and outputs a list of compiler options to best optimize the program. Crucially, during training, we ask the model to predict the instruction counts before and after optimization, and the optimized code itself. These auxiliary learning tasks significantly improve the optimization performance of the model and improve the model's depth of understanding. We evaluate on a large suite of test programs. Our approach achieves a 3.0% improvement in reducing instruction counts over the compiler, outperforming two state-of-the-art baselines that require thousands of compilations. Furthermore, the model shows surprisingly strong code reasoning abilities, generating compilable code 91% of the time and perfectly emulating the output of the compiler 70% of the time.

Current LLM coding agents are predominantly trained on composite benchmarks (e.g., bug fixing), which often leads to task-specific overfitting and limited generalization. To address this, we propose a novel scaling paradigm that shifts the focus from task-level optimization to atomic skill mastery. We first formalize five fundamental atomic skills, code localization, code editing, unit-test generation, issue reproduction, and code review, that serve as the basis vectors for complex software engineering tasks. Compared with composite coding tasks, these atomic skills are more generalizable and composable. Then, we scale coding agents by performing joint RL over atomic skills. In this manner, atomic skills are consistently improved without negative interference or trade-offs between them. Notably, we observe that improvements in these atomic skills generalize well to other unseen composite coding tasks, such as bug-fixing, code refactoring, machine learning engineering, and code security. The observation motivates a new scaling paradigm for coding agents by training with atomic skills. Extensive experiments demonstrate the effectiveness of our proposed paradigm. Notably, our joint RL improves average performance by 18.7% on 5 atomic skills and 5 composite tasks.

Recent multimodal generation models have achieved remarkable progress on general-purpose generation tasks, yet continue to struggle with complex instructions and specialized downstream tasks. Inspired by the success of advanced agent frameworks such as Claude Code, we propose GEMS (Agent-Native Multimodal GEneration with Memory and Skills), a framework that pushes beyond the inherent limitations of foundational models on both general and downstream tasks. GEMS is built upon three core components. Agent Loop introduces a structured multi-agent framework that iteratively improves generation quality through closed-loop optimization. Agent Memory provides a persistent, trajectory-level memory that hierarchically stores both factual states and compressed experiential summaries, enabling a global view of the optimization process while reducing redundancy. Agent Skill offers an extensible collection of domain-specific expertise with on-demand loading, allowing the system to effectively handle diverse downstream applications. Across five mainstream tasks and four downstream tasks, evaluated on multiple generative backends, GEMS consistently achieves significant performance gains. Most notably, it enables the lightweight 6B model Z-Image-Turbo to surpass the state-of-the-art Nano Banana 2 on GenEval2, demonstrating the effectiveness of agent harness in extending model capabilities beyond their original limits.

The assessment of safety performance plays a pivotal role in the development and deployment of connected and automated vehicles (CAVs). A common approach involves designing testing scenarios based on prior knowledge of CAVs (e.g., surrogate models), conducting tests in these scenarios, and subsequently evaluating CAVs' safety performances. However, substantial differences between CAVs and the prior knowledge can significantly diminish the evaluation efficiency. In response to this issue, existing studies predominantly concentrate on the adaptive design of testing scenarios during the CAV testing process. Yet, these methods have limitations in their applicability to high-dimensional scenarios. To overcome this challenge, we develop an adaptive testing environment that bolsters evaluation robustness by incorporating multiple surrogate models and optimizing the combination coefficients of these surrogate models to enhance evaluation efficiency. We formulate the optimization problem as a regression task utilizing quadratic programming. To efficiently obtain the regression target via reinforcement learning, we propose the dense reinforcement learning method and devise a new adaptive policy with high sample efficiency. Essentially, our approach centers on learning the values of critical scenes displaying substantial surrogate-to-real gaps. The effectiveness of our method is validated in high-dimensional overtaking scenarios, demonstrating that our approach achieves notable evaluation efficiency.

Learned optimizers are powerful alternatives to hand-designed update rules like Adam, yet they have seen limited practical adoption since they often fail to meta-generalize beyond their training distribution and incur high meta-training cost. For instance, prior work, VeLO, scaled meta-training to 4,000 TPU months (sim10times GPT-3 compute) to meta-train a general-purpose optimizer but it failed to generalize beyond 600M parameters tasks. In this work, we present a surprising finding: by crafting a simple normalized optimizer architecture and augmenting meta-training, it becomes feasible to meta-train a performant general-purpose learned update rule on a tiny fraction of VeLO compute, 4.5 GPU hours to be precise. Our learned update rule scales stably to a billion-scale pretraining task (GPT-3 XL 1.3B) which is six orders of magnitude larger than its meta-training distribution. Furthermore, it shows strong performance across diverse out-of-distribution tasks and is compatible with modern optimization harness that includes orthogonalization, distinct update rules for input-output and hidden weights, and decoupled weight decay. In all, this work paves the way for practically applicable learnable optimization algorithms, unlocking exploration of richer meta-training and data curation recipes to further improve performance.

Despite recent advancements, most computational methods for molecule optimization are constrained to single- or double-property optimization tasks and suffer from poor scalability and generalizability to novel optimization tasks. Meanwhile, Large Language Models (LLMs) demonstrate remarkable out-of-domain generalizability to novel tasks. To demonstrate LLMs' potential for molecule optimization, we introduce MoMUInstruct, the first high-quality instruction-tuning dataset specifically focused on complex multi-property molecule optimization tasks. Leveraging MoMUInstruct, we develop GeLLM^3Os, a series of instruction-tuned LLMs for molecule optimization. Extensive evaluations across 5 in-domain and 5 out-of-domain tasks demonstrate that GeLLM^3Os consistently outperform state-of-the-art baselines. GeLLM^3Os also exhibit outstanding zero-shot generalization to unseen tasks, significantly outperforming powerful closed-source LLMs. Such strong generalizability demonstrates the tremendous potential of GeLLM^3Os as foundational models for molecule optimization, thereby tackling novel optimization tasks without resource-intensive retraining. MoMUInstruct, models, and code are accessible through https://github.com/ninglab/GeLLMO.

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems. We provide code, data, an interactive leaderboard, and other resources at https://github.com/Lyleregenwetter/BikeBench.

