Daily Papers

3D grasp synthesis generates grasping poses given an input object. Existing works tackle the problem by learning a direct mapping from objects to the distributions of grasping poses. However, because the physical contact is sensitive to small changes in pose, the high-nonlinear mapping between 3D object representation to valid poses is considerably non-smooth, leading to poor generation efficiency and restricted generality. To tackle the challenge, we introduce an intermediate variable for grasp contact areas to constrain the grasp generation; in other words, we factorize the mapping into two sequential stages by assuming that grasping poses are fully constrained given contact maps: 1) we first learn contact map distributions to generate the potential contact maps for grasps; 2) then learn a mapping from the contact maps to the grasping poses. Further, we propose a penetration-aware optimization with the generated contacts as a consistency constraint for grasp refinement. Extensive validations on two public datasets show that our method outperforms state-of-the-art methods regarding grasp generation on various metrics.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

The evolution of Large Language Models (LLMs) has resulted in a paradigm shift towards autonomous agents, necessitating robust security against Prompt Injection (PI) vulnerabilities where untrusted inputs hijack agent behaviors. This SoK presents a comprehensive overview of the PI landscape, covering attacks, defenses, and their evaluation practices. Through a systematic literature review and quantitative analysis, we establish taxonomies that categorize PI attacks by payload generation strategies (heuristic vs. optimization) and defenses by intervention stages (text, model, and execution levels). Our analysis reveals a key limitation shared by many existing defenses and benchmarks: they largely overlook context-dependent tasks, in which agents are authorized to rely on runtime environmental observations to determine actions. To address this gap, we introduce AgentPI, a new benchmark designed to systematically evaluate agent behavior under context-dependent interaction settings. Using AgentPI, we empirically evaluate representative defenses and show that no single approach can simultaneously achieve high trustworthiness, high utility, and low latency. Moreover, we show that many defenses appear effective under existing benchmarks by suppressing contextual inputs, yet fail to generalize to realistic agent settings where context-dependent reasoning is essential. This SoK distills key takeaways and open research problems, offering structured guidance for future research and practical deployment of secure LLM agents.

Generative AI agents, software systems powered by Large Language Models (LLMs), are emerging as a promising approach to automate cybersecurity tasks. Among the others, penetration testing is a challenging field due to the task complexity and the diverse strategies to simulate cyber-attacks. Despite growing interest and initial studies in automating penetration testing with generative agents, there remains a significant gap in the form of a comprehensive and standard framework for their evaluation and development. This paper introduces AutoPenBench, an open benchmark for evaluating generative agents in automated penetration testing. We present a comprehensive framework that includes 33 tasks, each representing a vulnerable system that the agent has to attack. Tasks are of increasing difficulty levels, including in-vitro and real-world scenarios. We assess the agent performance with generic and specific milestones that allow us to compare results in a standardised manner and understand the limits of the agent under test. We show the benefits of AutoPenBench by testing two agent architectures: a fully autonomous and a semi-autonomous supporting human interaction. We compare their performance and limitations. For example, the fully autonomous agent performs unsatisfactorily achieving a 21% Success Rate (SR) across the benchmark, solving 27% of the simple tasks and only one real-world task. In contrast, the assisted agent demonstrates substantial improvements, with 64% of SR. AutoPenBench allows us also to observe how different LLMs like GPT-4o or OpenAI o1 impact the ability of the agents to complete the tasks. We believe that our benchmark fills the gap with a standard and flexible framework to compare penetration testing agents on a common ground. We hope to extend AutoPenBench along with the research community by making it available under https://github.com/lucagioacchini/auto-pen-bench.

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.

Optimizing GPU kernels is critical for efficient modern machine learning systems yet remains challenging due to the complex interplay of design factors and rapid hardware evolution. Existing automated approaches typically treat Large Language Models (LLMs) merely as stochastic code generators within heuristic-guided evolutionary loops. These methods often struggle with complex kernels requiring coordinated, multi-step structural transformations, as they lack explicit planning capabilities and frequently discard promising strategies due to inefficient or incorrect intermediate implementations. To address this, we propose Search via Co-Evolving World Model and build K-Search based on this method. By replacing static search heuristics with a co-evolving world model, our framework leverages LLMs' prior domain knowledge to guide the search, actively exploring the optimization space. This approach explicitly decouples high-level algorithmic planning from low-level program instantiation, enabling the system to navigate non-monotonic optimization paths while remaining resilient to temporary implementation defects. We evaluate K-Search on diverse, complex kernels from FlashInfer, including GQA, MLA, and MoE kernels. Our results show that K-Search significantly outperforms state-of-the-art evolutionary search methods, achieving an average 2.10x improvement and up to a 14.3x gain on complex MoE kernels. On the GPUMode TriMul task, K-Search achieves state-of-the-art performance on H100, reaching 1030us and surpassing both prior evolution and human-designed solutions.

Optimizing complex systems, ranging from LLM prompts to multi-turn agents, traditionally requires labor-intensive manual iteration. We formalize this challenge as a stochastic generative optimization problem where a generative language model acts as the optimizer, guided by numerical rewards and text feedback to discover the best system. We introduce Prioritized Optimization with Local Contextual Aggregation (POLCA), a scalable framework designed to handle stochasticity in optimization -- such as noisy feedback, sampling minibatches, and stochastic system behaviors -- while effectively managing the unconstrained expansion of solution space. POLCA maintains a priority queue to manage the exploration-exploitation tradeoff, systematically tracking candidate solutions and their evaluation histories. To enhance efficiency, we integrate an varepsilon-Net mechanism to maintain parameter diversity and an LLM Summarizer to perform meta-learning across historical trials. We theoretically prove that POLCA converges to near-optimal candidate solutions under stochasticity. We evaluate our framework on diverse benchmarks, including τ-bench, HotpotQA (agent optimization), VeriBench (code translation) and KernelBench (CUDA kernel generation). Experimental results demonstrate that POLCA achieves robust, sample and time-efficient performance, consistently outperforming state-of-the-art algorithms in both deterministic and stochastic problems. The codebase for this work is publicly available at https://github.com/rlx-lab/POLCA.

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.

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.

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.

Large Language Models (LLMs) have achieved remarkable success across diverse tasks, yet they remain vulnerable to adversarial attacks, notably the well-known jailbreak attack. In particular, the Greedy Coordinate Gradient (GCG) attack has demonstrated efficacy in exploiting this vulnerability by optimizing adversarial prompts through a combination of gradient heuristics and greedy search. However, the efficiency of this attack has become a bottleneck in the attacking process. To mitigate this limitation, in this paper we rethink the generation of the adversarial prompts through an optimization lens, aiming to stabilize the optimization process and harness more heuristic insights from previous optimization iterations. Specifically, we propose the Momentum Accelerated GCG (MAC) attack, which integrates a momentum term into the gradient heuristic to boost and stabilize the random search for tokens in adversarial prompts. Experimental results showcase the notable enhancement achieved by MAC over baselines in terms of attack success rate and optimization efficiency. Moreover, we demonstrate that MAC can still exhibit superior performance for transfer attacks and models under defense mechanisms. Our code is available at https://github.com/weizeming/momentum-attack-llm.

While prior red-teaming efforts have focused on eliciting harmful text outputs from large language models (LLMs), such approaches fail to capture agent-specific vulnerabilities that emerge through multi-step tool execution, particularly in rapidly growing ecosystems such as the Model Context Protocol (MCP). To address this gap, we propose a trajectory-aware evolutionary search method, T-MAP, which leverages execution trajectories to guide the discovery of adversarial prompts. Our approach enables the automatic generation of attacks that not only bypass safety guardrails but also reliably realize harmful objectives through actual tool interactions. Empirical evaluations across diverse MCP environments demonstrate that T-MAP substantially outperforms baselines in attack realization rate (ARR) and remains effective against frontier models, including GPT-5.2, Gemini-3-Pro, Qwen3.5, and GLM-5, thereby revealing previously underexplored vulnerabilities in autonomous LLM agents.

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.

The widespread reliance on open-source software dramatically increases the risk of vulnerability exploitation, underscoring the need for effective and scalable vulnerability detection (VD). Existing VD techniques, whether traditional machine learning-based or LLM-based approaches like prompt engineering, supervised fine-tuning, or off-policy preference optimization, remain fundamentally limited in their ability to perform context-aware analysis: They depend on fixed inputs or static preference datasets, cannot adaptively explore repository-level dependencies, and are constrained by function-level benchmarks that overlook critical vulnerability context. This paper introduces Vulnerability-Adaptive Policy Optimization (VULPO), an on-policy LLM reinforcement learning framework for context-aware VD. To support training and evaluation, we first construct ContextVul, a new dataset that augments high-quality function-level samples with lightweight method to extract repository-level context information. We then design multi-dimensional reward structuring that jointly captures prediction correctness, vulnerability localization accuracy, and the semantic relevance of vulnerability analysis, thereby guiding the model toward comprehensive contextual reasoning. To address the asymmetric difficulty of different vulnerability cases and mitigate reward hacking, VULPO incorporates label-level and sample-level difficulty-adaptive reward scaling, encouraging the model to explore challenging cases while maintaining balanced reward distribution. Extensive experiments demonstrate the superiority of our VULPO framework in context-aware VD: Our VULPO-4B substantially outperforms existing VD baselines based on prompt engineering and off-policy optimization, improving F1 by 85% over Qwen3-4B and achieving performance comparable to a 150x larger-scale model, DeepSeek-R1-0528.

As agentic AI systems become increasingly capable of generating and optimizing GPU kernels, progress is constrained by benchmarks that reward speedup over software baselines rather than proximity to hardware-efficient execution. We present SOL-ExecBench, a benchmark of 235 CUDA kernel optimization problems extracted from 124 production and emerging AI models spanning language, diffusion, vision, audio, video, and hybrid architectures, targeting NVIDIA Blackwell GPUs. The benchmark covers forward and backward workloads across BF16, FP8, and NVFP4, including kernels whose best performance is expected to rely on Blackwell-specific capabilities. Unlike prior benchmarks that evaluate kernels primarily relative to software implementations, SOL-ExecBench measures performance against analytically derived Speed-of-Light (SOL) bounds computed by SOLAR, our pipeline for deriving hardware-grounded SOL bounds, yielding a fixed target for hardware-efficient optimization. We report a SOL Score that quantifies how much of the gap between a release-defined scoring baseline and the hardware SOL bound a candidate kernel closes. To support robust evaluation of agentic optimizers, we additionally provide a sandboxed harness with GPU clock locking, L2 cache clearing, isolated subprocess execution, and static analysis based checks against common reward-hacking strategies. SOL-ExecBench reframes GPU kernel benchmarking from beating a mutable software baseline to closing the remaining gap to hardware Speed-of-Light.

