Daily Papers

Designing and authoring high-performance custom kernels for accelerators is a complex task that requires deep hardware-level expertise. Large Language Models (LLM) can be leveraged together with real-time compiler feedback to build agentic systems for kernel generation. In this work, we present MaxKernel, a multi-agent system that implements three distinct paradigms for TPU kernel development: (1) a Human-in-the-Loop (HITL) agent for collaborative, step-by-step design; (2) an Autonomous (Auto) agent that executes a fully automated, metric/trace-driven optimization loop; and (3) a Graph-Based Autonomous Search that scales the Auto agent for global exploration of the design space. All three paradigms leverage a shared pool of specialized sub-agents to handle planning, implementation, self-debugging, testing, and hardware profiling. We evaluate MaxKernel on JaxBench, a comprehensive suite of 50 diverse kernel tasks for TPUs, alongside complex, real-world workloads from state-of-the-art open-source models. We demonstrate that MaxKernel consistently generates highly optimized implementations, matching expert hand-tuned baselines and delivering significant performance across the benchmark. Our agent is open-sourced and available https://github.com/AI-Hypercomputer/accelerator-agents/tree/main/MaxKernel.

Recent advances in online reinforcement learning (RL) for large language models (LLMs) have demonstrated promising performance in complex reasoning tasks. However, they often exhibit an imbalanced exploration-exploitation trade-off, resulting in unstable optimization and sub-optimal performance. We introduce IB-Score, a novel metric grounded in Information Bottleneck theory that evaluates policy's exploration-exploitation balance by quantifying the trade-off between step-level reasoning diversity and mutual information shared with the correct answer. Analysis based on IB-Score shows that popular online RL approaches (e.g., GRPO) with common regularizers fail to consistently maintain balance during training with suboptimal results. To address this, we propose Information Bottleneck-driven Tree-based Policy Optimization (IB-TPO), a principled framework that formulates IB-Score as a fine-grained optimization objective and utilizes a novel IB-guided tree sampling strategy that not only improves the efficiency of online sampling with 50% more trajectories under the same token budget, but also reuses the tree structure for effective IB-Score Monte Carlo estimation. Extensive experiments across standard benchmarks show that our method significantly outperforms GRPO baseline by 2.9% to 3.6% and also outperforms other state-of-the-art online RL approaches. Our code is available at https://github.com/alibaba/EfficientRL.

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

Online platforms require robust systems to enforce content safety policies at scale. A critical component of these systems is the ability to evaluate the quality of moderation decisions made by both human agents and Large Language Models (LLMs). However, this evaluation is challenging due to the inherent trade-offs between cost, scale, and trustworthiness, along with the complexity of evolving policies. To address this, we present a comprehensive Decision Quality Evaluation Framework developed and deployed at Pinterest. The framework is centered on a high-trust Golden Set (GDS) curated by subject matter experts (SMEs), which serves as a ground truth benchmark. We introduce an automated intelligent sampling pipeline that uses propensity scores to efficiently expand dataset coverage. We demonstrate the framework's practical application in several key areas: benchmarking the cost-performance trade-offs of various LLM agents, establishing a rigorous methodology for data-driven prompt optimization, managing complex policy evolution, and ensuring the integrity of policy content prevalence metrics via continuous validation. The framework enables a shift from subjective assessments to a data-driven and quantitative practice for managing content safety systems.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

The optimization of long-horizon agents increasingly relies on reflection-based mechanisms, where a large language model (LLM) acts as an optimizer to diagnose agent failures and improve agent policies. However, real execution traces are difficult to use directly for optimization: large trace collections are often redundant and heterogeneous, making optimization inefficient and prone to overfitting to low-value failures; meanwhile, each individual trajectory also contains many irrelevant steps, while naive context reduction methods such as truncation or sliding windows can discard causally important evidence and produce misleading optimization signals. To resolve this dilemma, we introduce STRACE (Structural TRajectory Analysis and Causal Extraction), a framework that constructs high signal-noise optimization contexts for more precise and effective optimization. At the batch level, STRACE mines failure patterns to filter redundant traces and retain representative failures; within each selected trace, it performs causal localization over a textual dependency graph to remove non-causal steps and identify the true root-cause module for optimization. Empirical results demonstrate that STRACE significantly outperforms standard context-filtering baselines. Notably, on a challenging formal verification task (VeruSAGE-Bench), it successfully optimizes human-expert designed agents, delivering 1.4times success-rate improvement (42.5% to 58.5%). The code is available at https://github.com/moomight/STRACE .

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.

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.

A common architectural choice for deep metric learning is a convolutional neural network followed by global average pooling (GAP). Albeit simple, GAP is a highly effective way to aggregate information. One possible explanation for the effectiveness of GAP is considering each feature vector as representing a different semantic entity and GAP as a convex combination of them. Following this perspective, we generalize GAP and propose a learnable generalized sum pooling method (GSP). GSP improves GAP with two distinct abilities: i) the ability to choose a subset of semantic entities, effectively learning to ignore nuisance information, and ii) learning the weights corresponding to the importance of each entity. Formally, we propose an entropy-smoothed optimal transport problem and show that it is a strict generalization of GAP, i.e., a specific realization of the problem gives back GAP. We show that this optimization problem enjoys analytical gradients enabling us to use it as a direct learnable replacement for GAP. We further propose a zero-shot loss to ease the learning of GSP. We show the effectiveness of our method with extensive evaluations on 4 popular metric learning benchmarks. Code is available at: GSP-DML Framework

Deep metric learning objectives (e.g., triplet loss) require storing and comparing high-dimensional embeddings, making the per-batch loss buffer scale as O(Scdot D), where S is the number of samples in a batch and D is the feature dimension, thus limiting training on memory-constrained hardware. We propose Shadow Loss, a proxy-free, parameter-free objective that measures similarity via scalar projections onto the anchor direction, reducing the loss-specific buffer from O(Scdot D) to O(S) while preserving the triplet structure. We analyze gradients, provide a Lipschitz continuity bound, and show that Shadow Loss penalizes trivial collapse for stable optimization. Across fine-grained retrieval (CUB-200, CARS196), large-scale product retrieval (Stanford Online Products, In-Shop Clothes), and standard/medical benchmarks (CIFAR-10/100, Tiny-ImageNet, HAM-10K, ODIR-5K), Shadow Loss consistently outperforms recent objectives (Triplet, Soft-Margin Triplet, Angular Triplet, SoftTriple, Multi-Similarity). It also converges in approx 1.5-2times fewer epochs under identical backbones and mining. Furthermore, it improves representation separability as measured by higher silhouette scores. The design is architecture-agnostic and vectorized for efficient implementation. By decoupling discriminative power from embedding dimensionality and reusing batch dot-products, Shadow Loss enables memory-linear training and faster convergence, making deep metric learning practical on both edge and large-scale systems.