Large Reasoning Models (LRMs) have demonstrated strong capabilities in complex multi-step reasoning, opening new opportunities for automating optimization modeling. However, existing domain adaptation methods, originally designed for earlier instruction-tuned models, often fail to exploit the advanced reasoning patterns of modern LRMs -- In particular, we show that direct fine-tuning on traditional non-reflective datasets leads to limited gains. To fully leverage LRMs' inherent reasoning abilities, we propose CALM (Corrective Adaptation with Lightweight Modification), a framework that progressively refines LRMs within their native reasoning modes for optimization modeling tasks. In CALM, an expert intervener identifies reasoning flaws and provides concise corrective hints, which the LRM incorporates to produce improved reasoning trajectories. These interventions modify fewer than 2.6\% of generated tokens, but generate high-quality data for soft adaptation through supervised fine-tuning. The adapted model is then further improved through reinforcement learning. Building on CALM, we develop STORM (Smart Thinking Optimization Reasoning Model), a 4B-parameter LRM that achieves a new state-of-the-art average accuracy of 68.9\% across five popular optimization modeling benchmarks, matching the performance of a 671B LRM. These results demonstrate that dynamic, hint-based data synthesis both preserves and amplifies the native reasoning patterns of modern LRMs, offering a more effective and scalable path towards expert-level performance on challenging optimization modeling tasks.

We introduce Riemannian Lyapunov Optimizers (RLOs), a family of optimization algorithms that unifies classic optimizers within one geometric framework. Unlike heuristic improvements to existing optimizers, RLOs are systematically derived from a novel control-theoretic framework that reinterprets optimization as an extended state discrete-time controlled dynamical system on a Riemannian parameter manifold. Central to this framework is the identification of a Normally Attracting Invariant Manifold (NAIM), which organizes training dynamics into two distinct stages: rapid alignment of the speed state to a target graph, followed by controlled evolution within it. We formalize this by constructing a strict Lyapunov function that certifies convergence to a target manifold. This perspective yields a constructive ``optimizer generator" that not only recovers classic algorithms but enables the principled design of RLOs. We validate our theory via geometric diagnostics and demonstrate that grounding optimizer design in control theory yields state-of-the-art performance in large-scale benchmarks. Overall, RLOs bridge control theory and modern machine learning optimization, providing a unified language and a systematic toolkit for designing stable, effective optimizers.

By employing large language models (LLMs) to retrieve documents and generate natural language responses, Generative Engines, such as Google AI overview and ChatGPT, provide significantly enhanced user experiences and have rapidly become the new form of search. Their rapid adoption also drives the needs of Generative Engine Optimization (GEO), as content providers are eager to gain more traction from them. In this paper, we introduce AutoGEO, a framework to automatically learn generative engine preferences when using retrieved contents for response generation, and rewrite web contents for more such traction. AutoGEO first prompts frontier LLMs to explain generative engine preferences and extract meaningful preference rules from these explanations. Then it uses preference rules as context engineering for AutoGEO_API, a prompt-based GEO system, and as rule-based rewards to train AutoGEO_Mini, a cost-effective GEO model. Experiments on the standard GEO-Bench and two newly constructed benchmarks using real user queries demonstrate the effectiveness of AutoGEO in enhancing content traction while preserving search utility. Analyses confirm the learned rules' robustness and abilities to capture unique preferences in variant domains, and AutoGEO systems' ability to embed them in content optimization. The code is released at https://github.com/cxcscmu/AutoGEO.

Integrating Large Language Models (LLMs) with Knowledge Graphs (KGs) results in complex systems with numerous hyperparameters that directly affect performance. While such systems are increasingly common in retrieval-augmented generation, the role of systematic hyperparameter optimization remains underexplored. In this paper, we study this problem in the context of Cognee, a modular framework for end-to-end KG construction and retrieval. Using three multi-hop QA benchmarks (HotPotQA, TwoWikiMultiHop, and MuSiQue) we optimize parameters related to chunking, graph construction, retrieval, and prompting. Each configuration is scored using established metrics (exact match, F1, and DeepEval's LLM-based correctness metric). Our results demonstrate that meaningful gains can be achieved through targeted tuning. While the gains are consistent, they are not uniform, with performance varying across datasets and metrics. This variability highlights both the value of tuning and the limitations of standard evaluation measures. While demonstrating the immediate potential of hyperparameter tuning, we argue that future progress will depend not only on architectural advances but also on clearer frameworks for optimization and evaluation in complex, modular systems.

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.

Despite the integration of safety alignment and external filters, text-to-image (T2I) generative models are still susceptible to producing harmful content, such as sexual or violent imagery. This raises serious concerns about unintended exposure and potential misuse. Red teaming, which aims to proactively identify diverse prompts that can elicit unsafe outputs from the T2I system (including the core generative model as well as potential external safety filters and other processing components), is increasingly recognized as an essential method for assessing and improving safety before real-world deployment. Yet, existing automated red teaming approaches often treat prompt discovery as an isolated, prompt-level optimization task, which limits their scalability, diversity, and overall effectiveness. To bridge this gap, in this paper, we propose DREAM, a scalable red teaming framework to automatically uncover diverse problematic prompts from a given T2I system. Unlike most prior works that optimize prompts individually, DREAM directly models the probabilistic distribution of the target system's problematic prompts, which enables explicit optimization over both effectiveness and diversity, and allows efficient large-scale sampling after training. To achieve this without direct access to representative training samples, we draw inspiration from energy-based models and reformulate the objective into simple and tractable objectives. We further introduce GC-SPSA, an efficient optimization algorithm that provide stable gradient estimates through the long and potentially non-differentiable T2I pipeline. The effectiveness of DREAM is validated through extensive experiments, demonstrating that it surpasses 9 state-of-the-art baselines by a notable margin across a broad range of T2I models and safety filters in terms of prompt success rate and diversity.

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.

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

Equipping Large Language Model (LLM) agents with domain-specific skills is critical for tackling complex tasks. Yet, manual authoring creates a severe scalability bottleneck. Conversely, automated skill generation often yields fragile or fragmented results because it either relies on shallow parametric knowledge or sequentially overfits to non-generalizable trajectory-local lessons. To overcome this, we introduce Trace2Skill, a framework that mirrors how human experts author skills: by holistically analyzing broad execution experience before distilling it into a single, comprehensive guide. Instead of reacting sequentially to individual trajectories, Trace2Skill dispatches a parallel fleet of sub-agents to analyze a diverse pool of executions. It extracts trajectory-specific lessons and hierarchically consolidates them into a unified, conflict-free skill directory via inductive reasoning. Trace2Skill supports both deepening existing human-written skills and creating new ones from scratch. Experiments in challenging domains, such as spreadsheet, VisionQA and math reasoning, show that Trace2Skill significantly improves upon strong baselines, including Anthropic's official xlsx skills. Crucially, this trajectory-grounded evolution does not merely memorize task instances or model-specific quirks: evolved skills transfer across LLM scales and generalize to OOD settings. For example, skills evolved by Qwen3.5-35B on its own trajectories improved a Qwen3.5-122B agent by up to 57.65 absolute percentage points on WikiTableQuestions. Ultimately, our results demonstrate that complex agent experience can be packaged into highly transferable, declarative skills -- requiring no parameter updates, no external retrieval modules, and utilizing open-source models as small as 35B parameters.