Penetration testing, a crucial industrial practice for ensuring system security, has traditionally resisted automation due to the extensive expertise required by human professionals. Large Language Models (LLMs) have shown significant advancements in various domains, and their emergent abilities suggest their potential to revolutionize industries. In this research, we evaluate the performance of LLMs on real-world penetration testing tasks using a robust benchmark created from test machines with platforms. Our findings reveal that while LLMs demonstrate proficiency in specific sub-tasks within the penetration testing process, such as using testing tools, interpreting outputs, and proposing subsequent actions, they also encounter difficulties maintaining an integrated understanding of the overall testing scenario. In response to these insights, we introduce PentestGPT, an LLM-empowered automatic penetration testing tool that leverages the abundant domain knowledge inherent in LLMs. PentestGPT is meticulously designed with three self-interacting modules, each addressing individual sub-tasks of penetration testing, to mitigate the challenges related to context loss. Our evaluation shows that PentestGPT not only outperforms LLMs with a task-completion increase of 228.6\% compared to the \gptthree model among the benchmark targets but also proves effective in tackling real-world penetration testing challenges. Having been open-sourced on GitHub, PentestGPT has garnered over 4,700 stars and fostered active community engagement, attesting to its value and impact in both the academic and industrial spheres.

Global optimization of expensive, derivative-free black-box functions demands extreme sample efficiency and decision interpretability. While Large Language Models (LLMs) have shown broad capabilities, even state-of-the-art models remain limited in solving continuous black-box optimization tasks and struggle to maintain exploration-exploitation balance. We introduce GPTOpt, an optimization method that equips LLMs with continuous black-box optimization capabilities by fine-tuning Llama 3.1 8B on structured Bayesian optimization (BO) data, including surrogate model information. This provides an explainable framework calibrated to produce surrogate model outputs comparable to a Gaussian process, while keeping the advantages of flexible LLM-based optimization. On a variety of black-box optimization benchmarks, our model shows favorable performance compared to traditional optimizers and transformer-based alternatives, while providing important context and insight into the model's decisions.

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) 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.

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

In recent years, fueled by the rapid advancement of diffusion models, text-to-video (T2V) generation models have achieved remarkable progress, with notable examples including Pika, Luma, Kling, and Open-Sora. Although these models exhibit impressive generative capabilities, they also expose significant security risks due to their vulnerability to jailbreak attacks, where the models are manipulated to produce unsafe content such as pornography, violence, or discrimination. Existing works such as T2VSafetyBench provide preliminary benchmarks for safety evaluation, but lack systematic methods for thoroughly exploring model vulnerabilities. To address this gap, we are the first to formalize the T2V jailbreak attack as a discrete optimization problem and propose a joint objective-based optimization framework, called T2V-OptJail. This framework consists of two key optimization goals: bypassing the built-in safety filtering mechanisms to increase the attack success rate, preserving semantic consistency between the adversarial prompt and the unsafe input prompt, as well as between the generated video and the unsafe input prompt, to enhance content controllability. In addition, we introduce an iterative optimization strategy guided by prompt variants, where multiple semantically equivalent candidates are generated in each round, and their scores are aggregated to robustly guide the search toward optimal adversarial prompts. We conduct large-scale experiments on several T2V models, covering both open-source models and real commercial closed-source models. The experimental results show that the proposed method improves 11.4% and 10.0% over the existing state-of-the-art method in terms of attack success rate assessed by GPT-4, attack success rate assessed by human accessors, respectively, verifying the significant advantages of the method in terms of attack effectiveness and content control.

The emergence of large-scale Mixture of Experts (MoE) models has marked a significant advancement in artificial intelligence, offering enhanced model capacity and computational efficiency through conditional computation. However, the deployment and inference of these models present substantial challenges in terms of computational resources, latency, and energy efficiency. This comprehensive survey systematically analyzes the current landscape of inference optimization techniques for MoE models across the entire system stack. We first establish a taxonomical framework that categorizes optimization approaches into model-level, system-level, and hardware-level optimizations. At the model level, we examine architectural innovations including efficient expert design, attention mechanisms, various compression techniques such as pruning, quantization, and knowledge distillation, as well as algorithm improvement including dynamic routing strategies and expert merging methods. At the system level, we investigate distributed computing approaches, load balancing mechanisms, and efficient scheduling algorithms that enable scalable deployment. Furthermore, we delve into hardware-specific optimizations and co-design strategies that maximize throughput and energy efficiency. This survey not only provides a structured overview of existing solutions but also identifies key challenges and promising research directions in MoE inference optimization. Our comprehensive analysis serves as a valuable resource for researchers and practitioners working on large-scale deployment of MoE models in resource-constrained environments. To facilitate ongoing updates and the sharing of cutting-edge advances in MoE inference optimization research, we have established a repository accessible at https://github.com/MoE-Inf/awesome-moe-inference/.

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

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.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

The field of software security testing, more specifically penetration testing, is an activity that requires high levels of expertise and involves many manual testing and analysis steps. This paper explores the potential usage of large-language models, such as GPT3.5, to augment penetration testers with AI sparring partners. We explore the feasibility of supplementing penetration testers with AI models for two distinct use cases: high-level task planning for security testing assignments and low-level vulnerability hunting within a vulnerable virtual machine. For the latter, we implemented a closed-feedback loop between LLM-generated low-level actions with a vulnerable virtual machine (connected through SSH) and allowed the LLM to analyze the machine state for vulnerabilities and suggest concrete attack vectors which were automatically executed within the virtual machine. We discuss promising initial results, detail avenues for improvement, and close deliberating on the ethics of providing AI-based sparring partners.

Federated optimization, an emerging paradigm which finds wide real-world applications such as federated learning, enables multiple clients (e.g., edge devices) to collaboratively optimize a global function. The clients do not share their local datasets and typically only share their local gradients. However, the gradient information is not available in many applications of federated optimization, which hence gives rise to the paradigm of federated zeroth-order optimization (ZOO). Existing federated ZOO algorithms suffer from the limitations of query and communication inefficiency, which can be attributed to (a) their reliance on a substantial number of function queries for gradient estimation and (b) the significant disparity between their realized local updates and the intended global updates. To this end, we (a) introduce trajectory-informed gradient surrogates which is able to use the history of function queries during optimization for accurate and query-efficient gradient estimation, and (b) develop the technique of adaptive gradient correction using these gradient surrogates to mitigate the aforementioned disparity. Based on these, we propose the federated zeroth-order optimization using trajectory-informed surrogate gradients (FZooS) algorithm for query- and communication-efficient federated ZOO. Our FZooS achieves theoretical improvements over the existing approaches, which is supported by our real-world experiments such as federated black-box adversarial attack and federated non-differentiable metric optimization.

Large Language Model (LLM) agents are increasingly deployed in environments that generate massive, dynamic contexts. However, a critical bottleneck remains: while agents have access to this context, their static prompts lack the mechanisms to manage it effectively, leading to recurring Corrective and Enhancement failures. To address this capability gap, we introduce SCOPE (Self-evolving Context Optimization via Prompt Evolution). SCOPE frames context management as an online optimization problem, synthesizing guidelines from execution traces to automatically evolve the agent's prompt. We propose a Dual-Stream mechanism that balances tactical specificity (resolving immediate errors) with strategic generality (evolving long-term principles). Furthermore, we introduce Perspective-Driven Exploration to maximize strategy coverage, increasing the likelihood that the agent has the correct strategy for any given task. Experiments on the HLE benchmark show that SCOPE improves task success rates from 14.23\% to 38.64\% without human intervention. We make our code publicly available at https://github.com/JarvisPei/SCOPE.

Large Language Models (LLMs) enable a new ecosystem with many downstream applications, called LLM applications, with different natural language processing tasks. The functionality and performance of an LLM application highly depend on its system prompt, which instructs the backend LLM on what task to perform. Therefore, an LLM application developer often keeps a system prompt confidential to protect its intellectual property. As a result, a natural attack, called prompt leaking, is to steal the system prompt from an LLM application, which compromises the developer's intellectual property. Existing prompt leaking attacks primarily rely on manually crafted queries, and thus achieve limited effectiveness. In this paper, we design a novel, closed-box prompt leaking attack framework, called PLeak, to optimize an adversarial query such that when the attacker sends it to a target LLM application, its response reveals its own system prompt. We formulate finding such an adversarial query as an optimization problem and solve it with a gradient-based method approximately. Our key idea is to break down the optimization goal by optimizing adversary queries for system prompts incrementally, i.e., starting from the first few tokens of each system prompt step by step until the entire length of the system prompt. We evaluate PLeak in both offline settings and for real-world LLM applications, e.g., those on Poe, a popular platform hosting such applications. Our results show that PLeak can effectively leak system prompts and significantly outperforms not only baselines that manually curate queries but also baselines with optimized queries that are modified and adapted from existing jailbreaking attacks. We responsibly reported the issues to Poe and are still waiting for their response. Our implementation is available at this repository: https://github.com/BHui97/PLeak.

Generating high-performance CUDA kernels remains challenging due to the need to navigate a combinatorial space of low-level transformations under noisy and expensive hardware feedback. Although large language models can synthesize functionally correct CUDA code, achieving competitive performance requires systematic exploration and verification of optimization choices. We present OptiML, an end-to-end framework that maps either natural-language intent or input CUDA code to performance-optimized CUDA kernels by formulating kernel optimization as search under verification. OptiML consists of two decoupled stages. When the input is natural language, a Mixture-of-Thoughts generator (OptiML-G) acts as a proposal policy over kernel implementation strategies, producing an initial executable program. A search-based optimizer (OptiML-X) then refines either synthesized or user-provided kernels using Monte Carlo Tree Search over LLM-driven edits, guided by a hardware-aware reward derived from profiler feedback. Each candidate transformation is compiled, verified, and profiled with Nsight Compute, and evaluated by a composite objective that combines runtime with hardware bottleneck proxies and guardrails against regressions. We evaluate OptiML in both synthesis-and-optimize and optimization-only settings on a diverse suite of CUDA kernels. Results show that OptiML consistently discovers verified performance improvements over strong LLM baselines and produces interpretable optimization trajectories grounded in profiler evidence.