Conventional agent systems often struggle in open-ended environments where task distributions continuously drift and external supervision is scarce. Their reliance on static toolsets or offline training lags behind these dynamics, leaving the system's capability boundaries rigid and unknown. To address this, we propose the In-Situ Self-Evolving paradigm. This approach treats sequential task interactions as a continuous stream of experience, enabling the system to distill short-term execution feedback into long-term, reusable capabilities without access to ground-truth labels. Within this framework, we identify tool evolution as the critical pathway for capability expansion, which provides verifiable, binary feedback signals. Within this framework, we develop Yunjue Agent, a system that iteratively synthesizes, optimizes, and reuses tools to navigate emerging challenges. To optimize evolutionary efficiency, we further introduce a Parallel Batch Evolution strategy. Empirical evaluations across five diverse benchmarks under a zero-start setting demonstrate significant performance gains over proprietary baselines. Additionally, complementary warm-start evaluations confirm that the accumulated general knowledge can be seamlessly transferred to novel domains. Finally, we propose a novel metric to monitor evolution convergence, serving as a function analogous to training loss in conventional optimization. We open-source our codebase, system traces, and evolved tools to facilitate future research in resilient, self-evolving intelligence.

A major technique in learning-augmented online algorithms is combining multiple algorithms or predictors. Since the performance of each predictor may vary over time, it is desirable to use not the single best predictor as a benchmark, but rather a dynamic combination which follows different predictors at different times. We design algorithms that combine predictions and are competitive against such dynamic combinations for a wide class of online problems, namely, metrical task systems. Against the best (in hindsight) unconstrained combination of ell predictors, we obtain a competitive ratio of O(ell^2), and show that this is best possible. However, for a benchmark with slightly constrained number of switches between different predictors, we can get a (1+epsilon)-competitive algorithm. Moreover, our algorithms can be adapted to access predictors in a bandit-like fashion, querying only one predictor at a time. An unexpected implication of one of our lower bounds is a new structural insight about covering formulations for the k-server problem.

Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of Euclidean geometry, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.

Large Language Models (LLMs) have shown remarkable capabilities in solving various programming tasks, such as code generation. However, their potential for code optimization, particularly in performance enhancement, remains largely unexplored. This paper investigates the capabilities of LLMs in optimizing code for minimal execution time, addressing a critical gap in current research. The recently proposed code optimization methods construct program optimization pairs based on iterative submissions from the same programmer for the same problem. However, this approach confines LLMs to local performance improvements, neglecting global algorithmic innovation. To overcome this limitation, we adopt a completely different perspective by reconstructing the optimization pairs into a problem-oriented approach. This allows for the integration of various ideas from multiple programmers tackling the same problem. Furthermore, we observe that code optimization presents greater challenges compared to code generation, often accompanied by "optimization tax". Recognizing the inherent trade-offs in correctness and efficiency, we introduce a novel anchor verification framework to mitigate this "optimization tax". Ultimately, the problem oriented perspective combined with the anchor verification framework significantly enhances both the correct optimization ratio and speedup to new levels.

We address the problem of distance metric learning (DML), defined as learning a distance consistent with a notion of semantic similarity. Traditionally, for this problem supervision is expressed in the form of sets of points that follow an ordinal relationship -- an anchor point x is similar to a set of positive points Y, and dissimilar to a set of negative points Z, and a loss defined over these distances is minimized. While the specifics of the optimization differ, in this work we collectively call this type of supervision Triplets and all methods that follow this pattern Triplet-Based methods. These methods are challenging to optimize. A main issue is the need for finding informative triplets, which is usually achieved by a variety of tricks such as increasing the batch size, hard or semi-hard triplet mining, etc. Even with these tricks, the convergence rate of such methods is slow. In this paper we propose to optimize the triplet loss on a different space of triplets, consisting of an anchor data point and similar and dissimilar proxy points which are learned as well. These proxies approximate the original data points, so that a triplet loss over the proxies is a tight upper bound of the original loss. This proxy-based loss is empirically better behaved. As a result, the proxy-loss improves on state-of-art results for three standard zero-shot learning datasets, by up to 15% points, while converging three times as fast as other triplet-based losses.

Assigning one of K options to each of N groups under a total cost budget is a recurring problem in efficient AI, including mixed-precision quantization, non-uniform pruning, and expert selection. The objective, typically model loss, depends jointly on all assignments and does not decompose across groups, preventing combinatorial solvers from directly optimizing the true objective and forcing reliance on proxy formulations. Methods such as evolutionary search evaluate the actual loss but lack gradient information, while penalty-based approaches enforce the budget only approximately and often require extensive hyperparameter tuning. We present a new approach by showing that, under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with unusually simple geometry. The normal vector admits a closed-form expression, shifting logits along the cost vector changes expected cost monotonically, and vector transport reduces to a single inner product. Building on these properties, we propose Riemannian Constrained Optimization (RCO), which augments a standard Adam step with tangent projection, binary-search retraction, and momentum transport. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO enables first-order optimization of the actual loss under exact budget enforcement without introducing constraint-specific hyperparameters. Across both synthetic benchmarks and realistic LLM compression settings, RCO matches or exceeds state-of-the-art methods while often requiring substantially less wall-clock time. Source code is available at https://github.com/IST-DASLab/RCO.

We consider function optimization as a sequential decision making problem under budget constraint. This constraint limits the number of objective function evaluations allowed during the optimization. We consider an algorithm inspired by a continuous version of a multi-armed bandit problem which attacks this optimization problem by solving the tradeoff between exploration (initial quasi-uniform search of the domain) and exploitation (local optimization around the potentially global maxima). We introduce the so-called Simultaneous Optimistic Optimization (SOO), a deterministic algorithm that works by domain partitioning. The benefit of such approach are the guarantees on the returned solution and the numerical efficiency of the algorithm. We present this machine learning approach to optimization, and provide the empirical assessment of SOO on the CEC'2014 competition on single objective real-parameter numerical optimization test-suite.

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 application of Reinforcement Learning with Verifiable Rewards (RLVR) to mathematical and coding domains has demonstrated significant improvements in the reasoning and problem-solving abilities of Large Language Models. Despite its success in single generation problem solving, the reinforcement learning fine-tuning process may harm the model's exploration ability, as reflected in decreased diversity of generations and a resulting degradation of performance during Best-of-N sampling for large N values. In this work, we focus on optimizing the max@k metric, a continuous generalization of pass@k. We derive an unbiased on-policy gradient estimate for direct optimization of this metric. Furthermore, we extend our derivations to the off-policy updates, a common element in modern RLVR algorithms, that allows better sample efficiency. Empirically, we show that our objective effectively optimizes max@k metric in off-policy scenarios, aligning the model with the Best-of-N inference strategy.