While deep learning models have replaced hand-designed features across many domains, these models are still trained with hand-designed optimizers. In this work, we leverage the same scaling approach behind the success of deep learning to learn versatile optimizers. We train an optimizer for deep learning which is itself a small neural network that ingests gradients and outputs parameter updates. Meta-trained with approximately four thousand TPU-months of compute on a wide variety of optimization tasks, our optimizer not only exhibits compelling performance, but optimizes in interesting and unexpected ways. It requires no hyperparameter tuning, instead automatically adapting to the specifics of the problem being optimized. We open source our learned optimizer, meta-training code, the associated train and test data, and an extensive optimizer benchmark suite with baselines at velo-code.github.io.

We study the problem of black-box optimization of a function f of any dimension, given function evaluations perturbed by noise. The function is assumed to be locally smooth around one of its global optima, but this smoothness is unknown. Our contribution is an adaptive optimization algorithm, POO or parallel optimistic optimization, that is able to deal with this setting. POO performs almost as well as the best known algorithms requiring the knowledge of the smoothness. Furthermore, POO works for a larger class of functions than what was previously considered, especially for functions that are difficult to optimize, in a very precise sense. We provide a finite-time analysis of POO's performance, which shows that its error after n evaluations is at most a factor of sqrt(ln n) away from the error of the best known optimization algorithms using the knowledge of the smoothness.

Prompt engineering can significantly improve the performance of large language models (LLMs), with automated prompt optimization (APO) gaining significant attention due to the time-consuming and laborious nature of manual prompt design. However, much of the existing work in APO overlooks task-specific characteristics, resulting in prompts that lack domain specificity and are not well-suited for task-specific optimization. In this paper, we introduce TAPO, a multitask-aware prompt optimization framework composed of three key modules. First, a task-aware metric selection module is proposed to enhance task-specific prompt generation capabilities. Second, we present a multi-metrics evaluation module to jointly evaluate prompts from multiple perspectives. Third, an evolution-based optimization framework is introduced for automatic prompt refinement, which improves adaptability across various tasks. Extensive experiments on six datasets demonstrate the effectiveness of our approach, and our code is publicly available.

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}

A persistent skill library allows language model agents to reuse successful strategies across tasks. Maintaining such a library requires three coupled capabilities. The agent selects a relevant skill, utilizes it during execution, and distills new skills from experience. Existing methods optimize these capabilities in isolation or with separate reward sources, resulting in partial and conflicting evolution. We propose Skill1, a framework that trains a single policy to co-evolve skill selection, utilization, and distillation toward a shared task-outcome objective. The policy generates a query to search the skill library, re-ranks candidates to select one, solves the task conditioned on it, and distills a new skill from the trajectory. All learning derives from a single task-outcome signal. Its low-frequency trend credits selection and its high-frequency variation credits distillation. Experiments on ALFWorld and WebShop show that Skill1 outperforms prior skill-based and reinforcement learning baselines. Training dynamics confirm the co-evolution of the three capabilities, and ablations show that removing any credit signal degrades the evolution.

Supervised Fine-Tuning (SFT) Large Language Models (LLM) fundamentally rely on high-quality training data. While data selection and data synthesis are two common strategies to improve data quality, existing approaches often face limitations in static dataset curation that fail to adapt to evolving model capabilities. In this paper, we introduce Middo, a self-evolving Model-informed dynamic data optimization framework that uses model-aware data selection and context-preserving data refinement. Unlike conventional one-off filtering/synthesis methods, our framework establishes a closed-loop optimization system: (1) A self-referential diagnostic module proactively identifies suboptimal samples through tri-axial model signals - loss patterns (complexity), embedding cluster dynamics (diversity), and self-alignment scores (quality); (2) An adaptive optimization engine then transforms suboptimal samples into pedagogically valuable training points while preserving semantic integrity; (3) This optimization process continuously evolves with model capability through dynamic learning principles. Experiments on multiple benchmarks demonstrate that our \method consistently enhances the quality of seed data and boosts LLM's performance with improving accuracy by 7.15% on average while maintaining the original dataset scale. This work establishes a new paradigm for sustainable LLM training through dynamic human-AI co-evolution of data and models. Our datasets, models, and code are coming soon.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structured design template, incurring high learning costs and resulting in low reusability. In addition, it is not conducive to the iterative updating of prompts. Inspired by structured reusable programming languages, we propose LangGPT, a dual-layer prompt design framework as the programming language for LLMs. LangGPT has an easy-to-learn normative structure and provides an extended structure for migration and reuse. Experiments illustrate that LangGPT significantly enhances the performance of LLMs. Moreover, the case study shows that LangGPT leads LLMs to generate higher-quality responses. Furthermore, we analyzed the ease of use and reusability of LangGPT through a user survey in our online community.

Bayesian Optimization (BO) is a foundational strategy in the field of engineering design optimization for efficiently handling black-box functions with many constraints and expensive evaluations. This paper introduces a fast and accurate BO framework that leverages Pre-trained Transformers for Bayesian Optimization (PFN4sBO) to address constrained optimization problems in engineering. Unlike traditional BO methods that rely heavily on Gaussian Processes (GPs), our approach utilizes Prior-data Fitted Networks (PFNs), a type of pre-trained transformer, to infer constraints and optimal solutions without requiring any iterative retraining. We demonstrate the effectiveness of PFN-based BO through a comprehensive benchmark consisting of fifteen test problems, encompassing synthetic, structural, and engineering design challenges. Our findings reveal that PFN-based BO significantly outperforms Constrained Expected Improvement and Penalty-based GP methods by an order of magnitude in speed while also outperforming them in accuracy in identifying feasible, optimal solutions. This work showcases the potential of integrating machine learning with optimization techniques in solving complex engineering challenges, heralding a significant leap forward for optimization methodologies, opening up the path to using PFN-based BO to solve other challenging problems, such as enabling user-guided interactive BO, adaptive experiment design, or multi-objective design optimization. Additionally, we establish a benchmark for evaluating BO algorithms in engineering design, offering a robust platform for future research and development in the field. This benchmark framework for evaluating new BO algorithms in engineering design will be published at https://github.com/rosenyu304/BOEngineeringBenchmark.