In this paper, we introduce a black-box prompt optimization method that uses an attacker LLM agent to uncover higher levels of memorization in a victim agent, compared to what is revealed by prompting the target model with the training data directly, which is the dominant approach of quantifying memorization in LLMs. We use an iterative rejection-sampling optimization process to find instruction-based prompts with two main characteristics: (1) minimal overlap with the training data to avoid presenting the solution directly to the model, and (2) maximal overlap between the victim model's output and the training data, aiming to induce the victim to spit out training data. We observe that our instruction-based prompts generate outputs with 23.7% higher overlap with training data compared to the baseline prefix-suffix measurements. Our findings show that (1) instruction-tuned models can expose pre-training data as much as their base-models, if not more so, (2) contexts other than the original training data can lead to leakage, and (3) using instructions proposed by other LLMs can open a new avenue of automated attacks that we should further study and explore. The code can be found at https://github.com/Alymostafa/Instruction_based_attack .

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

We propose a new variant of AMSGrad, a popular adaptive gradient based optimization algorithm widely used for training deep neural networks. Our algorithm adds prior knowledge about the sequence of consecutive mini-batch gradients and leverages its underlying structure making the gradients sequentially predictable. By exploiting the predictability and ideas from optimistic online learning, the proposed algorithm can accelerate the convergence and increase sample efficiency. After establishing a tighter upper bound under some convexity conditions on the regret, we offer a complimentary view of our algorithm which generalizes the offline and stochastic version of nonconvex optimization. In the nonconvex case, we establish a non-asymptotic convergence bound independently of the initialization. We illustrate the practical speedup on several deep learning models via numerical experiments.

This paper presents a novel approach, named the Group Marching Tree (GMT*) algorithm, to planning on GPUs at rates amenable to application within control loops, allowing planning in real-world settings via repeated computation of near-optimal plans. GMT*, like the Fast Marching Tree (FMT) algorithm, explores the state space with a "lazy" dynamic programming recursion on a set of samples to grow a tree of near-optimal paths. GMT*, however, alters the approach of FMT with approximate dynamic programming by expanding, in parallel, the group of all active samples with cost below an increasing threshold, rather than only the minimum cost sample. This group approximation enables low-level parallelism over the sample set and removes the need for sequential data structures, while the "lazy" collision checking limits thread divergence---all contributing to a very efficient GPU implementation. While this approach incurs some suboptimality, we prove that GMT* remains asymptotically optimal up to a constant multiplicative factor. We show solutions for complex planning problems under differential constraints can be found in ~10 ms on a desktop GPU and ~30 ms on an embedded GPU, representing a significant speed up over the state of the art, with only small losses in performance. Finally, we present a scenario demonstrating the efficacy of planning within the control loop (~100 Hz) towards operating in dynamic, uncertain settings.

We describe an iterative procedure for optimizing policies, with guaranteed monotonic improvement. By making several approximations to the theoretically-justified procedure, we develop a practical algorithm, called Trust Region Policy Optimization (TRPO). This algorithm is similar to natural policy gradient methods and is effective for optimizing large nonlinear policies such as neural networks. Our experiments demonstrate its robust performance on a wide variety of tasks: learning simulated robotic swimming, hopping, and walking gaits; and playing Atari games using images of the screen as input. Despite its approximations that deviate from the theory, TRPO tends to give monotonic improvement, with little tuning of hyperparameters.

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}.

How should we evaluate the robustness of language model defenses? Current defenses against jailbreaks and prompt injections (which aim to prevent an attacker from eliciting harmful knowledge or remotely triggering malicious actions, respectively) are typically evaluated either against a static set of harmful attack strings, or against computationally weak optimization methods that were not designed with the defense in mind. We argue that this evaluation process is flawed. Instead, we should evaluate defenses against adaptive attackers who explicitly modify their attack strategy to counter a defense's design while spending considerable resources to optimize their objective. By systematically tuning and scaling general optimization techniques-gradient descent, reinforcement learning, random search, and human-guided exploration-we bypass 12 recent defenses (based on a diverse set of techniques) with attack success rate above 90% for most; importantly, the majority of defenses originally reported near-zero attack success rates. We believe that future defense work must consider stronger attacks, such as the ones we describe, in order to make reliable and convincing claims of robustness.

Tool-augmented LLMs are increasingly deployed as agents that interleave natural-language reasoning with executable Python actions, as in CodeAct-style frameworks. In deployment, these agents rely on runtime state that persists across steps. By contrast, common training pipelines treat agent traces as token sequences, with execution semantics left implicit. This raises a data-centric question: Is state persistence merely an inference-time scaffold, or can models learn to exploit it when training data exposes the corresponding execution semantics? We isolate state persistence as a training-time variable. We introduce Opaque Knapsack, a procedurally generated family of partially observable optimization tasks designed to prevent one-shot solutions. Item attributes and constraints are hidden behind budgeted tool calls, forcing multi-turn control flow and iterative state revision. Holding task instances, prompts, tools, model, and supervision fixed, we generate paired trajectories differing only in whether interpreter state persists across steps or resets after each action. We then fine-tune identical base models (Qwen3-8B) on each trace variant and evaluate all four train-runtime combinations. Our 2x2 cross-evaluation shows that execution semantics primarily affect how agents reach solutions, not whether they do: solution quality is statistically indistinguishable across conditions, but token cost and stability differ substantially. A persistent-trained model in a stateless runtime triggers missing-variable errors in roughly 80% of episodes; a stateless-trained model in a persistent runtime redundantly re-derives retained state, using roughly 3.5x more tokens. Interpreter persistence should be treated as a first-class semantic of agent traces. Aligning fine-tuning data with deployment runtimes improves efficiency and reduces brittle train-runtime mismatches.

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances. The dataset is publicly available at https://sites.google.com/usc.edu/distributional-miplib/home.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

Simulation optimization (SO) is frequently challenged by noisy evaluations, high computational costs, and complex, multimodal search landscapes. This paper introduces Tabu-Enhanced Simulation Optimization (TESO), a novel metaheuristic framework integrating adaptive search with memory-based strategies. TESO leverages a short-term Tabu List to prevent cycling and encourage diversification, and a long-term Elite Memory to guide intensification by perturbing high-performing solutions. An aspiration criterion allows overriding tabu restrictions for exceptional candidates. This combination facilitates a dynamic balance between exploration and exploitation in stochastic environments. We demonstrate TESO's effectiveness and reliability using an queue optimization problem, showing improved performance compared to benchmarks and validating the contribution of its memory components. Source code and data are available at: https://github.com/bulentsoykan/TESO.

Large language model (LLM) systems increasingly power everyday AI applications such as chatbots, computer-use assistants, and autonomous robots, where performance often depends on manually well-crafted prompts. LLM-based prompt optimizers reduce that effort by iteratively refining prompts from scored feedback, yet the security of this optimization stage remains underexamined. We present the first systematic analysis of poisoning risks in LLM-based prompt optimization. Using HarmBench, we find systems are substantially more vulnerable to manipulated feedback than to query poisoning alone: feedback-based attacks raise attack success rate (ASR) by up to ΔASR = 0.48. We introduce a simple fake reward attack that requires no access to the reward model and significantly increases vulnerability. We also propose a lightweight highlighting defense that reduces the fake reward ΔASR from 0.23 to 0.07 without degrading utility. These results establish prompt optimization pipelines as a first-class attack surface and motivate stronger safeguards for feedback channels and optimization frameworks.

Developing efficient multi-objective optimization methods to compute the Pareto set of optimal compromises between conflicting objectives remains a key challenge, especially for large-scale and expensive problems. To bridge this gap, we introduce SPREAD, a generative framework based on Denoising Diffusion Probabilistic Models (DDPMs). SPREAD first learns a conditional diffusion process over points sampled from the decision space and then, at each reverse diffusion step, refines candidates via a sampling scheme that uses an adaptive multiple gradient descent-inspired update for fast convergence alongside a Gaussian RBF-based repulsion term for diversity. Empirical results on multi-objective optimization benchmarks, including offline and Bayesian surrogate-based settings, show that SPREAD matches or exceeds leading baselines in efficiency, scalability, and Pareto front coverage.

The efficiency of GPU kernels is central to the progress of modern AI, yet optimizing them remains a difficult and labor-intensive task due to complex interactions between memory hierarchies, thread scheduling, and hardware-specific characteristics. While recent advances in large language models (LLMs) provide new opportunities for automated code generation, existing approaches largely treat LLMs as single-shot generators or naive refinement tools, limiting their effectiveness in navigating the irregular kernel optimization landscape. We introduce an LLM agentic framework for GPU kernel optimization that systematically explores the design space through multi-agent collaboration, grounded instruction, dynamic context management, and strategic search. This framework mimics the workflow of expert engineers, enabling LLMs to reason about hardware trade-offs, incorporate profiling feedback, and refine kernels iteratively. We evaluate our approach on KernelBench, a benchmark for LLM-based kernel optimization, and demonstrate substantial improvements over baseline agents: our system produces correct solutions where baselines often fail, and achieves kernels with up to 16x faster runtime performance. These results highlight the potential of agentic LLM frameworks to advance fully automated, scalable GPU kernel optimization.

Large Language Models (LLMs) have been increasingly used to optimize code efficiency. Evaluating their effectiveness and further suggesting optimization opportunities often rely on high-quality tests to demonstrate the performance bottlenecks presented in the program. However, existing approaches rely on a limited set of hand-curated inputs or LLM-generated uninteresting length-stressing tests, failing to reveal more nuanced optimization opportunities. We present WEDGE, a framework for generating performance-stressing input given the program under test. WEDGE synthesizes explicit performance-characterizing constraints in the form of branch conditions to partition the programs' execution space into performance-specific regions. When integrated with the coverage-guided fuzzer, reaching different regions introduces explicit rewards for test generation to explore inefficient implementations. Our evaluation shows that WEDGE introduces a significant slowdown compared to the tests in CodeContests and those claimed to be optimized by existing approaches. From the utility perspective, integrating our tests substantially improves the existing code optimization approaches that rely on test-driven execution feedback. We release PERFFORGE, the performance tests generated by WEDGE, to benchmark future approaches for efficient code generation at https://github.com/UChiSeclab/perfforge.

A major challenge in training large-scale machine learning models is configuring the training process to maximize model performance, i.e., finding the best training setup from a vast design space. In this work, we unlock a gradient-based approach to this problem. We first introduce an algorithm for efficiently calculating metagradients -- gradients through model training -- at scale. We then introduce a "smooth model training" framework that enables effective optimization using metagradients. With metagradient descent (MGD), we greatly improve on existing dataset selection methods, outperform accuracy-degrading data poisoning attacks by an order of magnitude, and automatically find competitive learning rate schedules.