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

The alignment of Large Language Models (LLMs) with human values is central to their safe deployment, yet current practice produces static, brittle, and costly-to-maintain models that fail to keep pace with evolving norms and policies. This misalignment, which we term the Alignment-Reality Gap, poses a growing challenge for reliable long-term use. Existing remedies are inadequate: large-scale re-annotation is economically prohibitive, and standard unlearning methods act as blunt instruments that erode utility rather than enable precise policy updates. We introduce TRACE (Triage and Re-align by Alignment Conflict Evaluation), a framework for principled unlearning that reconceives re-alignment as a programmatic policy application problem. TRACE programmatically triages existing preference data against a new policy, identifies high-impact conflicts via a alignment impact score, and applies a hybrid optimization that cleanly inverts, discards, or preserves preferences while safeguarding model performance. Empirical results show that TRACE achieves robust re-alignment across diverse model families (Qwen2.5-7B, Gemma-2-9B, Llama-3.1-8B). On both synthetic benchmarks and the PKU-SafeRLHF dataset under complex policy shift, TRACE enforces new principles without degrading general capabilities. Our work establishes a scalable, dynamic, and cost-effective paradigm for maintaining LLM alignment, providing a foundation for sustainable and responsible AI deployment.

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}.

We introduce fast algorithms for correlation clustering with respect to the Min Max objective that provide constant factor approximations on complete graphs. Our algorithms are the first purely combinatorial approximation algorithms for this problem. We construct a novel semi-metric on the set of vertices, which we call the correlation metric, that indicates to our clustering algorithms whether pairs of nodes should be in the same cluster. The paper demonstrates empirically that, compared to prior work, our algorithms sacrifice little in the objective quality to obtain significantly better run-time. Moreover, our algorithms scale to larger networks that are effectively intractable for known algorithms.

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.

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised deep-learning applications, these methods tend to be less adequate when there is large intra-class variance and low inter-class variance in input data distribution. Deep Metric Learning seeks to develop methods that aim to measure the similarity between data samples by learning a representation function that maps these data samples into a representative embedding space. It leverages carefully designed sampling strategies and loss functions that aid in optimizing the generation of a discriminative embedding space even for distributions having low inter-class and high intra-class variances. In this chapter, we will provide an overview of recent progress in this area and discuss state-of-the-art Deep Metric Learning approaches.

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.

In order to solve a task using reinforcement learning, it is necessary to first formalise the goal of that task as a reward function. However, for many real-world tasks, it is very difficult to manually specify a reward function that never incentivises undesirable behaviour. As a result, it is increasingly popular to use reward learning algorithms, which attempt to learn a reward function from data. However, the theoretical foundations of reward learning are not yet well-developed. In particular, it is typically not known when a given reward learning algorithm with high probability will learn a reward function that is safe to optimise. This means that reward learning algorithms generally must be evaluated empirically, which is expensive, and that their failure modes are difficult to anticipate in advance. One of the roadblocks to deriving better theoretical guarantees is the lack of good methods for quantifying the difference between reward functions. In this paper we provide a solution to this problem, in the form of a class of pseudometrics on the space of all reward functions that we call STARC (STAndardised Reward Comparison) metrics. We show that STARC metrics induce both an upper and a lower bound on worst-case regret, which implies that our metrics are tight, and that any metric with the same properties must be bilipschitz equivalent to ours. Moreover, we also identify a number of issues with reward metrics proposed by earlier works. Finally, we evaluate our metrics empirically, to demonstrate their practical efficacy. STARC metrics can be used to make both theoretical and empirical analysis of reward learning algorithms both easier and more principled.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

Recent advances in formal theorem proving have focused on Olympiad-level mathematics, leaving undergraduate domains largely unexplored. Optimization, fundamental to machine learning, operations research, and scientific computing, remains underserved by existing provers. Its reliance on domain-specific formalisms (convexity, optimality conditions, and algorithmic analysis) creates significant distribution shift, making naive domain transfer ineffective. We present OptProver, a trained model that achieves robust transfer from Olympiad to undergraduate optimization. Starting from a strong Olympiad-level prover, our pipeline mitigates distribution shift through two key innovations. First, we employ large-scale optimization-focused data curation via expert iteration. Second, we introduce a specialized preference learning objective that integrates perplexity-weighted optimization with a mechanism to penalize valid but non-progressing proof steps. This not only addresses distribution shifts but also guides the search toward efficient trajectories. To enable rigorous evaluation, we construct a novel benchmark in Lean 4 focused on optimization. On this benchmark, OptProver achieves state-of-the-art Pass@1 and Pass@32 among comparably sized models while maintaining competitive performance on general theorem-proving tasks, demonstrating effective domain transfer without catastrophic forgetting.

Recent advances in flow-based offline reinforcement learning (RL) have achieved strong performance by parameterizing policies via flow matching. However, they still face critical trade-offs among expressiveness, optimality, and efficiency. In particular, existing flow policies interpret the L_2 regularization as an upper bound of the 2-Wasserstein distance (W_2), which can be problematic in offline settings. This issue stems from a fundamental geometric mismatch: the behavioral policy manifold is inherently anisotropic, whereas the L_2 (or upper bound of W_2) regularization is isotropic and density-insensitive, leading to systematically misaligned optimization directions. To address this, we revisit offline RL from a geometric perspective and show that policy refinement can be formulated as a local transport map: an initial flow policy augmented by a residual displacement. By analyzing the induced density transformation, we derive a local quadratic approximation of the KL-constrained objective governed by the Fisher information matrix, enabling a tractable anisotropic optimization formulation. By leveraging the score function embedded in the flow velocity, we obtain a corresponding quadratic constraint for efficient optimization. Our results reveal that the optimality gap in prior methods arises from their isotropic approximation. In contrast, our framework achieves a controllable approximation error within a provable neighborhood of the optimal solution. Extensive experiments demonstrate state-of-the-art performance across diverse offline RL benchmarks. See project page: https://github.com/ARC0127/Fisher-Decorator.

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

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.

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

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance scale. In this work, we provide a principled interpretation of CFG through the lens of optimization. We demonstrate that the velocity field in flow matching corresponds to the gradient of a sequence of smoothed distance functions, which guides latent variables toward the scaled target image set. This perspective reveals that the standard CFG formulation is an approximation of this gradient, where the prediction gap, the discrepancy between conditional and unconditional outputs, governs guidance sensitivity. Leveraging this insight, we reformulate the CFG sampling as a homotopy optimization with a manifold constraint. This formulation necessitates a manifold projection step, which we implement via an incremental gradient descent scheme during sampling. To improve computational efficiency and stability, we further enhance this iterative process with Anderson Acceleration without requiring additional model evaluations. Our proposed methods are training-free and consistently refine generation fidelity, prompt alignment, and robustness to the guidance scale. We validate their effectiveness across diverse benchmarks, demonstrating significant improvements on large-scale models such as DiT-XL-2-256, Flux, and Stable Diffusion 3.5.