We trained a convolutional neural network (CNN) to map raw pixels from a single front-facing camera directly to steering commands. This end-to-end approach proved surprisingly powerful. With minimum training data from humans the system learns to drive in traffic on local roads with or without lane markings and on highways. It also operates in areas with unclear visual guidance such as in parking lots and on unpaved roads. The system automatically learns internal representations of the necessary processing steps such as detecting useful road features with only the human steering angle as the training signal. We never explicitly trained it to detect, for example, the outline of roads. Compared to explicit decomposition of the problem, such as lane marking detection, path planning, and control, our end-to-end system optimizes all processing steps simultaneously. We argue that this will eventually lead to better performance and smaller systems. Better performance will result because the internal components self-optimize to maximize overall system performance, instead of optimizing human-selected intermediate criteria, e.g., lane detection. Such criteria understandably are selected for ease of human interpretation which doesn't automatically guarantee maximum system performance. Smaller networks are possible because the system learns to solve the problem with the minimal number of processing steps. We used an NVIDIA DevBox and Torch 7 for training and an NVIDIA DRIVE(TM) PX self-driving car computer also running Torch 7 for determining where to drive. The system operates at 30 frames per second (FPS).

Knowledge editing for large language models can offer an efficient solution to alter a model's behavior without negatively impacting the overall performance. However, the current approach encounters issues with limited generalizability across tasks, necessitating one distinct editor for each task, which significantly hinders the broader applications. To address this, we take the first step to analyze the multi-task generalization issue in knowledge editing. Specifically, we develop an instruction-based editing technique, termed InstructEdit, which facilitates the editor's adaptation to various task performances simultaneously using simple instructions. With only one unified editor for each LLM, we empirically demonstrate that InstructEdit can improve the editor's control, leading to an average 14.86% increase in Reliability in multi-task editing setting. Furthermore, experiments involving holdout unseen task illustrate that InstructEdit consistently surpass previous strong baselines. To further investigate the underlying mechanisms of instruction-based knowledge editing, we analyze the principal components of the editing gradient directions, which unveils that instructions can help control optimization direction with stronger OOD generalization. Code and datasets will be available in https://github.com/zjunlp/EasyEdit.

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.

Automatic evaluation of natural language generation has long been an elusive goal in NLP.A recent paradigm fine-tunes pre-trained language models to emulate human judgements for a particular task and evaluation criterion. Inspired by the generalization ability of instruction-tuned models, we propose a learned metric based on instruction tuning. To test our approach, we collected HEAP, a dataset of human judgements across various NLG tasks and evaluation criteria. Our findings demonstrate that instruction tuning language models on HEAP yields good performance on many evaluation tasks, though some criteria are less trivial to learn than others. Further, jointly training on multiple tasks can yield additional performance improvements, which can be beneficial for future tasks with little to no human annotated data.

With the widespread deployment of large language models (LLMs) such as GPT4, BART, and LLaMA, the need for a system that can intelligently select the most suitable model for specific tasks while balancing cost, latency, accuracy, and ethical considerations has become increasingly important. Recognizing that not all tasks necessitate models with over 100 billion parameters, we introduce OptiRoute, an advanced model routing engine designed to dynamically select and route tasks to the optimal LLM based on detailed user-defined requirements. OptiRoute captures both functional (e.g., accuracy, speed, cost) and non-functional (e.g., helpfulness, harmlessness, honesty) criteria, leveraging lightweight task analysis and complexity estimation to efficiently match tasks with the best-fit models from a diverse array of LLMs. By employing a hybrid approach combining k-nearest neighbors (kNN) search and hierarchical filtering, OptiRoute optimizes for user priorities while minimizing computational overhead. This makes it ideal for real-time applications in cloud-based ML platforms, personalized AI services, and regulated industries.

Large language models (LLMs) have shown increasing power on various natural language processing (NLP) tasks. However, tuning these models for downstream tasks usually needs exorbitant costs or is unavailable due to commercial considerations. Recently, black-box tuning has been proposed to address this problem by optimizing task-specific prompts without accessing the gradients and hidden representations. However, most existing works have yet fully exploited the potential of gradient-free optimization under the scenario of few-shot learning. In this paper, we describe BBT-RGB, a suite of straightforward and complementary techniques for enhancing the efficiency and performance of black-box optimization. Specifically, our method includes three plug-and-play components: (1) Two-stage derivative-free optimization strategy that facilitates fast convergence and mitigates overfitting; (2) Automatic verbalizer construction with its novel usage under few-shot settings; (3) Better prompt initialization policy based on instruction search and auto-selected demonstration. Extensive experiments across various tasks on natural language understanding and inference demonstrate the effectiveness of our method. Our codes are publicly available at https://github.com/QiushiSun/BBT-RGB.

LLM agents increasingly adopt skills as a reusable unit of composition. While skills are shared across diverse agent platforms, current systems treat them as raw context, causing the same skill to behave inconsistently for different agents. This fragility undermines skill portability and execution efficiency. To address this challenge, we analyze 118,000 skills and draw inspiration from traditional compiler design. We treat skills as code and LLMs as heterogeneous processors. To make portability actionable, we decompose a skill's requirements into a set of primitive capabilities, and measure how well each model-harness pair supports them. Based on these capability profiles, we propose SkVM, a compilation and runtime system designed for portable and efficient skill execution. At compile time, SkVM performs capability-based compilation, environment binding, and concurrency extraction. At runtime, SkVM applies JIT code solidification and adaptive recompilation for performance optimization. We evaluate SkVM across eight LLMs of varying scales and three agent harnesses, covering SkillsBench and representative skill tasks. Results demonstrate that SkVM significantly improves task completion rates across different models and environments while reducing token consumption by up to 40%. In terms of performance, SkVM achieves up to 3.2x speedup with enhanced parallelism, and 19-50x latency reduction through code solidification.

Recently, there has been a widespread proliferation of "expert" language models that are specialized to a specific task or domain through parameter-efficient fine-tuning. How can we recycle large collections of expert language models to improve zero-shot generalization to unseen tasks? In this work, we propose Post-Hoc Adaptive Tokenwise Gating Over an Ocean of Specialized Experts (PHATGOOSE), which learns to route among specialized modules that were produced through parameter-efficient fine-tuning. Unlike past methods that learn to route among specialized models, PHATGOOSE explores the possibility that zero-shot generalization will be improved if different experts can be adaptively chosen for each token and at each layer in the model. Crucially, our method is post-hoc - it does not require simultaneous access to the datasets used to create the specialized models and only requires a modest amount of additional compute after each expert model is trained. In experiments covering a range of specialized model collections and zero-shot generalization benchmarks, we find that PHATGOOSE outperforms past methods for post-hoc routing and, in some cases, outperforms explicit multitask training (which requires simultaneous data access). To better understand the routing strategy learned by PHATGOOSE, we perform qualitative experiments to validate that PHATGOOSE's performance stems from its ability to make adaptive per-token and per-module expert choices. We release all of our code to support future work on improving zero-shot generalization by recycling specialized experts.