Vision-language-action (VLA) models have shown strong performance in robotic manipulation, yet their robustness to physically realizable adversarial attacks remains underexplored. Existing studies reveal vulnerabilities through language perturbations and 2D visual attacks, but these attack surfaces are either less representative of real deployment or limited in physical realism. In contrast, adversarial 3D textures pose a more physically plausible and damaging threat, as they are naturally attached to manipulated objects and are easier to deploy in physical environments. Bringing adversarial 3D textures to VLA systems is nevertheless nontrivial. A central obstacle is that standard 3D simulators do not provide a differentiable optimization path from the VLA objective function back to object appearance, making it difficult to optimize through an end-to-end manner. To address this, we introduce Foreground-Background Decoupling (FBD), which enables differentiable texture optimization through dual-renderer alignment while preserving the original simulation environment. To further ensure that the attack remains effective across long-horizon and diverse viewpoints in the physical world, we propose Trajectory-Aware Adversarial Optimization (TAAO), which prioritizes behaviorally critical frames and stabilizes optimization with a vertex-based parameterization. Built on these designs, we present Tex3D, the first framework for end-to-end optimization of 3D adversarial textures directly within the VLA simulation environment. Experiments in both simulation and real-robot settings show that Tex3D significantly degrades VLA performance across multiple manipulation tasks, achieving task failure rates of up to 96.7\%. Our empirical results expose critical vulnerabilities of VLA systems to physically grounded 3D adversarial attacks and highlight the need for robustness-aware training.

Optimization problems over dynamic networks have been extensively studied and widely used in the past decades to formulate numerous real-world problems. However, (1) traditional optimization-based approaches do not scale to large networks, and (2) the design of good heuristics or approximation algorithms often requires significant manual trial-and-error. In this work, we argue that data-driven strategies can automate this process and learn efficient algorithms without compromising optimality. To do so, we present network control problems through the lens of reinforcement learning and propose a graph network-based framework to handle a broad class of problems. Instead of naively computing actions over high-dimensional graph elements, e.g., edges, we propose a bi-level formulation where we (1) specify a desired next state via RL, and (2) solve a convex program to best achieve it, leading to drastically improved scalability and performance. We further highlight a collection of desirable features to system designers, investigate design decisions, and present experiments on real-world control problems showing the utility, scalability, and flexibility of our framework.

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

Aligning AI systems with human preferences typically suffers from the infamous reward hacking problem, where optimization of an imperfect reward model leads to undesired behaviors. In this paper, we investigate reward hacking in offline preference optimization, which aims to improve an initial model using a preference dataset. We identify two types of reward hacking stemming from statistical fluctuations in the dataset: Type I Reward Hacking due to subpar choices appearing more favorable, and Type II Reward Hacking due to decent choices appearing less favorable. We prove that many (mainstream or theoretical) preference optimization methods suffer from both types of reward hacking. To mitigate Type I Reward Hacking, we propose POWER, a new preference optimization method that combines Guiasu's weighted entropy with a robust reward maximization objective. POWER enjoys finite-sample guarantees under general function approximation, competing with the best covered policy in the data. To mitigate Type II Reward Hacking, we analyze the learning dynamics of preference optimization and develop a novel technique that dynamically updates preference labels toward certain "stationary labels", resulting in diminishing gradients for untrustworthy samples. Empirically, POWER with dynamic labels (POWER-DL) consistently outperforms state-of-the-art methods on alignment benchmarks, achieving improvements of up to 13.0 points on AlpacaEval 2.0 and 11.5 points on Arena-Hard over DPO, while also improving or maintaining performance on downstream tasks such as mathematical reasoning. Strong theoretical guarantees and empirical results demonstrate the promise of POWER-DL in mitigating reward hacking.

Realistic and diverse multi-agent driving scenes are crucial for evaluating autonomous vehicles, but safety-critical events which are essential for this task are rare and underrepresented in driving datasets. Data-driven scene generation offers a low-cost alternative by synthesizing complex traffic behaviors from existing driving logs. However, existing models often lack controllability or yield samples that violate physical or social constraints, limiting their usability. We present OMEGA, an optimization-guided, training-free framework that enforces structural consistency and interaction awareness during diffusion-based sampling from a scene generation model. OMEGA re-anchors each reverse diffusion step via constrained optimization, steering the generation towards physically plausible and behaviorally coherent trajectories. Building on this framework, we formulate ego-attacker interactions as a game-theoretic optimization in the distribution space, approximating Nash equilibria to generate realistic, safety-critical adversarial scenarios. Experiments on nuPlan and Waymo show that OMEGA improves generation realism, consistency, and controllability, increasing the ratio of physically and behaviorally valid scenes from 32.35% to 72.27% for free exploration capabilities, and from 11% to 80% for controllability-focused generation. Our approach can also generate 5times more near-collision frames with a time-to-collision under three seconds while maintaining the overall scene realism.

Planning long-horizon robot manipulation requires making discrete decisions about which objects to interact with and continuous decisions about how to interact with them. A robot planner must select grasps, placements, and motions that are feasible and safe. This class of problems falls under Task and Motion Planning (TAMP) and poses significant computational challenges in terms of algorithm runtime and solution quality, particularly when the solution space is highly constrained. To address these challenges, we propose a new bilevel TAMP algorithm that leverages GPU parallelism to efficiently explore thousands of candidate continuous solutions simultaneously. Our approach uses GPU parallelism to sample an initial batch of solution seeds for a plan skeleton and to apply differentiable optimization on this batch to satisfy plan constraints and minimize solution cost with respect to soft objectives. We demonstrate that our algorithm can effectively solve highly constrained problems with non-convex constraints in just seconds, substantially outperforming serial TAMP approaches, and validate our approach on multiple real-world robots. Project website and code: https://cutamp.github.io

The performance of modern AI systems is fundamentally constrained by the quality of their underlying kernels, which translate high-level algorithmic semantics into low-level hardware operations. Achieving near-optimal kernels requires expert-level understanding of hardware architectures and programming models, making kernel engineering a critical but notoriously time-consuming and non-scalable process. Recent advances in large language models (LLMs) and LLM-based agents have opened new possibilities for automating kernel generation and optimization. LLMs are well-suited to compress expert-level kernel knowledge that is difficult to formalize, while agentic systems further enable scalable optimization by casting kernel development as an iterative, feedback-driven loop. Rapid progress has been made in this area. However, the field remains fragmented, lacking a systematic perspective for LLM-driven kernel generation. This survey addresses this gap by providing a structured overview of existing approaches, spanning LLM-based approaches and agentic optimization workflows, and systematically compiling the datasets and benchmarks that underpin learning and evaluation in this domain. Moreover, key open challenges and future research directions are further outlined, aiming to establish a comprehensive reference for the next generation of automated kernel optimization. To keep track of this field, we maintain an open-source GitHub repository at https://github.com/flagos-ai/awesome-LLM-driven-kernel-generation.

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

Large language models, employed as multiple agents that interact and collaborate with each other, have excelled at solving complex tasks. The agents are programmed with prompts that declare their functionality, along with the topologies that orchestrate interactions across agents. Designing prompts and topologies for multi-agent systems (MAS) is inherently complex. To automate the entire design process, we first conduct an in-depth analysis of the design space aiming to understand the factors behind building effective MAS. We reveal that prompts together with topologies play critical roles in enabling more effective MAS design. Based on the insights, we propose Multi-Agent System Search (MASS), a MAS optimization framework that efficiently exploits the complex MAS design space by interleaving its optimization stages, from local to global, from prompts to topologies, over three stages: 1) block-level (local) prompt optimization; 2) workflow topology optimization; 3) workflow-level (global) prompt optimization, where each stage is conditioned on the iteratively optimized prompts/topologies from former stages. We show that MASS-optimized multi-agent systems outperform a spectrum of existing alternatives by a substantial margin. Based on the MASS-found systems, we finally propose design principles behind building effective multi-agent systems.

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.

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

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.

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.

The advancement of Large Language Model (LLM)-powered agents has enabled automated task processing through reasoning and tool invocation capabilities. However, existing frameworks often operate under the idealized assumption that tool executions are invariably successful, relying solely on textual descriptions that fail to distinguish precise performance boundaries and cannot adapt to iterative tool updates. This gap introduces uncertainty in planning and execution, particularly in domains like visual content generation (AIGC), where nuanced tool performance significantly impacts outcomes. To address this, we propose PerfGuard, a performance-aware agent framework for visual content generation that systematically models tool performance boundaries and integrates them into task planning and scheduling. Our framework introduces three core mechanisms: (1) Performance-Aware Selection Modeling (PASM), which replaces generic tool descriptions with a multi-dimensional scoring system based on fine-grained performance evaluations; (2) Adaptive Preference Update (APU), which dynamically optimizes tool selection by comparing theoretical rankings with actual execution rankings; and (3) Capability-Aligned Planning Optimization (CAPO), which guides the planner to generate subtasks aligned with performance-aware strategies. Experimental comparisons against state-of-the-art methods demonstrate PerfGuard's advantages in tool selection accuracy, execution reliability, and alignment with user intent, validating its robustness and practical utility for complex AIGC tasks. The project code is available at https://github.com/FelixChan9527/PerfGuard.

Existing key-value (KV) cache compression methods typically rely on heuristics, such as uniform cache allocation across layers or static eviction policies, however, they ignore the critical interplays among layer-specific feature patterns and task performance, which can lead to degraded generalization. In this paper, we propose EvolKV, an adaptive framework for layer-wise, task-driven KV cache compression that jointly optimizes the memory efficiency and task performance. By reformulating cache allocation as a multi-objective optimization problem, EvolKV leverages evolutionary search to dynamically configure layer budgets while directly maximizing downstream performance. Extensive experiments on 11 tasks demonstrate that our approach outperforms all baseline methods across a wide range of KV cache budgets on long-context tasks and surpasses heuristic baselines by up to 7 percentage points on GSM8K. Notably, EvolKV achieves superior performance over the full KV cache setting on code completion while utilizing only 1.5% of the original budget, suggesting the untapped potential in learned compression strategies for KV cache budget allocation.