Automatic prompt optimization (APO) has emerged as a powerful paradigm for improving LLM performance without manual prompt engineering. Reflective APO methods such as GEPA iteratively refine prompts by diagnosing failure cases, but the optimization process remains black-box and label-free, leading to uninterpretable trajectories and systematic failure. We identify and empirically demonstrate four limitations: on GSM8K with a defective seed, GEPA degrades accuracy from 23.81% to 13.50%. We propose VISTA, a multi-agent APO framework that decouples hypothesis generation from prompt rewriting, enabling semantically labeled hypotheses, parallel minibatch verification, and interpretable optimization trace. A two-layer explore-exploit mechanism combining random restart and epsilon-greedy sampling further escapes local optima. VISTA recovers accuracy to 87.57% on the same defective seed and consistently outperforms baselines across all conditions on GSM8K and AIME2025.

Training modern neural networks is increasingly fragile, with rare but severe destabilizing updates often causing irreversible divergence or silent performance degradation. Existing optimization methods primarily rely on preventive mechanisms embedded within the optimizer, offering limited ability to detect and recover from instability once it occurs. We introduce a supervisory runtime stability framework that treats optimization as a controlled stochastic process. By isolating an innovation signal derived from secondary measurements, such as validation probes, the framework enables automatic detection and recovery from destabilizing updates without modifying the underlying optimizer. We provide theoretical runtime safety guarantees that formalize bounded degradation and recovery. Our implementation incurs minimal overhead and is compatible with memory-constrained training settings.

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 multi-fidelity optimization, biased approximations of varying costs of the target function are available. This paper studies the problem of optimizing a locally smooth function with a limited budget, where the learner has to make a tradeoff between the cost and the bias of these approximations. We first prove lower bounds for the simple regret under different assumptions on the fidelities, based on a cost-to-bias function. We then present the Kometo algorithm which achieves, with additional logarithmic factors, the same rates without any knowledge of the function smoothness and fidelity assumptions, and improves previously proven guarantees. We finally empirically show that our algorithm outperforms previous multi-fidelity optimization methods without the knowledge of problem-dependent parameters.

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.

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.

Recent systems for optimizing prompts, programs, and ML workflows typically rely on explicit outer-loop controllers such as evolutionary search, bandits, or textual-gradient methods. We ask a fundamentally different question: how much of this search policy can be internalized by a single tool-using agent? We present ReASearch, a unified framework for reasoning-driven optimization in which the agent autonomously decides what to evaluate, how to diagnose failures, which edits to make, and when to verify or restart. Rather than serving only as a proposal generator guided by hand-designed heuristics, the agent actively analyzes outcomes, allocates budget, and refines its strategy over long horizons through persistent memory. With a shared agent loop and domain-specific tools, ReASearch instantiates the exact same scaffold to optimize prompts, programs, and ML workflows. Across 14 diverse tasks, it is competitive with and mostly better than specialized optimization systems, achieving gains of 2% to 40% over strong domain-specific baselines, and in some cases discovering solutions that improve on prior human best-known results. Crucially, we observe that complex search behaviors, which are typically implemented by explicit controllers, emerge naturally from the agent's reasoning process.

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

Optimization modeling via mixed-integer linear programming (MILP) is fundamental to industrial planning and scheduling, yet translating natural-language requirements into solver-executable models and maintaining them under evolving business rules remains highly expertise-intensive. While large language models (LLMs) offer promising avenues for automation, existing methods often suffer from low data efficiency, limited solver-level validity, and poor scalability to industrial-scale problems. To address these challenges, we present EvoOpt-LLM, a unified LLM-based framework supporting the full lifecycle of industrial optimization modeling, including automated model construction, dynamic business-constraint injection, and end-to-end variable pruning. Built on a 7B-parameter LLM and adapted via parameter-efficient LoRA fine-tuning, EvoOpt-LLM achieves a generation rate of 91% and an executability rate of 65.9% with only 3,000 training samples, with critical performance gains emerging under 1,500 samples. The constraint injection module reliably augments existing MILP models while preserving original objectives, and the variable pruning module enhances computational efficiency, achieving an F1 score of ~0.56 on medium-sized LP models with only 400 samples. EvoOpt-LLM demonstrates a practical, data-efficient approach to industrial optimization modeling, reducing reliance on expert intervention while improving adaptability and solver efficiency.

Meta-learning empowers artificial intelligence to increase its efficiency by learning how to learn. Unlocking this potential involves overcoming a challenging meta-optimisation problem. We propose an algorithm that tackles this problem by letting the meta-learner teach itself. The algorithm first bootstraps a target from the meta-learner, then optimises the meta-learner by minimising the distance to that target under a chosen (pseudo-)metric. Focusing on meta-learning with gradients, we establish conditions that guarantee performance improvements and show that the metric can control meta-optimisation. Meanwhile, the bootstrapping mechanism can extend the effective meta-learning horizon without requiring backpropagation through all updates. We achieve a new state-of-the art for model-free agents on the Atari ALE benchmark and demonstrate that it yields both performance and efficiency gains in multi-task meta-learning. Finally, we explore how bootstrapping opens up new possibilities and find that it can meta-learn efficient exploration in an epsilon-greedy Q-learning agent, without backpropagating through the update rule.

Low-rank pre-training and fine-tuning have recently emerged as promising techniques for reducing the computational and storage costs of large neural networks. Training low-rank parameterizations typically relies on conventional optimizers such as heavy ball momentum methods or Adam. In this work, we identify and analyze potential difficulties that these training methods encounter when used to train low-rank parameterizations of weights. In particular, we show that classical momentum methods can struggle to converge to a local optimum due to the geometry of the underlying optimization landscape. To address this, we introduce novel training strategies derived from dynamical low-rank approximation, which explicitly account for the underlying geometric structure. Our approach leverages and combines tools from dynamical low-rank approximation and momentum-based optimization to design optimizers that respect the intrinsic geometry of the parameter space. We validate our methods through numerical experiments, demonstrating faster convergence, and stronger validation metrics at given parameter budgets.

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.

Evaluation metrics are central to binary target segmentation because they determine how progress is measured, compared, and interpreted. In this paper, target denotes the task-defined positive region to be segmented rather than a generic foreground object. It may be salient, camouflaged, transparent, glass-like, mirror-like, shadow-like, lesion-like, or defined by other application-specific semantics. We treat existing metrics as compositions of modular design choices rather than isolated formulas. The proposed framework decomposes each metric into five stages covering prediction representation, target extraction, target matching, score computation, and metric reporting. We use this framework to analyze representative metrics and show how newer metrics address specific limits in earlier protocols. The stage choices keep each metric's assumptions visible. We then discuss the design space opened by the framework and its implications for task-aware evaluation protocols. Reference code is available at https://github.com/lartpang/PySODMetrics.