Long-horizon language-model agents are dominated, in lines of code and in operational complexity, not by their underlying model but by the harness that wraps it: context compaction, tool caching, semantic memory, trajectory reuse, speculative tool prediction, and the glue that binds the model to a sandboxed execution environment. We argue that harness design is a first-class machine-learning problem and that automated configuration search dominates manual stacking once the flag space exceeds a handful of bits. We defend this claim in two steps. First, we formalize automated harness optimization as constrained noisy Bayesian optimization over a mixed-variable, cost-heterogeneous configuration space with cold-start-corrected rewards and a posterior chance-constrained safety check, and give a reference solver, HARBOR (Harness Axis-aligned Regularized Bayesian Optimization Routine), built from a block-additive SAAS surrogate, multi-fidelity cost-aware acquisition, and TuRBO trust regions. Second, we instantiate the problem in a flag-gated harness over a production coding agent and report a controlled four-round manual-tuning case study against a fixed task suite and an end-to-end HARBOR run. The formulation itself is task-class agnostic: the configuration space, reward correction, acquisition, and safety check apply to any agent harness with a bounded flag space and a reproducible task suite.

End-to-end autonomous driving policies based on Imitation Learning (IL) often struggle in closed-loop execution due to the misalignment between inadequate open-loop training objectives and real driving requirements. While Reinforcement Learning (RL) offers a solution by directly optimizing driving goals via reward signals, the rendering-based training environments introduce the rendering gap and are inefficient due to high computational costs. To overcome these challenges, we present a novel Pseudo-simulation-based RL method for closed-loop end-to-end autonomous driving, PerlAD. Based on offline datasets, PerlAD constructs a pseudo-simulation that operates in vector space, enabling efficient, rendering-free trial-and-error training. To bridge the gap between static datasets and dynamic closed-loop environments, PerlAD introduces a prediction world model that generates reactive agent trajectories conditioned on the ego vehicle's plan. Furthermore, to facilitate efficient planning, PerlAD utilizes a hierarchical decoupled planner that combines IL for lateral path generation and RL for longitudinal speed optimization. Comprehensive experimental results demonstrate that PerlAD achieves state-of-the-art performance on the Bench2Drive benchmark, surpassing the previous E2E RL method by 10.29% in Driving Score without requiring expensive online interactions. Additional evaluations on the DOS benchmark further confirm its reliability in handling safety-critical occlusion scenarios.

The size of vision models has grown exponentially over the last few years, especially after the emergence of Vision Transformer. This has motivated the development of parameter-efficient tuning methods, such as learning adapter layers or visual prompt tokens, which allow a tiny portion of model parameters to be trained whereas the vast majority obtained from pre-training are frozen. However, designing a proper tuning method is non-trivial: one might need to try out a lengthy list of design choices, not to mention that each downstream dataset often requires custom designs. In this paper, we view the existing parameter-efficient tuning methods as "prompt modules" and propose Neural prOmpt seArcH (NOAH), a novel approach that learns, for large vision models, the optimal design of prompt modules through a neural architecture search algorithm, specifically for each downstream dataset. By conducting extensive experiments on over 20 vision datasets, we demonstrate that NOAH (i) is superior to individual prompt modules, (ii) has a good few-shot learning ability, and (iii) is domain-generalizable. The code and models are available at https://github.com/Davidzhangyuanhan/NOAH.

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.

End-to-end autonomous driving has emerged as a promising paradigm for directly mapping sensor inputs to planning maneuvers using learning-based modular integrations. However, existing imitation learning (IL)-based models suffer from generalization to hard cases, and a lack of corrective feedback loop under post-deployment. While reinforcement learning (RL) offers a potential solution to tackle hard cases with optimality, it is often hindered by overfitting to specific driving cases, resulting in catastrophic forgetting of generalizable knowledge and sample inefficiency. To overcome these challenges, we propose Reinforced Refinement with Self-aware Expansion (R2SE), a novel learning pipeline that constantly refines hard domain while keeping generalizable driving policy for model-agnostic end-to-end driving systems. Through reinforcement fine-tuning and policy expansion that facilitates continuous improvement, R2SE features three key components: 1) Generalist Pretraining with hard-case allocation trains a generalist imitation learning (IL) driving system while dynamically identifying failure-prone cases for targeted refinement; 2) Residual Reinforced Specialist Fine-tuning optimizes residual corrections using reinforcement learning (RL) to improve performance in hard case domain while preserving global driving knowledge; 3) Self-aware Adapter Expansion dynamically integrates specialist policies back into the generalist model, enhancing continuous performance improvement. Experimental results in closed-loop simulation and real-world datasets demonstrate improvements in generalization, safety, and long-horizon policy robustness over state-of-the-art E2E systems, highlighting the effectiveness of reinforce refinement for scalable autonomous driving.

Prompt engineering is a challenging yet crucial task for optimizing the performance of large language models (LLMs). It requires complex reasoning to examine the model's errors, hypothesize what is missing or misleading in the current prompt, and communicate the task with clarity. While recent works indicate that LLMs can be meta-prompted to perform automatic prompt engineering, their potentials may not be fully untapped due to the lack of sufficient guidance to elicit complex reasoning capabilities in LLMs in the meta-prompt. In this work, we investigate the problem of "prompt engineering a prompt engineer" -- constructing a meta-prompt that more effectively guides LLMs to perform automatic prompt engineering. We introduce and analyze key components, such as a step-by-step reasoning template and context specification, which lead to improved performance. In addition, inspired by common optimization concepts such as batch size, step size and momentum, we introduce their verbalized counterparts to the meta-prompt and investigate their effects. Our final method, named PE2, finds a prompt that outperforms "let's think step by step" by 6.3% on the MultiArith dataset and 3.1% on the GSM8K dataset. To demonstrate its versatility, we apply PE2 to the Instruction Induction benchmark, a suite of counterfactual tasks, and a lengthy, real-world industrial prompt. In these settings, PE2 achieves strong performance and outperforms prior automatic prompt engineering baselines. Further, we show that PE2 makes meaningful and targeted prompt edits, amends erroneous or incomplete prompts, and presents non-trivial counterfactual reasoning abilities.