Finding the optimal pass sequence of compilation can lead to a significant reduction in program size and/or improvement in program efficiency. Prior works on compilation pass ordering have two major drawbacks. They either require an excessive budget (in terms of compilation steps) at compile time or fail to generalize to unseen programs. In this paper, for code-size reduction tasks, we propose a novel pipeline to find program-dependent pass sequences within 45 compilation calls. It first identifies a coreset of 50 pass sequences via greedy optimization of a submodular function, and then learns a policy with Graph Neural Network (GNN) to pick the optimal sequence by predicting the normalized values of the pass sequences in the coreset. Despite its simplicity, our pipeline outperforms the default -Oz flag by an average of 4.7% over a large collection (4683) of unseen code repositories from diverse domains across 14 datasets. In comparison, previous approaches like reinforcement learning on the raw pass sequence space may take days to train due to sparse reward, and may not generalize well in held-out ones from different domains. Our results demonstrate that existing human-designed compiler flags can be improved with a simple yet effective technique that transforms the raw action space into a small one with denser rewards.

GPU kernels are critical for ML performance but difficult to optimize across diverse accelerators. We present KForge, a platform-agnostic framework built on two collaborative LLM-based agents: a generation agent that produces and iteratively refines programs through compilation and correctness feedback, and a performance analysis agent that interprets profiling data to guide optimization. This agent-based architecture requires only a single-shot example to target new platforms. We make three key contributions: (1) introducing an iterative refinement system where the generation agent and performance analysis agent collaborate through functional and optimization passes, interpreting diverse profiling data (from programmatic APIs to GUI-based tools) to generate actionable recommendations that guide program synthesis for arbitrary accelerators; (2) demonstrating that the generation agent effectively leverages cross-platform knowledge transfer, where a reference implementation from one architecture substantially improves generation quality for different hardware targets; and (3) validating the platform-agnostic nature of our approach by demonstrating effective program synthesis across fundamentally different parallel computing platforms: NVIDIA CUDA and Apple Metal.

We introduce a novel framework that transforms the resource-intensive (adversarial) prompt optimization problem into an efficient, amortized inference task. Our core insight is that pretrained, non-autoregressive generative LLMs, such as Diffusion LLMs, which model the joint distribution over prompt-response pairs, can serve as powerful surrogates for prompt search. This approach enables the direct conditional generation of prompts, effectively replacing costly, per-instance discrete optimization with a small number of parallelizable samples. We provide a probabilistic analysis demonstrating that under mild fidelity assumptions, only a few conditional samples are required to recover high-reward (harmful) prompts. Empirically, we find that the generated prompts are low-perplexity, diverse jailbreaks that exhibit strong transferability to a wide range of black-box target models, including robustly trained and proprietary LLMs. Beyond adversarial prompting, our framework opens new directions for red teaming, automated prompt optimization, and leveraging emerging Flow- and Diffusion-based LLMs.

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.

Despite the promise of Multi-Task Learning in leveraging complementary knowledge across tasks, existing multi-task optimization (MTO) techniques remain fixated on resolving conflicts via optimizer-centric loss scaling and gradient manipulation strategies, yet fail to deliver consistent gains. In this paper, we argue that the shared representation space, where task interactions naturally occur, offers rich information and potential for operations complementary to existing optimizers, especially for facilitating the inter-task complementarity, which is rarely explored in MTO. This intuition leads to Rep-MTL, which exploits the representation-level task saliency to quantify interactions between task-specific optimization and shared representation learning. By steering these saliencies through entropy-based penalization and sample-wise cross-task alignment, Rep-MTL aims to mitigate negative transfer by maintaining the effective training of individual tasks instead pure conflict-solving, while explicitly promoting complementary information sharing. Experiments are conducted on four challenging MTL benchmarks covering both task-shift and domain-shift scenarios. The results show that Rep-MTL, even paired with the basic equal weighting policy, achieves competitive performance gains with favorable efficiency. Beyond standard performance metrics, Power Law exponent analysis demonstrates Rep-MTL's efficacy in balancing task-specific learning and cross-task sharing. The project page is available at HERE.

We focus on the problem of black-box adversarial attacks, where the aim is to generate adversarial examples for deep learning models solely based on information limited to output label~(hard label) to a queried data input. We propose a simple and efficient Bayesian Optimization~(BO) based approach for developing black-box adversarial attacks. Issues with BO's performance in high dimensions are avoided by searching for adversarial examples in a structured low-dimensional subspace. We demonstrate the efficacy of our proposed attack method by evaluating both ell_infty and ell_2 norm constrained untargeted and targeted hard label black-box attacks on three standard datasets - MNIST, CIFAR-10 and ImageNet. Our proposed approach consistently achieves 2x to 10x higher attack success rate while requiring 10x to 20x fewer queries compared to the current state-of-the-art black-box adversarial attacks.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

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

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration complexity, and propose a generic approach that, based on optimal first-order methods, allows to obtain in a black-box fashion new zeroth-order algorithms for non-smooth convex optimization problems. Our approach not only leads to optimal oracle complexity, but also allows to obtain iteration complexity similar to first-order methods, which, in turn, allows to exploit parallel computations to accelerate the convergence of our algorithms. We also elaborate on extensions for stochastic optimization problems, saddle-point problems, and distributed optimization.

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems-a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agent frameworks against established human-designed algorithms, revealing key strengths and limitations of current approaches and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

Optimizing GPU kernels manually is a challenging and time-consuming task. With the rapid development of LLMs, automated GPU kernel optimization is gradually becoming a tangible reality. However, current LLM-driven automated optimization methods narrowly focus on machine learning applications, such as PyTorch operator optimization, while overlooking broader domains like sparse matrix operations in scientific computing. Extending to these broader applications brings new challenges for the benchmark and algorithm. Therefore, developing a general-purpose automated kernel optimization method becomes our primary focus. In this paper, we address the absence of systematic evaluation for multi-scenario settings by introducing MSKernelBench, which spans multiple scenarios, including fundamental algebraic operations, common LLM kernels, sparse matrix operators, and scientific computing routines, each supporting both FP32 and BF16 precision. Building on this benchmark, we introduce CUDAMaster, a multi-agent, hardware-aware system for kernel optimization that leverages profiling information and automatically constructs the full compilation and execution toolchain. Experimental results demonstrate that CUDAMaster achieves significant speedups across most operators, outperforming Astra by about 35%. In several cases, its performance matches or surpasses that of highly optimized, closed-source libraries such as cuBLAS. A demo showcasing the original and optimized code for each operator is available at https://hanyx2021.github.io/MSKernelBenchDemo/.

Prompt optimization improves language models without updating their weights by searching for a better system prompt, but its effectiveness varies widely across tasks. We study what makes a task amenable to prompt optimization. We show that the reward variance across different system prompts can be decomposed into two components: variance among responses, which captures generation stochasticity, and variance among system prompts, which captures differences in system prompt quality. Prompt optimization succeeds when variance among system prompts is sufficiently large, but fails when variance among responses dominates the variance of the system prompts. Surprisingly, we further show that scaling to more user prompts can hurt optimization by reducing variance among system prompts, especially on heterogeneous datasets where different user prompts favor different system prompts. Motivated by this insight, we propose p1, a simple user prompt filtering method that selects a small subset of user prompts with high variance across candidate system prompts. This subset of user prompts allows one to distinguish a good system prompt from a bad one, making system optimization easier. Experiments on reasoning benchmarks show that p1 substantially improves prompt optimization over training on the full dataset and outperforms strong baselines such as GEPA. Notably, training on only two prompts from AIME 24 yields a system prompt that generalizes well to other reasoning benchmarks.

Efficiently exploring complex loss landscapes is key to the performance of deep neural networks. While momentum-based optimizers are widely used in state-of-the-art setups, classical momentum can still struggle with large, misaligned gradients, leading to oscillations. To address this, we propose Torque-Aware Momentum (TAM), which introduces a damping factor based on the angle between the new gradients and previous momentum, stabilizing the update direction during training. Empirical results show that TAM, which can be combined with both SGD and Adam, enhances exploration, handles distribution shifts more effectively, and improves generalization performance across various tasks, including image classification and large language model fine-tuning, when compared to classical momentum-based optimizers.

Automatic program repair seeks to generate correct code from buggy programs, with most approaches searching the correct program in a discrete, symbolic space of source code tokens. This symbolic search is fundamentally limited by its inability to directly reason about program behavior. We introduce Gradient-Based Program Repair (GBPR), a new paradigm that reframes program repair as continuous optimization in a differentiable numerical program space. Our core insight is to compile symbolic programs into differentiable numerical representations, enabling search in the numerical program space directly guided by program behavior. To evaluate GBPR, we present RaspBugs, a new benchmark of 1,466 buggy symbolic RASP programs and their respective numerical representations. Our experiments demonstrate that GBPR can effectively repair buggy symbolic programs by gradient-based optimization in the numerical program space, with convincing repair trajectories. To our knowledge, we are the first to state program repair as continuous optimization in a numerical program space. Our work establishes a new direction for program repair research, bridging two rich worlds: continuous optimization and program behavior.

Modern code completion engines, powered by large language models (LLMs), assist millions of developers with their strong capabilities to generate functionally correct code. Due to this popularity, it is crucial to investigate the security implications of relying on LLM-based code completion. In this work, we demonstrate that state-of-the-art black-box LLM-based code completion engines can be stealthily biased by adversaries to significantly increase their rate of insecure code generation. We present the first attack, named INSEC, that achieves this goal. INSEC works by injecting an attack string as a short comment in the completion input. The attack string is crafted through a query-based optimization procedure starting from a set of carefully designed initialization schemes. We demonstrate INSEC's broad applicability and effectiveness by evaluating it on various state-of-the-art open-source models and black-box commercial services (e.g., OpenAI API and GitHub Copilot). On a diverse set of security-critical test cases, covering 16 CWEs across 5 programming languages, INSEC increases the rate of generated insecure code by more than 50%, while maintaining the functional correctness of generated code. We consider INSEC practical -- it requires low resources and costs less than 10 US dollars to develop on commodity hardware. Moreover, we showcase the attack's real-world deployability, by developing an IDE plug-in that stealthily injects INSEC into the GitHub Copilot extension.

Modern machine learning (ML) has grown into a tightly coupled, full-stack ecosystem that combines hardware, software, network, and applications. Many users rely on cloud providers for elastic, isolated, and cost-efficient resources. Unfortunately, these platforms as a service use virtualization, which means operators have little insight into the users' workloads. This hinders resource optimizations by the operator, which is essential to ensure cost efficiency and minimize execution time. In this paper, we argue that workload knowledge is unnecessary for system-level optimization. We propose Reveal, which takes a hardware-centric approach, relying only on hardware signals - fully accessible by operators. Using low-level signals collected from the system, Reveal detects anomalies through an unsupervised learning pipeline. The pipeline is developed by analyzing over 30 popular ML models on various hardware platforms, ensuring adaptability to emerging workloads and unknown deployment patterns. Using Reveal, we successfully identified both network and system configuration issues, accelerating the DeepSeek model by 5.97%.