Existing prompt-optimization techniques rely on local signals to update behavior, often neglecting broader and recurring patterns across tasks, leading to poor generalization; they further rely on full-prompt rewrites or unstructured merges, resulting in knowledge loss. These limitations are magnified in research-coding workflows, which involve heterogeneous repositories, underspecified environments, and weak feedback, where reproducing results from public codebases is an established evaluation regime. We introduce Reflective Evolving Research Engineer (REVERE), a framework that continuously learns from Global Training Context, recognizes recurring failure modes in cross-repository execution trajectories, distills them into reusable heuristics, and performs targeted edits across three configurable fields: the system prompt, a task-prompt template, and a cumulative cheatsheet. REVERE, via this reflective optimization framework, improves performance over prior state-of-the-art expert-crafted instructions on research coding tasks by 4.50% on SUPER, 3.51% on ResearchCodeBench, and 4.89% on ScienceAgentBench across their respective metrics. These results demonstrate that agents equipped with mechanisms for continual learning and global memory consolidation can meaningfully evolve their capabilities over time.

Large language model (LLM) agents augmented with external tools often struggle as number of tools grow large and become domain-specific. In such settings, ambiguous tool descriptions and under-specified agent instructions frequently lead to tool mis-selection and incorrect slot/value instantiation. We hypothesize that this is due to two root causes: generic, one-size-fits-all prompts that ignore tool-specific nuances, and underspecified tool schemas that lack clear guidance on when and how to use each tool and how to format its parameters. We introduce Joint Tool-Prompt Reflective Optimization (JTPRO), a framework for improving tool-calling reliability in trace-supervised settings by iteratively using rollout-driven reflection to co-optimize global instructions and per-tool schema/argument descriptions for accurate tool selection and argument instantiation in large tool inventories. JTPRO is designed to preserve only tool-local cues needed for correct disambiguation and slot filling. We evaluate JTPRO across multi-tool benchmarks, which account for different number of tools using three metrics: Tool Selection Accuracy (TSA), Slot Filling Accuracy(SFA), and Overall Success Rate(OSR) (correct tool + correct slots + correct values). JTPRO consistently outperforms strong baselines, including CoT-style agents, and reflective prompt optimizers such as GEPA by 5%-20% (relative) on OSR. Ablations show that joint optimization of instructions and tool schemas is more effective and robust than optimizing either component in isolation.

Prompt optimization offers a practical and broadly applicable alternative to fine-tuning for improving large language model (LLM) performance. However, existing methods often rely on costly output generation, self-critiquing abilities, or human-annotated preferences, which limit their scalability, especially for smaller or non-instruction-tuned models. We introduce PMPO (Probabilistic Metric Prompt Optimization), a unified framework that refines prompts using token-level cross-entropy loss as a direct, lightweight evaluation signal. PMPO identifies low-quality prompt segments by masking and measuring their impact on loss, then rewrites and selects improved variants by minimizing loss over positive and negative examples. Unlike prior methods, it requires no output sampling or human evaluation during optimization, relying only on forward passes and log-likelihoods. PMPO supports both supervised and preference-based tasks through a closely aligned loss-based evaluation strategy. Experiments show that PMPO consistently outperforms prior methods across model sizes and tasks: it achieves the highest average accuracy on BBH, performs strongly on GSM8K and AQUA-RAT, and improves AlpacaEval 2.0 win rates by over 19 points. These results highlight PMPO's effectiveness, efficiency, and broad applicability.

The high cost of fine-tuning LLMs poses a significant economic barrier; pre-hoc performance prediction offers a critical solution to substantially reduce this expense. However, the theoretical limits of pre-hoc performance prediction remain unexplored. We formulate it as a stochastic estimation problem under information constraints, decomposing prediction risk into two components: an intrinsic limit (static data-model compatibility) and a reducible optimization variance. We prove that optimization variance admits a necessary lower bound on its decay rate, implying fundamental constraints on how quickly uncertainty dissipates, regardless of the predictor used. Based on these dynamics, we derive a budget-optimal probing principle and introduce a predictability phase diagram that organizes tasks into three distinct regimes: Static-Sufficient, Dynamic-Critical, and Noise-Dominant. Extensive experiments on synthetic and real-world benchmarks validate these theoretical regimes and demonstrate the efficiency of our probing strategy.

Deep Metric Learning (DML) has long attracted the attention of the machine learning community as a key objective. Existing solutions concentrate on fine-tuning the pre-trained models on conventional image datasets. As a result of the success of recent pre-trained models trained from larger-scale datasets, it is challenging to adapt the model to the DML tasks in the local data domain while retaining the previously gained knowledge. In this paper, we investigate parameter-efficient methods for fine-tuning the pre-trained model for DML tasks. In particular, we propose a novel and effective framework based on learning Visual Prompts (VPT) in the pre-trained Vision Transformers (ViT). Based on the conventional proxy-based DML paradigm, we augment the proxy by incorporating the semantic information from the input image and the ViT, in which we optimize the visual prompts for each class. We demonstrate that our new approximations with semantic information are superior to representative capabilities, thereby improving metric learning performance. We conduct extensive experiments to demonstrate that our proposed framework is effective and efficient by evaluating popular DML benchmarks. In particular, we demonstrate that our fine-tuning method achieves comparable or even better performance than recent state-of-the-art full fine-tuning works of DML while tuning only a small percentage of total parameters.

Evaluating open-ended outputs from large language models (LLMs) remains challenging due to the absence of ground truth. Existing metrics rely on final-answer accuracy or surface-level statistics, leaving the reasoning process itself unexamined. We introduce TRACE (Toulmin-based Reasoning Assessment through Constructive Elements), a metric that analyzes Chain-of-Thought (CoT) reasoning processes. Rather than judging outcomes, TRACE inspects how arguments are constructed by integrating Toulmin's argumentation theory with Flavell's metacognitive framework to assess reasoning structure. Experiments on 26.3K QA samples across 7 reasoning models show strong correlation with benchmark accuracy (r=0.74). Furthermore, TRACE is effective as a reinforcement learning reward signal, outperforming accuracy-only baselines. Together, these results indicate that logically sound reasoning leads to higher-quality answers. TRACE thus serves as a complementary metric for evaluating open-ended outputs. Code is available at https://github.com/hyyangkisti/trace.