Large language models (LLMs) have transformed software development through code generation capabilities, yet their effectiveness for high-performance computing (HPC) remains limited. HPC code requires specialized optimizations for parallelism, memory efficiency, and architecture-specific considerations that general-purpose LLMs often overlook. We present MARCO (Multi-Agent Reactive Code Optimizer), a novel framework that enhances LLM-generated code for HPC through a specialized multi-agent architecture. MARCO employs separate agents for code generation and performance evaluation, connected by a feedback loop that progressively refines optimizations. A key innovation is MARCO's web-search component that retrieves real-time optimization techniques from recent conference proceedings and research publications, bridging the knowledge gap in pre-trained LLMs. Our extensive evaluation on the LeetCode 75 problem set demonstrates that MARCO achieves a 14.6\% average runtime reduction compared to Claude 3.5 Sonnet alone, while the integration of the web-search component yields a 30.9\% performance improvement over the base MARCO system. These results highlight the potential of multi-agent systems to address the specialized requirements of high-performance code generation, offering a cost-effective alternative to domain-specific model fine-tuning.

Instruction-based language modeling has received significant attention in pretrained language models. However, the efficiency of instruction engineering remains low and hinders the development of instruction studies. Recent studies have focused on automating instruction generation, but they primarily aim to improve performance without considering other crucial objectives that impact instruction quality, such as instruction length and perplexity. Therefore, we propose a novel approach (i.e., InstOptima) that treats instruction generation as an evolutionary multi-objective optimization problem. In contrast to text edition-based methods, our approach utilizes a large language model (LLM) to simulate instruction operators, including mutation and crossover. Furthermore, we introduce an objective-guided mechanism for these operators, allowing the LLM to comprehend the objectives and enhance the quality of the generated instructions. Experimental results demonstrate improved fine-tuning performance and the generation of a diverse set of high-quality instructions.

This paper presents a practical investigation into fine-tuning model parameters for mathematical reasoning tasks through experimenting with various configurations including randomness control, reasoning depth, and sampling strategies, careful tuning demonstrates substantial improvements in efficiency as well as performance. A holistically optimized framework is introduced for five state-of-the-art models on mathematical reasoning tasks, exhibiting significant performance boosts while maintaining solution correctness. Through systematic parameter optimization across Qwen2.5-72B, Llama-3.1-70B, DeepSeek-V3, Mixtral-8x22B, and Yi-Lightning, consistent efficiency gains are demonstrated with 100% optimization success rate. The methodology achieves an average 29.4% reduction in computational cost and 23.9% improvement in inference speed across all tested models. This framework systematically searches parameter spaces including temperature (0.1-0.5), reasoning steps (4-12), planning periods (1-4), and nucleus sampling (0.85-0.98), determining optimal configurations through testing on mathematical reasoning benchmarks. Critical findings show that lower temperature regimes (0.1-0.4) and reduced reasoning steps (4-6) consistently enhance efficiency without compromising accuracy. DeepSeek-V3 achieves the highest accuracy at 98%, while Mixtral-8x22B delivers the most cost-effective performance at 361.5 tokens per accurate response. Key contributions include: (1) the first comprehensive optimization study for five diverse SOTA models in mathematical reasoning, (2) a standardized production-oriented parameter optimization framework, (3) discovery of universal optimization trends applicable across model architectures, and (4) production-ready configurations with extensive performance characterization.

Continuing advances in frontier model research are paving the way for widespread deployment of AI agents. Meanwhile, global interest in building large, complex systems in software, manufacturing, energy and logistics has never been greater. Although AI driven system engineering holds tremendous promise, the static benchmarks dominating agent evaluations today fail to capture the crucial skills required for implementing dynamic systems, such as managing uncertain trade-offs and ensuring proactive adaptability. This position paper advocates for training and evaluating AI agents' system engineering abilities through automation-oriented sandbox games-particularly Factorio. By directing research efforts in this direction, we can equip AI agents with the specialized reasoning and long-horizon planning necessary to design, maintain, and optimize tomorrow's most demanding engineering projects.

Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar selection, ES). Despite their shared objective, these have evolved rather independently, with IO recently receiving more research attention. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and ES techniques, both isolation and combination, on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars consistently improves performance over IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with ES strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe synergy between ES and IO, with optimal combinations surpassing individual contributions. We conclude that studying exemplar selection as a standalone method and its optimal combination with instruction optimization remains a crucial aspect of APO and deserves greater consideration in future research, even in the era of highly capable instruction-following models.

Autonomous web agents powered by large language models (LLMs) have shown promise in completing complex browser tasks, yet they still struggle with long-horizon workflows. A key bottleneck is the grounding gap in existing skill formulations: textual workflow skills provide natural language guidance but cannot be directly executed, while code-based skills are executable but opaque to the agent, offering no step-level understanding for error recovery or adaptation. We introduce WebXSkill, a framework that bridges this gap with executable skills, each pairing a parameterized action program with step-level natural language guidance, enabling both direct execution and agent-driven adaptation. WebXSkill operates in three stages: skill extraction mines reusable action subsequences from readily available synthetic agent trajectories and abstracts them into parameterized skills, skill organization indexes skills into a URL-based graph for context-aware retrieval, and skill deployment exposes two complementary modes, grounded mode for fully automated multi-step execution and guided mode where skills serve as step-by-step instructions that the agent follows with its native planning. On WebArena and WebVoyager, WebXSkill improves task success rate by up to 9.8 and 12.9 points over the baseline, respectively, demonstrating the effectiveness of executable skills for web agents. The code is publicly available at https://github.com/aiming-lab/WebXSkill.

Web-based 'deep research' agents aim to solve complex question - answering tasks through long-horizon interactions with online tools. These tasks remain challenging, as the underlying language models are often not optimized for long-horizon reasoning and exploration. Prior work has proposed workflows for constructing instruction-tuning datasets, often leveraging knowledge graphs. However, such methods typically lack fine-grained control over difficulty and quality, yielding synthetic data that falls short of capturing the complexity required for long-horizon reasoning. Furthermore, many studies conflate data and training effects by comparing models trained under different optimization recipes, making it difficult to isolate and evaluate the effectiveness of the data itself. We introduce a two-pronged data synthesis pipeline that generates question - answer pairs by progressively increasing task complexity until a frontier baseline web agent fails. The baseline agent plays multiple roles in this process: attempting the questions, validating factuality, checking for alternative answers, and enforcing filtering. To evaluate the effectiveness of our synthesis methods, we adopt a controlled training setup based on distillation from strong web agents. Experiments across multiple web-based benchmarks show that our dataset - despite being smaller - enables the training of more effective web agents than existing datasets. In particular, our data exhibits twice the diversity in tool-use actions, allowing models trained on it to achieve stronger performance while avoiding repetitive tool-calling behaviors.