The vast majority of modern deep learning models are trained with momentum-based first-order optimizers. The momentum term governs the optimizer's memory by determining how much each past gradient contributes to the current convergence direction. Fundamental momentum methods, such as Nesterov Accelerated Gradient and the Heavy Ball method, as well as more recent optimizers such as AdamW and Lion, all rely on the momentum coefficient that is customarily set to β= 0.9 and kept constant during model training, a strategy widely used by practitioners, yet suboptimal. In this paper, we introduce an adaptive memory mechanism that replaces constant momentum with a dynamic momentum coefficient that is adjusted online during optimization. We derive our method by approximating the objective function using two planes: one derived from the gradient at the current iterate and the other obtained from the accumulated memory of the past gradients. To the best of our knowledge, such a proximal framework was never used for momentum-based optimization. Our proposed approach is novel, extremely simple to use, and does not rely on extra assumptions or hyperparameter tuning. We implement adaptive memory variants of both SGD and AdamW across a wide range of learning tasks, from simple convex problems to large-scale deep learning scenarios, demonstrating that our approach can outperform standard SGD and Adam with hand-tuned momentum coefficients. Finally, our work opens doors for new ways of inducing adaptivity in optimization.

Information-based data selection for instruction tuning is compelling: maximizing the log-determinant of the Fisher information yields a monotone submodular objective, enabling greedy algorithms to achieve a (1-1/e) approximation under a cardinality budget. In practice, however, we identify alleviating gradient conflicts, misalignment between per-sample gradients, is a key factor that slows down the decay of marginal log-determinant information gains, thereby preventing significant loss of information. We formalize this via an varepsilon-decomposition that quantifies the deviation from ideal submodularity as a function of conflict statistics, yielding data-dependent approximation factors that tighten as conflicts diminish. Guided by this analysis, we propose SPICE, a conflict-aware selector that maximizes information while penalizing misalignment, and that supports early stopping and proxy models for efficiency. Empirically, SPICE selects subsets with higher log-determinant information than original criteria, and these informational gains translate into performance improvements: across 8 benchmarks with LLaMA2-7B and Qwen2-7B, SPICE uses only 10% of the data, yet matches or exceeds 6 methods including full-data tuning. This achieves performance improvements with substantially lower training cost.

Large language models have demonstrated strong reasoning capabilities in complex tasks through tool integration, which is typically framed as a Markov Decision Process and optimized with trajectory-level RL algorithms such as GRPO. However, a common class of reasoning tasks, iterative optimization, presents distinct challenges: the agent interacts with the same underlying environment state across turns, and the value of a trajectory is determined by the best turn-level reward rather than cumulative returns. Existing GRPO-based methods cannot perform fine-grained, turn-level optimization in such settings, while black-box optimization methods discard prior knowledge and reasoning capabilities. To address this gap, we propose Turn-Level GRPO (TL-GRPO), a lightweight RL algorithm that performs turn-level group sampling for fine-grained optimization. We evaluate TL-GRPO on analog circuit sizing (ACS), a challenging scientific optimization task requiring multiple simulations and domain expertise. Results show that TL-GRPO outperforms standard GRPO and Bayesian optimization methods across various specifications. Furthermore, our 30B model trained with TL-GRPO achieves state-of-the-art performance on ACS tasks under same simulation budget, demonstrating both strong generalization and practical utility.

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.

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.

We argue that inventory management presents unique opportunities for the reliable application of deep reinforcement learning (DRL). To enable this, we emphasize and test two complementary techniques. The first is Hindsight Differentiable Policy Optimization (HDPO), which uses pathwise gradients from offline counterfactual simulations to directly and efficiently optimize policy performance. Unlike standard policy gradient methods that rely on high-variance score-function estimators, HDPO computes gradients by differentiating through the known system dynamics. Via extensive benchmarking, we show that HDPO recovers near-optimal policies in settings with known or bounded optima, is more robust than variants of the REINFORCE algorithm, and significantly outperforms generalized newsvendor heuristics on problems using real time series data. Our second technique aligns neural policy architectures with the topology of the inventory network. We exploit Graph Neural Networks (GNNs) as a natural inductive bias for encoding supply chain structure, demonstrate that they can represent optimal and near-optimal policies in two theoretical settings, and empirically show that they reduce data requirements across six diverse inventory problems. A key obstacle to progress in this area is the lack of standardized benchmark problems. To address this gap, we open-source a suite of benchmark environments, along with our full codebase, to promote transparency and reproducibility. All resources are available at github.com/MatiasAlvo/Neural_inventory_control.

Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

High quality kernels are critical for reducing training and inference costs of Large Language Models (LLMs), yet they traditionally require significant expertise in hardware architecture and software optimization. While recent advances in LLM-based code generation show promise for complex optimization, existing methods struggle with the vast optimization space due to insufficient hardware domain knowledge, failing to effectively balance exploration and exploitation. We present KernelBand, a novel framework that formulates kernel optimization as a hierarchical multi-armed bandit problem, enabling LLM agents to strategically navigate the optimization space by treating kernel selection and optimization strategy application as sequential decision-making processes. Our approach leverages hardware profiling information to identify promising optimization strategies and employs runtime behavior clustering to reduce exploration overhead across kernel candidates. Extensive experiments on TritonBench demonstrate that KernelBand significantly outperforms state-of-the-art methods, achieving superior performance with fewer tokens while exhibiting consistent improvement without saturation as computational resources increase.

The widespread deployment of LLM-based agents is likely to introduce a critical privacy threat: malicious agents that proactively engage others in multi-turn interactions to extract sensitive information. These dynamic dialogues enable adaptive attack strategies that can cause severe privacy violations, yet their evolving nature makes it difficult to anticipate and discover sophisticated vulnerabilities manually. To tackle this problem, we present a search-based framework that alternates between improving attacker and defender instructions by simulating privacy-critical agent interactions. Each simulation involves three roles: data subject, data sender, and data recipient. While the data subject's behavior is fixed, the attacker (data recipient) attempts to extract sensitive information from the defender (data sender) through persistent and interactive exchanges. To explore this interaction space efficiently, our search algorithm employs LLMs as optimizers, using parallel search with multiple threads and cross-thread propagation to analyze simulation trajectories and iteratively propose new instructions. Through this process, we find that attack strategies escalate from simple direct requests to sophisticated multi-turn tactics such as impersonation and consent forgery, while defenses advance from rule-based constraints to identity-verification state machines. The discovered attacks and defenses transfer across diverse scenarios and backbone models, demonstrating strong practical utility for building privacy-aware agents.

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.

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.

Test-time compute scaling has emerged as a new axis along which to improve model accuracy, where additional computation is used at inference time to allow the model to think longer for more challenging problems. One promising approach for test-time compute scaling is search against a process reward model, where a model generates multiple potential candidates at each step of the search, and these partial trajectories are then scored by a separate reward model in order to guide the search process. The diversity of trajectories in the tree search process affects the accuracy of the search, since increasing diversity promotes more exploration. However, this diversity comes at a cost, as divergent trajectories have less KV sharing, which means they consume more memory and slow down the search process. Previous search methods either do not perform sufficient exploration, or else explore diverse trajectories but have high latency. We address this challenge by proposing Efficient Tree Search (ETS), which promotes KV sharing by pruning redundant trajectories while maintaining necessary diverse trajectories. ETS incorporates a linear programming cost model to promote KV cache sharing by penalizing the number of nodes retained, while incorporating a semantic coverage term into the cost model to ensure that we retain trajectories which are semantically different. We demonstrate how ETS can achieve 1.8times reduction in average KV cache size during the search process, leading to 1.4times increased throughput relative to prior state-of-the-art methods, with minimal accuracy degradation and without requiring any custom kernel implementation. Code is available at: https://github.com/SqueezeAILab/ETS.

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm that brings flow matching into the policy gradient framework. FPO casts policy optimization as maximizing an advantage-weighted ratio computed from the conditional flow matching loss, in a manner compatible with the popular PPO-clip framework. It sidesteps the need for exact likelihood computation while preserving the generative capabilities of flow-based models. Unlike prior approaches for diffusion-based reinforcement learning that bind training to a specific sampling method, FPO is agnostic to the choice of diffusion or flow integration at both training and inference time. We show that FPO can train diffusion-style policies from scratch in a variety of continuous control tasks. We find that flow-based models can capture multimodal action distributions and achieve higher performance than Gaussian policies, particularly in under-conditioned settings.

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

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.

Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is capable of understanding and responding in multiple modalities. However, the advanced capability currently comes with significant system resource demands. To sustainably scale generative AI capabilities to billions of users in the world, inference must be fast and efficient. This paper pinpoints key system design and optimization opportunities by characterizing a family of emerging multi-modal generation models on real systems. Auto-regressive token generation is a critical latency performance bottleneck, typically dominated by GPU idle time. In addition to memory-intensive attention across the generative AI models, linear operations constitute significant inference latency due to the feed forward networks in Transformer-based models. We demonstrate that state-of-the-art optimization levers, spanning from applications to system software and hardware, set a 3.88x better baseline.

Prompt optimization (PO) offers a practical alternative to fine-tuning large language models (LLMs), enabling performance improvements without altering model weights. Existing methods typically rely on advanced, large-scale LLMs like GPT-4 to generate optimized prompts. However, due to limited downward compatibility, verbose, instruction-heavy prompts from advanced LLMs can overwhelm lightweight inference models and degrade response quality. In this work, we rethink prompt optimization through the lens of interpretable design. We first identify a set of model-agnostic prompt quality merits and empirically validate their effectiveness in enhancing prompt and response quality. We then introduce MePO, a merit-guided, lightweight, and locally deployable prompt optimizer trained on our preference dataset built from merit-aligned prompts generated by a lightweight LLM. Unlike prior work, MePO avoids online optimization reliance, reduces cost and privacy concerns, and, by learning clear, interpretable merits, generalizes effectively to both large-scale and lightweight inference models. Experiments demonstrate that MePO achieves better results across diverse tasks and model types, offering a scalable and robust solution for real-world deployment. Our model and dataset are available at: https://github.com/MidiyaZhu/MePO

We surface a new threat to closed-weight Large Language Models (LLMs) that enables an attacker to compute optimization-based prompt injections. Specifically, we characterize how an attacker can leverage the loss-like information returned from the remote fine-tuning interface to guide the search for adversarial prompts. The fine-tuning interface is hosted by an LLM vendor and allows developers to fine-tune LLMs for their tasks, thus providing utility, but also exposes enough information for an attacker to compute adversarial prompts. Through an experimental analysis, we characterize the loss-like values returned by the Gemini fine-tuning API and demonstrate that they provide a useful signal for discrete optimization of adversarial prompts using a greedy search algorithm. Using the PurpleLlama prompt injection benchmark, we demonstrate attack success rates between 65% and 82% on Google's Gemini family of LLMs. These attacks exploit the classic utility-security tradeoff - the fine-tuning interface provides a useful feature for developers but also exposes the LLMs to powerful attacks.