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

Large Language Models (LLMs) have emerged as powerful tools for complex Operations Research (OR) in automating optimization modeling. However, current methodologies heavily rely on prompt engineering (e.g., multi-agent cooperation) with proprietary LLMs, raising data privacy concerns that could be prohibitive in industry applications. To tackle this issue, we propose training open-source LLMs for optimization modeling. We identify four critical requirements for the training dataset of OR LLMs, design and implement OR-Instruct, a semi-automated process for creating synthetic data tailored to specific requirements. We also introduce the IndustryOR benchmark, the first industrial benchmark for testing LLMs on solving real-world OR problems. We apply the data from OR-Instruct to various open-source LLMs of 7b size (termed as ORLMs), resulting in a significantly improved capability for optimization modeling. Our best-performing ORLM achieves state-of-the-art performance on the NL4OPT, MAMO, and IndustryOR benchmarks. Our code and data will be available at https://github.com/Cardinal-Operations/ORLM.

We study the use of amortized optimization to predict optimal transport (OT) maps from the input measures, which we call Meta OT. This helps repeatedly solve similar OT problems between different measures by leveraging the knowledge and information present from past problems to rapidly predict and solve new problems. Otherwise, standard methods ignore the knowledge of the past solutions and suboptimally re-solve each problem from scratch. We instantiate Meta OT models in discrete and continuous settings between grayscale images, spherical data, classification labels, and color palettes and use them to improve the computational time of standard OT solvers. Our source code is available at http://github.com/facebookresearch/meta-ot

LangProp is a framework for iteratively optimizing code generated by large language models (LLMs) in a supervised/reinforcement learning setting. While LLMs can generate sensible solutions zero-shot, the solutions are often sub-optimal. Especially for code generation tasks, it is likely that the initial code will fail on certain edge cases. LangProp automatically evaluates the code performance on a dataset of input-output pairs, as well as catches any exceptions, and feeds the results back to the LLM in the training loop, so that the LLM can iteratively improve the code it generates. By adopting a metric- and data-driven training paradigm for this code optimization procedure, one could easily adapt findings from traditional machine learning techniques such as imitation learning, DAgger, and reinforcement learning. We demonstrate the first proof of concept of automated code optimization for autonomous driving in CARLA, showing that LangProp can generate interpretable and transparent driving policies that can be verified and improved in a metric- and data-driven way. Our code will be open-sourced and is available at https://github.com/shuishida/LangProp.

Metric learning aims to learn a highly discriminative model encouraging the embeddings of similar classes to be close in the chosen metrics and pushed apart for dissimilar ones. The common recipe is to use an encoder to extract embeddings and a distance-based loss function to match the representations -- usually, the Euclidean distance is utilized. An emerging interest in learning hyperbolic data embeddings suggests that hyperbolic geometry can be beneficial for natural data. Following this line of work, we propose a new hyperbolic-based model for metric learning. At the core of our method is a vision transformer with output embeddings mapped to hyperbolic space. These embeddings are directly optimized using modified pairwise cross-entropy loss. We evaluate the proposed model with six different formulations on four datasets achieving the new state-of-the-art performance. The source code is available at https://github.com/htdt/hyp_metric.

Parametric retrieval enables LLMs to retrieve tools implicitly by assigning each API a unique virtual token and training the model to generate it via constrained beam search. Toolsense shows that this regime has two critical drawbacks: it destroys parametric tool knowledge during training, and its beam-search decoding is too slow for real-time deployment. We introduce TRACE (Tool Retrieval via Augmented Chain-of-thought and Enterprise rules), a two-stage curriculum that resolves this dissociation. Stage 1 reuses the multi-format memorization SFT from ToolSense to seed tool knowledge with LoRA. Stage 2 is our core contribution: the model is trained to emit a thinking trace before producing a JSON list of tool tokens, using two data sources -- RRB pairs from ToolSense and queries synthesized to target business rules curated by domain experts -- both augmented with reasoning traces. This training objective preserves Stage 1 MCQ and QA probing accuracy while enabling single-beam greedy decoding at production latency. Evaluated on a combined enterprise catalog of 8,300+ tools across two enterprise product lines, TRACE training for Stage 2 not only preserves but improves tool understanding: MCQ accuracy gains +3.2 pp and QA probing gains +9 pp over Stage 1. On retrieval, TRACE achieves ~86% recall on Domain A and ~60% on Domain B -- compared to embedding baseline performance of ~27% & ~52% -- both with single-beam greedy decoding, making it directly deployable at production latency.

A fundamental problem in combinatorial optimization is identifying equivalent formulations, which can lead to more efficient solution strategies and deeper insights into a problem's computational complexity. The need to automatically identify equivalence between problem formulations has grown as optimization copilots--systems that generate problem formulations from natural language descriptions--have proliferated. However, existing approaches to checking formulation equivalence lack grounding, relying on simple heuristics which are insufficient for rigorous validation. Inspired by Karp reductions, in this work we introduce quasi-Karp equivalence, a formal criterion for determining when two optimization formulations are equivalent based on the existence of a mapping between their decision variables. We propose EquivaMap, a framework that leverages large language models to automatically discover such mappings, enabling scalable and reliable equivalence verification. To evaluate our approach, we construct the first open-source dataset of equivalent optimization formulations, generated by applying transformations such as adding slack variables or valid inequalities to existing formulations. Empirically, EquivaMap significantly outperforms existing methods, achieving substantial improvements in correctly identifying formulation equivalence.

Formulating optimization problems for industrial applications demands significant manual effort and domain expertise. While Large Language Models (LLMs) show promise in automating this process, evaluating their performance remains difficult due to the absence of robust metrics. Existing solver-based approaches often face inconsistency, infeasibility issues, and high computational costs. To address these issues, we propose ORGEval, a graph-theoretic evaluation framework for assessing LLMs' capabilities in formulating linear and mixed-integer linear programs. ORGEval represents optimization models as graphs, reducing equivalence detection to graph isomorphism testing. We identify and prove a sufficient condition, when the tested graphs are symmetric decomposable (SD), under which the Weisfeiler-Lehman (WL) test is guaranteed to correctly detect isomorphism. Building on this, ORGEval integrates a tailored variant of the WL-test with an SD detection algorithm to evaluate model equivalence. By focusing on structural equivalence rather than instance-level configurations, ORGEval is robust to numerical variations. Experimental results show that our method can successfully detect model equivalence and produce 100\% consistent results across random parameter configurations, while significantly outperforming solver-based methods in runtime, especially on difficult problems. Leveraging ORGEval, we construct the Bench4Opt dataset and benchmark state-of-the-art LLMs on optimization modeling. Our results reveal that although optimization modeling remains challenging for all LLMs, DeepSeek-V3 and Claude-Opus-4 achieve the highest accuracies under direct prompting, outperforming even leading reasoning models.