As the capability frontier of autonomous agents continues to expand, they are increasingly able to complete specialized tasks through plug-and-play external skills. Yet current benchmarks mostly test whether models can use provided skills, leaving open whether they can discover skills from experience, repair them after failure, and maintain a coherent library over time. We introduce SkillFlow, a benchmark of 166 tasks across 20 families in which task construction within each family follows a Domain-Agnostic Execution Flow (DAEF) that defines an agent workflow framework, allowing these tasks to share a consistent workflow. Agents are evaluated under an Agentic Lifelong Learning protocol in which they begin without skills, solve tasks sequentially within each family, externalize lessons through trajectory- and rubric-driven skill patches, and carry the updated library forward. Experiments reveal a substantial capability gap. For Claude Opus 4.6, lifelong skill evolution improves task success from 62.65% to 71.08% (+8.43 points). However, high skill usage does not necessarily imply high utility: Kimi K2.5 gains only +0.60 points despite 66.87% skill usage, while Qwen-Coder-Next reaches only a 44.58% task completion rate and still regresses relative to the vanilla setting. SkillFlow contributes a structured testbed for this direction and an in-depth empirical analysis of skill discovery, patching, transfer, and their failure modes under lifelong evaluation.

As large language models (LLMs) evolve into agentic problem solvers, they increasingly rely on external, reusable skills to handle tasks beyond their native parametric capabilities. In existing agent systems, the dominant strategy for incorporating skills is to explicitly enumerate available skills within the context window. However, this strategy fails to scale: as skill corpora expand, context budgets are consumed rapidly, and the agent becomes markedly less accurate in identifying the right skill. To this end, this paper formulates Skill Retrieval Augmentation (SRA), a new paradigm in which agents dynamically retrieve, incorporate, and apply relevant skills from large external skill corpora on demand. To make this problem measurable, we construct a large-scale skill corpus and introduce SRA-Bench, the first benchmark for decomposed evaluation of the full SRA pipeline, covering skill retrieval, skill incorporation, and end-task execution. SRA-Bench contains 5,400 capability-intensive test instances and 636 manually constructed gold skills, which are mixed with web-collected distractor skills to form a large-scale corpus of 26,262 skills. Extensive experiments show that retrieval-based skill augmentation can substantially improve agent performance, validating the promise of the paradigm. At the same time, we uncover a fundamental gap in skill incorporation: current LLM agents tend to load skills at similar rates, regardless of whether a gold skill is retrieved or whether the task actually requires external capabilities. This shows that the bottleneck in skill augmentation lies not only in retrieval but also in the base model's ability to determine which skill to load and when external loading is actually needed. These findings position SRA as a distinct research problem and establish a foundation for the scalable augmentation of capabilities in future agent systems.

Context: Automated code generation using Foundation Models (FMs) offers promising solutions for enhancing software development efficiency. However, challenges remain in ensuring domain specificity, cost-effectiveness, and security - especially when relying on third-party APIs. This paper introduces CodeLSI, a framework that combines low-rank optimization and domain-specific instruction tuning to address these challenges. Objectives: The aim of this study is to develop and evaluate CodeLSI, a novel approach for generating high-quality code tailored to specific domains, using FMs fine-tuned on company infrastructure without dependence on external APIs. Methods: CodeLSI applies low-rank adaptation techniques to reduce the computational cost of model pre-training and fine-tuning. Domain-specific instruction tuning is employed to align code generation with organizational needs. We implemented and tested the framework on real-world JavaScript coding tasks using datasets drawn from internal software projects. Results: Experimental evaluations show that CodeLSI produces high-quality, context aware code. It outperforms baseline models in terms of relevance, accuracy, and domain fit. The use of low-rank optimization significantly reduced resource requirements, enabling scalable training on company-owned infrastructure. Conclusion: CodeLSI demonstrates that combining low-rank optimization with domain specific tuning can enhance the practicality and performance of FMs for automated code generation. This approach provides a secure, cost-efficient alternative to commercial API based solutions and supports faster, more targeted innovation in software development.

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

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.

LLM-Agents have evolved into autonomous systems for complex task execution, with the SKILL.md specification emerging as a de facto standard for encapsulating agent capabilities. However, a critical bottleneck remains: different agent frameworks exhibit starkly different sensitivities to prompt formatting, causing up to 40% performance variation, yet nearly all skills exist as a single, format-agnostic Markdown version. Manual per-platform rewriting creates an unsustainable maintenance burden, while prior audits have found that over one third of community skills contain security vulnerabilities. To address this, we present SkCC, a compilation framework that introduces classical compiler design into agent skill development. At its core, SkIR - a strongly-typed intermediate representation - decouples skill semantics from platform-specific formatting, enabling portable deployment across heterogeneous agent frameworks. Around this IR, a compile-time Analyzer enforces security constraints via Anti-Skill Injection before deployment. Through a four-phase pipeline, SkCC reduces adaptation complexity from O(m times n) to O(m + n). Experiments on SkillsBench demonstrate that compiled skills consistently outperform their original counterparts, improving pass rates from 21.1% to 33.3% on Claude Code and from 35.1% to 48.7% on Kimi CLI, while achieving sub-10ms compilation latency, a 94.8% proactive security trigger rate, and 10-46% runtime token savings across platforms.

While skill-centric approaches leverage foundation models to enhance generalization in compositional tasks, they often rely on fixed skill libraries, limiting adaptability to new tasks without manual intervention. To address this, we propose Uni-Skill, a Unified Skill-centric framework that supports skill-aware planning and facilitates automatic skill evolution. Unlike prior methods that restrict planning to predefined skills, Uni-Skill requests for new skill implementations when existing ones are insufficient, ensuring adaptable planning with self-augmented skill library. To support automatic implementation of diverse skills requested by the planning module, we construct SkillFolder, a VerbNet-inspired repository derived from large-scale unstructured robotic videos. SkillFolder introduces a hierarchical skill taxonomy that captures diverse skill descriptions at multiple levels of abstraction. By populating this taxonomy with large-scale, automatically annotated demonstrations, Uni-Skill shifts the paradigm of skill acquisition from inefficient manual annotation to efficient offline structural retrieval. Retrieved examples provide semantic supervision over behavior patterns and fine-grained references for spatial trajectories, enabling few-shot skill inference without deployment-time demonstrations. Comprehensive experiments in both simulation and real-world settings verify the state-of-the-art performance of Uni-Skill over existing VLM-based skill-centric approaches, highlighting its advanced reasoning capabilities and strong zero-shot generalization across a wide range of novel tasks.