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a mathcal{O}(varepsilon^{-2.5}) sample complexity of this method for finding a global varepsilon-optimal policy. Improving over the previously known mathcal{O}(varepsilon^{-3}) complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to mathcal{mathcal{O} }(varepsilon^{-2}) by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are (i) simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; (ii) computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

Execution-aware LLM agents offer a promising paradigm for learning from tool feedback, but such feedback is often expensive and slow to obtain, making online reinforcement learning (RL) impractical. High-coverage hardware verification exemplifies this challenge due to its reliance on industrial simulators and non-differentiable execution signals. We propose LLM4Cov, an offline agent-learning framework that models verification as memoryless state transitions guided by deterministic evaluators. Building on this formulation, we introduce execution-validated data curation, policy-aware agentic data synthesis, and worst-state-prioritized sampling to enable scalable learning under execution constraints. We further curate a reality-aligned benchmark adapted from an existing verification suite through a revised evaluation protocol. Using the proposed pipeline, a compact 4B-parameter model achieves 69.2% coverage pass rate under agentic evaluation, outperforming its teacher by 5.3% and demonstrating competitive performance against models an order of magnitude larger.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

Penetration testing, an essential component of software security testing, allows organizations to identify and remediate vulnerabilities in their systems, thus bolstering their defense mechanisms against cyberattacks. One recent advancement in the realm of penetration testing is the utilization of Language Models (LLMs). We explore the intersection of LLMs and penetration testing to gain insight into their capabilities and challenges in the context of privilege escalation. We introduce a fully automated privilege-escalation tool designed for evaluating the efficacy of LLMs for (ethical) hacking, executing benchmarks using multiple LLMs, and investigating their respective results. Our results show that GPT-4-turbo is well suited to exploit vulnerabilities (33-83% of vulnerabilities). GPT-3.5-turbo can abuse 16-50% of vulnerabilities, while local models, such as Llama3, can only exploit between 0 and 33% of the vulnerabilities. We analyze the impact of different context sizes, in-context learning, optional high-level guidance mechanisms, and memory management techniques. We discuss challenging areas for LLMs, including maintaining focus during testing, coping with errors, and finally comparing LLMs with human hackers. The current version of the LLM-guided privilege-escalation prototype can be found at https://github.com/ipa-labs/hackingBuddyGPT.

Fuzz testing, or "fuzzing," refers to a widely deployed class of techniques for testing programs by generating a set of inputs for the express purpose of finding bugs and identifying security flaws. Grey-box fuzzing, the most popular fuzzing strategy, combines light program instrumentation with a data driven process to generate new program inputs. In this work, we present a machine learning approach that builds on AFL, the preeminent grey-box fuzzer, by adaptively learning a probability distribution over its mutation operators on a program-specific basis. These operators, which are selected uniformly at random in AFL and mutational fuzzers in general, dictate how new inputs are generated, a core part of the fuzzer's efficacy. Our main contributions are two-fold: First, we show that a sampling distribution over mutation operators estimated from training programs can significantly improve performance of AFL. Second, we introduce a Thompson Sampling, bandit-based optimization approach that fine-tunes the mutator distribution adaptively, during the course of fuzzing an individual program. A set of experiments across complex programs demonstrates that tuning the mutational operator distribution generates sets of inputs that yield significantly higher code coverage and finds more crashes faster and more reliably than both baseline versions of AFL as well as other AFL-based learning approaches.

We introduce RL4CO, an extensive reinforcement learning (RL) for combinatorial optimization (CO) benchmark. RL4CO employs state-of-the-art software libraries as well as best practices in implementation, such as modularity and configuration management, to be efficient and easily modifiable by researchers for adaptations of neural network architecture, environments, and algorithms. Contrary to the existing focus on specific tasks like the traveling salesman problem (TSP) for performance assessment, we underline the importance of scalability and generalization capabilities for diverse optimization tasks. We also systematically benchmark sample efficiency, zero-shot generalization, and adaptability to changes in data distributions of various models. Our experiments show that some recent state-of-the-art methods fall behind their predecessors when evaluated using these new metrics, suggesting the necessity for a more balanced view of the performance of neural CO solvers. We hope RL4CO will encourage the exploration of novel solutions to complex real-world tasks, allowing to compare with existing methods through a standardized interface that decouples the science from the software engineering. We make our library publicly available at https://github.com/kaist-silab/rl4co.

Geometry-aware optimization algorithms, such as Muon, have achieved remarkable success in training deep neural networks (DNNs). These methods leverage the underlying geometry of DNNs by selecting appropriate norms for different layers and updating parameters via norm-constrained linear minimization oracles (LMOs). However, even within a group of layers associated with the same norm, the local curvature can be heterogeneous across layers and vary dynamically over the course of training. For example, recent work shows that sharpness varies substantially across transformer layers and throughout training, yet standard geometry-aware optimizers impose fixed learning rates to layers within the same group, which may be inefficient for DNN training. In this paper, we introduce a noise-adaptive layerwise learning rate scheme on top of geometry-aware optimization algorithms and substantially accelerate DNN training compared to methods that use fixed learning rates within each group. Our method estimates gradient variance in the dual norm induced by the chosen LMO on the fly, and uses it to assign time-varying noise-adaptive layerwise learning rates within each group. We provide a theoretical analysis showing that our algorithm achieves a sharp convergence rate. Empirical results on transformer architectures such as LLaMA and GPT demonstrate that our approach achieves faster convergence than state-of-the-art optimizers.

Mixed integer linear programs are commonly solved by Branch and Bound algorithms. A key factor of the efficiency of the most successful commercial solvers is their fine-tuned heuristics. In this paper, we leverage patterns in real-world instances to learn from scratch a new branching strategy optimised for a given problem and compare it with a commercial solver. We propose FMSTS, a novel Reinforcement Learning approach specifically designed for this task. The strength of our method lies in the consistency between a local value function and a global metric of interest. In addition, we provide insights for adapting known RL techniques to the Branch and Bound setting, and present a new neural network architecture inspired from the literature. To our knowledge, it is the first time Reinforcement Learning has been used to fully optimise the branching strategy. Computational experiments show that our method is appropriate and able to generalise well to new instances.

Reinforcement learning has become central to post-training large language models, yet dominant algorithms rely on clipping mechanisms that introduce optimization issues at scale, including zero-gradient regions, reward hacking, and training instability. We propose Clipping-Free Policy Optimization (CFPO), which replaces heuristic clipping with a convex quadratic penalty derived from Total Variation divergence constraints, yielding an everywhere-differentiable objective that enforces stable policy updates without hard boundaries. We evaluate CFPO across both reasoning and alignment settings. In reasoning, CFPO matches clipping-based methods on downstream benchmarks while extending the stable training regime. In alignment, CFPO mitigates verbosity exploitation and reduces capability degradation, while achieving competitive instruction-following performance. CFPO requires only a one-line code change and no additional hyperparameters. Our results suggest that CFPO is a promising drop-in alternative to clipping-based methods for LLM post-training.

Albeit being a prevalent architecture searching approach, differentiable architecture search (DARTS) is largely hindered by its substantial memory cost since the entire supernet resides in the memory. This is where the single-path DARTS comes in, which only chooses a single-path submodel at each step. While being memory-friendly, it also comes with low computational costs. Nonetheless, we discover a critical issue of single-path DARTS that has not been primarily noticed. Namely, it also suffers from severe performance collapse since too many parameter-free operations like skip connections are derived, just like DARTS does. In this paper, we propose a new algorithm called RObustifying Memory-Efficient NAS (ROME) to give a cure. First, we disentangle the topology search from the operation search to make searching and evaluation consistent. We then adopt Gumbel-Top2 reparameterization and gradient accumulation to robustify the unwieldy bi-level optimization. We verify ROME extensively across 15 benchmarks to demonstrate its effectiveness and robustness.

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum solvers. In this work, we investigate a suite of Lagrangian-based optimization techniques including dual ascent, bundle methods, cutting plane approaches, and augmented Lagrangian formulations for solving constrained combinatorial problems on quantum simulators and hardware. Our framework is applied to three representative NP-hard problems: the Travelling Salesman Problem (TSP), the Multi-Dimensional Knapsack Problem (MDKP), and the Maximum Independent Set (MIS). We demonstrate that MDKP and TSP, with their inequality-based or degree-constrained structures, allow for slack-free reformulations, leading to significant qubit savings without compromising performance. In contrast, MIS does not inherently benefit from slack elimination but still gains in feasibility and objective quality from principled Lagrangian updates. We benchmark these methods across classically hard instances, analyzing trade-offs in qubit usage, feasibility, and optimality gaps. Our results highlight the flexibility of Lagrangian formulations as a scalable alternative to naive QUBO penalization, even when qubit savings are not always achievable. This work provides practical insights for deploying constraint-aware quantum optimization pipelines, with applications in logistics, network design, and resource allocation.

While the rapid expansion of data centers poses challenges for power grids, it also offers new opportunities as potentially flexible loads. Existing power system research often abstracts data centers as aggregate resources, while computer system research primarily focuses on optimizing GPU energy efficiency and largely ignores the grid impacts of optimized GPU power consumption. To bridge this gap, we develop a GPU-to-Grid framework that couples device-level GPU control with power system objectives. We study distribution-level voltage regulation enabled by flexibility in LLM inference, using batch size as a control knob that trades off the voltage impacts of GPU power consumption against inference latency and token throughput. We first formulate this problem as an optimization problem and then realize it as an online feedback optimization controller that leverages measurements from both the power grid and GPU systems. Our key insight is that reducing GPU power consumption alleviates violations of lower voltage limits, while increasing GPU power mitigates violations near upper voltage limits in distribution systems; this runs counter to the common belief that minimizing GPU power consumption is always beneficial to power grids.