While theoretically appealing, the application of the Wasserstein distance to large-scale machine learning problems has been hampered by its prohibitive computational cost. The sliced Wasserstein distance and its variants improve the computational efficiency through the random projection, yet they suffer from low accuracy if the number of projections is not sufficiently large, because the majority of projections result in trivially small values. In this work, we propose a new family of distance metrics, called augmented sliced Wasserstein distances (ASWDs), constructed by first mapping samples to higher-dimensional hypersurfaces parameterized by neural networks. It is derived from a key observation that (random) linear projections of samples residing on these hypersurfaces would translate to much more flexible nonlinear projections in the original sample space, so they can capture complex structures of the data distribution. We show that the hypersurfaces can be optimized by gradient ascent efficiently. We provide the condition under which the ASWD is a valid metric and show that this can be obtained by an injective neural network architecture. Numerical results demonstrate that the ASWD significantly outperforms other Wasserstein variants for both synthetic and real-world problems.

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

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

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

LLM-based Automatic Prompt Optimization, which typically utilizes LLMs as Prompt Optimizers to self-reflect and refine prompts, has shown promising performance in recent studies. Despite the success, the underlying mechanism of this approach remains unexplored, and the true effectiveness of LLMs as Prompt Optimizers requires further validation. In this work, we conducted a comprehensive study to uncover the actual mechanism of LLM-based Prompt Optimization. Our findings reveal that the LLM optimizers struggle to identify the true causes of errors during reflection, tending to be biased by their own prior knowledge rather than genuinely reflecting on the errors. Furthermore, even when the reflection is semantically valid, the LLM optimizers often fail to generate appropriate prompts for the target models with a single prompt refinement step, partly due to the unpredictable behaviors of the target models. Based on the observations, we introduce a new "Automatic Behavior Optimization" paradigm, which directly optimizes the target model's behavior in a more controllable manner. We hope our study can inspire new directions for automatic prompt optimization development.

Large language models (LLMs) have become increasingly capable of following instructions and complex reasoning, making prompting a flexible interface for adapting models without parameter updates. Yet prompt design remains labor-intensive and highly sensitive to formatting, phrasing, and instruction order, motivating automated prompt optimization methods that reduce manual effort while preserving inference-time flexibility. However, existing methods often search over prompt candidates or use fixed critique-refine pipelines driven by individual examples or small batches, limiting their ability to capture systematic error patterns and make targeted edits grounded in failure history. We propose Reflective Prompt Tuning (RPT), a framework that uses LLM function calling to simulate the iterative workflow of human prompt engineers. An LLM optimizer calls a diagnostic function that evaluates the target model over an entire optimization set, summarizes recurring failure modes, and returns a structured diagnostic report. The optimizer uses this report, together with an accumulated memory of prior reports, to revise the prompt for the next iteration. RPT further supports confidence-aware optimization by using calibration signals in diagnostic feedback and final prompt selection. Across three reasoning tasks, RPT improves over initial prompts by up to 12.9 points, remains competitive with state of the art, and improves confidence calibration. Our analyses show that RPT is especially effective on multi-hop and mathematical reasoning, producing targeted prompt revisions that align with diagnosed failure patterns and lead to gains in task performance and calibration.

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.

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

This work explores the visual explanation for deep metric learning and its applications. As an important problem for learning representation, metric learning has attracted much attention recently, while the interpretation of such model is not as well studied as classification. To this end, we propose an intuitive idea to show where contributes the most to the overall similarity of two input images by decomposing the final activation. Instead of only providing the overall activation map of each image, we propose to generate point-to-point activation intensity between two images so that the relationship between different regions is uncovered. We show that the proposed framework can be directly deployed to a large range of metric learning applications and provides valuable information for understanding the model. Furthermore, our experiments show its effectiveness on two potential applications, i.e. cross-view pattern discovery and interactive retrieval. The source code is available at https://github.com/Jeff-Zilence/Explain_Metric_Learning.

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

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.

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

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

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.

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their effectiveness in solving specific problems, with search strategies primarily guided by adaptive prompt designs. In this paper, through investigating the token-wise attribution of the prompts to LLM-generated algorithmic codes, we show that providing high-quality algorithmic code examples can substantially improve the performance of the LLM-driven optimization. Building upon this insight, we propose leveraging prior benchmark algorithms to guide LLM-driven optimization and demonstrate superior performance on two black-box optimization benchmarks: the pseudo-Boolean optimization suite (pbo) and the black-box optimization suite (bbob). Our findings highlight the value of integrating benchmarking studies to enhance both efficiency and robustness of the LLM-driven black-box optimization methods.

While Large Language Models (LLMs) demonstrate remarkable reasoning, complex optimization tasks remain challenging, requiring domain knowledge and robust implementation. However, existing benchmarks focus narrowly on Mathematical Programming and Combinatorial Optimization, hindering comprehensive evaluation. To address this, we introduce OptiVerse, a comprehensive benchmark of 1,000 curated problems spanning neglected domains, including Stochastic Optimization, Dynamic Optimization, Game Optimization, and Optimal Control, across three difficulty levels: Easy, Medium, and Hard. The experiments with 22 LLMs of different sizes reveal sharp performance degradation on hard problems, where even advanced models like GPT-5.2 and Gemini-3 struggle to exceed 27% accuracy. Through error analysis, we identify that modeling & logic errors remain the primary bottleneck. Consequently, we propose a Dual-View Auditor Agent that improves the accuracy of the LLM modeling process without introducing significant time overhead. OptiVerse will serve as a foundational platform for advancing LLMs in solving complex optimization challenges.

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

Most LLM-based automated algorithm design methods optimize a designated component within a human-specified scaffold, fixing overall organization and component interactions. We present ATLAS, an embedding-guided quality-diversity framework for scaffold-free full-algorithm synthesis in combinatorial optimization. The problem specification supplies objectives and constraints; a minimal I/O interface fixes only instance and solution formats; the LLM chooses and restructures components, interactions, and control flow. This freedom enlarges the search space, risking invalid candidates and premature convergence to one design region. ATLAS independently detects execution, interface, and feasibility failures, recomputes objectives, and applies error-conditioned repair; similarity-based archive management preserves algorithms across embedding-space regions to counter premature convergence. Its three-layer search refines the best design, gives other regions dedicated refinement opportunities, and performs cross-region synthesis to recombine components and their interactions. Across four NP-hard problems, ATLAS outperforms several state-of-the-art component-synthesis methods and a matched full-synthesis baseline while remaining competitive with strong human-designed algorithms. One ATLAS run retains several algorithms with comparable performance from distinct embedding-space regions rather than a single design. Code inspection finds that these multi-component designs differ in their primary construction or global-search backbone. Our results suggest that embedding-guided quality-diversity search can make the enlarged full-algorithm design space practically searchable. Source code and exact executable prompts are available at <https://github.com/Danial-Yazdani/ATLAS>.

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

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.