Agent skills can remarkably improve task success rates by using human-written procedural documents, but their quality is difficult to assess without environment-grounded verification. Existing skill generation methods heavily rely on preference logs rather than direct environment interaction, often yielding negligible or even degraded gains. We identify that it is a fundamental timing bottleneck: robust skills should be posterior-based, distilled from empirical environment interaction rather than prior plans. In this study, we introduce the Posterior Distillation Index (PDI), a trajectory-level metric that quantifies how well a distilled skill is grounded in the task-environment evidence. To operationalize PDI, we present SPARK (Structured Pipelines for Autonomous Runnable tasKs and sKill generation) for preserving task execution evidence towards full trajectory-level analysis. SPARK generates environment-verified trajectories used to compute PDI, and it applies PDI as an online diagnostic and intervention signal to ensure posterior skill formation. Across 86 runnable tasks, SPARK-generated skills consistently surpass no-skill baselines and outperform human-written skills on student models (inference cost up to 1,000x cheaper than teacher models). These findings show that PDI-guided distillation produces efficient and transferable skills grounded in the task-environment interaction. We release our code at https://github.com/EtaYang10th/spark-skills .

Understanding alignment techniques begins with comprehending zero-shot generalization brought by instruction tuning, but little of the mechanism has been understood. Existing work has largely been confined to the task level, without considering that tasks are artificially defined and, to LLMs, merely consist of tokens and representations. To bridge this gap, we investigate zero-shot generalization from the perspective of the data itself. We first demonstrate that zero-shot generalization happens very early during instruction tuning, with loss serving as a stable indicator. Next, we investigate training data arrangement through similarity and granularity perspectives, confirming that the timing of exposure to certain training examples may greatly facilitate generalization on unseen tasks. Finally, we propose a more grounded training data arrangement framework, Test-centric Multi-turn Arrangement, and show its effectiveness in promoting continual learning and further loss reduction. For the first time, we show that zero-shot generalization during instruction tuning is a form of similarity-based generalization between training and test data at the instance level. Our code is released at https://github.com/thunlp/Dynamics-of-Zero-Shot-Generalization.

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.

Policies developed through Reinforcement Learning (RL) and Imitation Learning (IL) have shown great potential in continuous control tasks, but real-world applications often require adapting trained policies to unforeseen requirements. While fine-tuning can address such needs, it typically requires additional data and access to the original training metrics and parameters. In contrast, an online planning algorithm, if capable of meeting the additional requirements, can eliminate the necessity for extensive training phases and customize the policy without knowledge of the original training scheme or task. In this work, we propose a generic online planning algorithm for customizing continuous-control policies at the execution time, which we call Residual-MPPI. It can customize a given prior policy on new performance metrics in few-shot and even zero-shot online settings, given access to the prior action distribution alone. Through our experiments, we demonstrate that the proposed Residual-MPPI algorithm can accomplish the few-shot/zero-shot online policy customization task effectively, including customizing the champion-level racing agent, Gran Turismo Sophy (GT Sophy) 1.0, in the challenging car racing scenario, Gran Turismo Sport (GTS) environment. Code for MuJoCo experiments is included in the supplementary and will be open-sourced upon acceptance. Demo videos and code are available on our website: https://sites.google.com/view/residual-mppi.

Instruction tuning -- tuning large language models on instruction-output pairs -- is a promising technique for making models better adapted to the real world. Yet, the key factors driving the model's capability to understand and follow instructions not seen during training remain under-explored. Our investigation begins with a series of synthetic experiments within the theoretical framework of a Turing-complete algorithm called Markov algorithm, which allows fine-grained control over the instruction-tuning data. Generalization and robustness with respect to the training distribution emerge once a diverse enough set of tasks is provided, even though very few examples are provided for each task. We extend these initial results to a real-world application scenario of code generation and find that a more diverse instruction set, extending beyond code-related tasks, improves the performance of code generation. Our observations suggest that a more diverse semantic space for instruction-tuning sets greatly improves the model's ability to follow instructions and perform tasks.

Large language models (LLMs) are remarked by their substantial computational requirements. To mitigate the cost, researchers develop specialized CUDA kernels, which often fuse several tensor operations to maximize the utilization of GPUs as much as possible. However, those specialized kernels may still leave performance on the table as CUDA assembly experts show that manual optimization of GPU SASS schedules can lead to better performance, and trial-and-error is largely employed to manually find the best GPU SASS schedules. In this work, we employ an automatic approach to optimize GPU SASS schedules, which thus can be integrated into existing compiler frameworks. The key to automatic optimization is training an RL agent to mimic how human experts perform manual scheduling. To this end, we formulate an assembly game, where RL agents can play to find the best GPU SASS schedules. The assembly game starts from a -O3 optimized SASS schedule, and the RL agents can iteratively apply actions to mutate the current schedules. Positive rewards are generated if the mutated schedules get higher throughput by executing on GPUs. Experiments show that CuAsmRL can further improve the performance of existing specialized CUDA kernels transparently by up to 26%, and on average 9%. Moreover, it is used as a tool to reveal potential optimization moves learned automatically.

Automatic Prompt Optimization (APO) has emerged as a critical technique for enhancing Large Language Model (LLM) performance, yet current state-of-the-art methods typically rely on large, labeled gold-standard development sets to compute fitness scores for evolutionary or Reinforcement Learning (RL) approaches. In real-world software engineering, however, such curated datasets are rarely available during the initial cold start of agent development, where engineers instead face messy production logs and evolving failure modes. We present ROAD (Reflective Optimization via Automated Debugging), a novel framework that bypasses the need for refined datasets by treating optimization as a dynamic debugging investigation rather than a stochastic search. Unlike traditional mutation strategies, ROAD utilizes a specialized multi-agent architecture, comprising an Analyzer for root-cause analysis, an Optimizer for pattern aggregation, and a Coach for strategy integration, to convert unstructured failure logs into robust, structured Decision Tree Protocols. We evaluated ROAD across both a standardized academic benchmark and a live production Knowledge Management engine. Experimental results demonstrate that ROAD is highly sample-efficient, achieving a 5.6 percent increase in success rate (73.6 percent to 79.2 percent) and a 3.8 percent increase in search accuracy within just three automated iterations. Furthermore, on complex reasoning tasks in the retail domain, ROAD improved agent performance by approximately 19 percent relative to the baseline. These findings suggest that mimicking the human engineering loop of failure analysis and patching offers a viable, data-efficient alternative to resource-intensive RL training for deploying reliable LLM agents.