Recent advances in deep-research agents have shown promise for autonomous knowledge construction through dynamic reasoning over external sources. However, existing approaches rely on a mono-contextual paradigm that accumulates all information in a single, expanding context window, leading to context suffocation and noise contamination that limit their effectiveness on long-horizon tasks. We introduce IterResearch, a novel iterative deep-research paradigm that reformulates long-horizon research as a Markov Decision Process with strategic workspace reconstruction. By maintaining an evolving report as memory and periodically synthesizing insights, our approach preserves consistent reasoning capacity across arbitrary exploration depths. We further develop Efficiency-Aware Policy Optimization (EAPO), a reinforcement learning framework that incentivizes efficient exploration through geometric reward discounting and enables stable distributed training via adaptive downsampling. Extensive experiments demonstrate that IterResearch achieves substantial improvements over existing open-source agents with average +14.5pp across six benchmarks and narrows the gap with frontier proprietary systems. Remarkably, our paradigm exhibits unprecedented interaction scaling, extending to 2048 interactions with dramatic performance gains (from 3.5\% to 42.5\%), and serves as an effective prompting strategy, improving frontier models by up to 19.2pp over ReAct on long-horizon tasks. These findings position IterResearch as a versatile solution for long-horizon reasoning, effective both as a trained agent and as a prompting paradigm for frontier models.

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

We introduce Evolution Guided General Optimization via Low-rank Learning (EGGROLL), an evolution strategies (ES) algorithm designed to scale backprop-free optimization to large population sizes for modern large neural network architectures with billions of parameters. ES is a set of powerful blackbox optimisation methods that can handle non-differentiable or noisy objectives with excellent scaling potential through parallelisation. Na{ï}ve ES becomes prohibitively expensive at scale due to the computational and memory costs associated with generating matrix perturbations EinR^{mtimes n} and the batched matrix multiplications needed to compute per-member forward passes. EGGROLL overcomes these bottlenecks by generating random matrices Ain R^{mtimes r}, Bin R^{ntimes r} with rll min(m,n) to form a low-rank matrix perturbation A B^top that are used in place of the full-rank perturbation E. As the overall update is an average across a population of N workers, this still results in a high-rank update but with significant memory and computation savings, reducing the auxiliary storage from mn to r(m+n) per layer and the cost of a forward pass from O(mn) to O(r(m+n)) when compared to full-rank ES. A theoretical analysis reveals our low-rank update converges to the full-rank update at a fast Oleft(1{r}right) rate. Our experiments show that (1) EGGROLL does not compromise the performance of ES in tabula-rasa RL settings, despite being faster, (2) it is competitive with GRPO as a technique for improving LLM reasoning, and (3) EGGROLL enables stable pre-training of nonlinear recurrent language models that operate purely in integer datatypes.

Collaborative multi-agent reinforcement learning (c-MARL) has rapidly evolved, offering state-of-the-art algorithms for real-world applications, including sensitive domains. However, a key challenge to its widespread adoption is the lack of a thorough investigation into its vulnerabilities to adversarial attacks. Existing work predominantly focuses on training-time attacks or unrealistic scenarios, such as access to policy weights or the ability to train surrogate policies. In this paper, we investigate new vulnerabilities under more realistic and constrained conditions, assuming an adversary can only collect and perturb the observations of deployed agents. We also consider scenarios where the adversary has no access at all. We propose simple yet highly effective algorithms for generating adversarial perturbations designed to misalign how victim agents perceive their environment. Our approach is empirically validated on three benchmarks and 22 environments, demonstrating its effectiveness across diverse algorithms and environments. Furthermore, we show that our algorithm is sample-efficient, requiring only 1,000 samples compared to the millions needed by previous methods.

Applying reinforcement learning (RL) to combinatorial optimization problems is attractive as it removes the need for expert knowledge or pre-solved instances. However, it is unrealistic to expect an agent to solve these (often NP-)hard problems in a single shot at inference due to their inherent complexity. Thus, leading approaches often implement additional search strategies, from stochastic sampling and beam search to explicit fine-tuning. In this paper, we argue for the benefits of learning a population of complementary policies, which can be simultaneously rolled out at inference. To this end, we introduce Poppy, a simple training procedure for populations. Instead of relying on a predefined or hand-crafted notion of diversity, Poppy induces an unsupervised specialization targeted solely at maximizing the performance of the population. We show that Poppy produces a set of complementary policies, and obtains state-of-the-art RL results on four popular NP-hard problems: traveling salesman, capacitated vehicle routing, 0-1 knapsack, and job-shop scheduling.

Adversarial training is well-known to produce high-quality neural network models that are empirically robust against adversarial perturbations. Nevertheless, once a model has been adversarially trained, one often desires a certification that the model is truly robust against all future attacks. Unfortunately, when faced with adversarially trained models, all existing approaches have significant trouble making certifications that are strong enough to be practically useful. Linear programming (LP) techniques in particular face a "convex relaxation barrier" that prevent them from making high-quality certifications, even after refinement with mixed-integer linear programming (MILP) and branch-and-bound (BnB) techniques. In this paper, we propose a nonconvex certification technique, based on a low-rank restriction of a semidefinite programming (SDP) relaxation. The nonconvex relaxation makes strong certifications comparable to much more expensive SDP methods, while optimizing over dramatically fewer variables comparable to much weaker LP methods. Despite nonconvexity, we show how off-the-shelf local optimization algorithms can be used to achieve and to certify global optimality in polynomial time. Our experiments find that the nonconvex relaxation almost completely closes the gap towards exact certification of adversarially trained models.

Robust optimization safeguards decisions against uncertainty by optimizing against worst-case scenarios, yet their effectiveness hinges on a prespecified robustness level that is often chosen ad hoc, leading to either insufficient protection or overly conservative and costly solutions. Recent approaches using conformal prediction construct data-driven uncertainty sets with finite-sample coverage guarantees, but they still fix coverage targets a priori and offer little guidance for selecting robustness levels. We propose a new framework that provides distribution-free, finite-sample guarantees on both miscoverage and regret for any family of robust predict-then-optimize policies. Our method constructs valid estimators that trace out the miscoverage-regret Pareto frontier, enabling decision-makers to reliably evaluate and calibrate robustness levels according to their cost-risk preferences. The framework is simple to implement, broadly applicable across classical optimization formulations, and achieves sharper finite-sample performance than existing approaches. These results offer the first principled data-driven methodology for guiding robustness selection and empower practitioners to balance robustness and conservativeness in high-stakes decision-making.

The integration of artificial intelligence (AI) agents into web browsers introduces security challenges that go beyond traditional web application threat models. Prior work has identified prompt injection as a new attack vector for web agents, yet the resulting impact within real-world environments remains insufficiently understood. In this work, we examine the landscape of prompt injection attacks and synthesize a benchmark of attacks embedded in realistic HTML payloads. Our benchmark goes beyond prior work by emphasizing injections that can influence real-world actions rather than mere text outputs, and by presenting attack payloads with complexity and distractor frequency similar to what real-world agents encounter. We leverage this benchmark to conduct a comprehensive empirical evaluation of existing defenses, assessing their effectiveness across a suite of frontier AI models. We propose a multi-layered defense strategy comprising both architectural and model-based defenses to protect against evolving prompt injection attacks. Our work offers a blueprint for designing practical, secure web agents through a defense-in-depth approach.

LLM-based agents for machine learning engineering (MLE) predominantly rely on tree search, a form of gradient-free optimization that uses scalar validation scores to rank candidates. As LLM reasoning capabilities improve, exhaustive enumeration becomes increasingly inefficient compared to directed updates, analogous to how accurate gradients enable efficient descent over random search. We introduce Gome, an MLE agent that operationalizes gradient-based optimization. Gome maps structured diagnostic reasoning to gradient computation, success memory to momentum, and multi-trace execution to distributed optimization. Under a closed-world protocol that isolates architectural effects from external knowledge, Gome achieves a state-of-the-art 35.1\% any-medal rate on MLE-Bench with a restricted 12-hour budget on a single V100 GPU. Scaling experiments across 10 models reveal a critical crossover: with weaker models, tree search retains advantages by compensating for unreliable reasoning through exhaustive exploration; as reasoning capability strengthens, gradient-based optimization progressively outperforms, with the gap widening at frontier-tier models. Given the rapid advancement of reasoning-oriented LLMs, this positions gradient-based optimization as an increasingly favorable paradigm. We release our codebase and GPT-5 traces at https://github.com/microsoft/RD-Agent.

Optimizing CUDA code across multiple generations of GPU architectures is challenging, as achieving peak performance requires an extensive exploration of an increasingly complex, hardware-specific optimization space. Traditional compilers are constrained by fixed heuristics, whereas finetuning Large Language Models (LLMs) can be expensive. However, agentic workflows for CUDA code optimization have limited ability to aggregate knowledge from prior exploration, leading to biased sampling and suboptimal solutions. We propose KernelBlaster, a Memory-Augmented In-context Reinforcement Learning (MAIC-RL) framework designed to improve CUDA optimization search capabilities of LLM-based GPU coding agents. KernelBlaster enables agents to learn from experience and make systematically informed decisions on future tasks by accumulating knowledge into a retrievable Persistent CUDA Knowledge Base. We propose a novel profile-guided, textual-gradient-based agentic flow for CUDA generation and optimization to achieve high performance across generations of GPU architectures. KernelBlaster guides LLM agents to systematically explore high-potential optimization strategies beyond naive rewrites. Compared to the PyTorch baseline, our method achieves geometric mean speedups of 1.43x, 2.50x, and 1.50x on KernelBench Levels 1, 2, and 3, respectively. We release KernelBlaster as an open-source agentic framework, accompanied by a test harness, verification components, and a reproducible evaluation pipeline.

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

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting the search space to fixed heuristic forms. Such designs offer limited capacity for structural exploration, making it difficult to escape deep local optima in complex Combinatorial Optimization Problems (COPs). In this work, we propose G-LNS, a generative evolutionary framework that extends LLM-based AHD to the automated design of Large Neighborhood Search (LNS) operators. Unlike prior methods that evolve heuristics in isolation, G-LNS leverages LLMs to co-evolve tightly coupled pairs of destroy and repair operators. A cooperative evaluation mechanism explicitly captures their interaction, enabling the discovery of complementary operator logic that jointly performs effective structural disruption and reconstruction. Extensive experiments on challenging COP benchmarks, such as Traveling Salesman Problems (TSP) and Capacitated Vehicle Routing Problems (CVRP), demonstrate that G-LNS significantly outperforms LLM-based AHD methods as well as strong classical solvers. The discovered heuristics not only achieve near-optimal solutions with reduced computational budgets but also exhibit robust generalization across diverse and unseen instance distributions.