Model-driven engineering (MDE) provides abstraction and analytical rigour, but industrial adoption in many domains has been limited by the cost of developing and maintaining models. Large language models (LLMs) can help shift this cost balance by supporting direct generation of models from natural-language (NL) descriptions. For domain-specific languages (DSLs), however, LLM-generated models may be less accurate than LLM-generated code in mainstream languages such as Python, due to the latter's dominance in LLM training corpora. We investigate this issue in mathematical optimization, with AMPL, a DSL with established industrial use. We introduce EXEOS, an LLM-based approach that derives AMPL models and Python code from NL problem descriptions and iteratively refines them with solver feedback. Using a public optimization dataset and real-world supply-chain cases from our industrial partner Kinaxis, we evaluate generated AMPL models against Python code in terms of executability and correctness. An ablation study with two LLM families shows that AMPL is competitive with, and sometimes better than, Python, and that our design choices in EXEOS improve the quality of generated specifications.

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

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

The Abstraction and Reasoning Corpus (ARC) tests whether a model can infer an unseen transformation from a few input-output examples and apply it to a new grid. Looped visual reasoners refine predictions over multiple iterations, but conventional training constrains only the final output, leaving intermediate refinements unconstrained. We propose that these refinements should instead follow the transformation step by step. We introduce TraceViT, a looped visual reasoner trained with semantically monotonic transformation chains. We obtain these chains by rewriting and verifying programmatic task implementations, decomposing each solution into intermediate grid states. Each iteration is grounded by a task reference derived from the few-shot demonstrations and an object workspace representing the current grid state. Because these chains may differ in length from the loop, soft trace alignment enforces only their ordering, letting the model allocate iterations freely. TraceViT achieves 67.8% pass@2 on ARC-AGI-1 and 24.3% on ARC-AGI-2. Controlled ablations on ARC-AGI-1 show that trace supervision becomes beneficial only when paired with grounding. Code and data will be available at https://github.com/LiuBinnan/TraceViT.

A fundamental challenge in data science is to match disparate point sets with each other. While optimal transport efficiently minimizes point displacements under a bijectivity constraint, it is inherently sensitive to rotations. Conversely, minimizing distortions via the Gromov-Wasserstein (GW) framework addresses this limitation but introduces a non-convex, computationally demanding optimization problem. In this work, we identify a broad class of distortion penalties that reduce to a simple alignment problem within a lifted feature space. Leveraging this insight, we introduce an iterative GW solver with a linear memory footprint and quadratic (rather than cubic) time complexity. Our method is differentiable, comes with strong theoretical guarantees, and scales to hundreds of thousands of points in minutes. This efficiency unlocks a wide range of geometric applications and enables the exploration of the GW energy landscape, whose local minima encode the symmetries of the matching problem.

Text-to-optimization requires two separable capabilities: modeling -- choosing the right optimization structure -- and binding -- grounding every coefficient, index, and parameter in the concrete problem data. We study this via Text2Opt-Bench, a scalable benchmark of solver-verified optimization problems spanning 12 categories, from textbook linear programs to stochastic and multi-objective formulations with up to thousands of variables. Across 10+ models, we find that accuracy collapses as instance data grows, even when the formulation itself is simple. We call this the effective binding limit. We address this via a simple inference-time approach, BIND, which externalizes numeric data to structured files so the model binds data programmatically rather than transcribing from the prompt. BIND improves GPT-5-Nano from 59.1% to 82.4% accuracy, matching pass@5 (82.0%) at lower token cost than pass@1, and GPT-5 from 86.2% to 95.8%. Furthermore, we validate our hypothesis by finetuning a model exclusively on binding and show that it outperforms end-to-end SFT and RL across three structurally distinct optimization categories, with a 1.5B binding specialist alone matching a 7B end-to-end baseline.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Checkpoint merging is a technique for combining multiple model snapshots into a single superior model, potentially reducing training time for large language models. This paper explores checkpoint merging in the context of parameter-efficient fine-tuning (PEFT), where only small adapter modules (e.g. LoRA) are trained. We propose Metrics-Weighted Averaging (MWA), a simple yet effective method to merge model checkpoints by weighting their parameters according to performance metrics. In particular, we investigate weighting by training loss and by training steps, under the intuition that lower-loss or later-step checkpoints are more valuable. We introduce a formula with a penalty factor to adjust weight distribution, requiring only one hyperparameter regardless of the number of checkpoints. Experiments on three fine-tuning tasks (mathematical reasoning, preference alignment, and general instruction tuning) show that MWA consistently produces merged models that outperform the naive uniform average of checkpoints. Notably, loss-weighted merging often yields the best results, delivering up to 5% higher task accuracy than the baseline uniform merge and even surpassing the final individual checkpoint's performance. These findings validate checkpoint merging for PEFT and demonstrate that a metric-driven weighting heuristic can efficiently boost model performance with minimal computational overhead.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

Sampling-based kinodynamic planners, such as Rapidly-exploring Random Trees (RRTs), pose two fundamental challenges: computing a reliable (pseudo-)metric for the distance between two randomly sampled nodes, and computing a steering input to connect the nodes. The core of these challenges is a Two Point Boundary Value Problem, which is known to be NP-hard. Recently, the distance metric has been approximated using supervised learning, reducing computation time drastically. The previous work on such learning RRTs use direct optimal control to generate the data for supervised learning. This paper proposes to use indirect optimal control instead, because it provides two benefits: it reduces the computational effort to generate the data, and it provides a low dimensional parametrization of the action space. The latter allows us to learn both the distance metric and the steering input to connect two nodes. This eliminates the need for a local planner in learning RRTs. Experimental results on a pendulum swing up show 10-fold speed-up in both the offline data generation and the online planning time, leading to at least a 10-fold speed-up in the overall planning time.

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.

This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies. DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems. The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality. It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers. The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems. The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.

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

Every call to an LLM classification endpoint produces a labeled input-output pair already retained in production logs. These pairs constitute a free, growing training set: a lightweight surrogate trained on them can absorb a significant portion of future traffic at near-zero marginal inference cost. The open questions are when the surrogate is reliable enough to deploy, what it handles versus defers, and how that boundary evolves as data accumulates. We introduce TRACER (Trace-based Adaptive Cost-Efficient Routing), an open-source system that trains ML surrogates on an LLM's own production traces and governs deployment through a parity gate: the surrogate is activated only when its agreement with the LLM exceeds a user-specified threshold α. To make the routing boundary transparent, TRACER generates interpretability artifacts describing which input regions the surrogate handles, where it plateaus, and why it defers. On a 77-class intent benchmark with a Sonnet 4.6 teacher, TRACER achieves 83-100% surrogate coverage depending on the quality target α; on a 150-class benchmark, the surrogate fully replaces the teacher. On a natural language inference task, the parity gate correctly refuses deployment because the embedding representation cannot support reliable separation. The system is available as open-source software.

Few-shot learning aims to transfer the knowledge acquired from training on a diverse set of tasks to unseen tasks from the same task distribution with a limited amount of labeled data. The underlying requirement for effective few-shot generalization is to learn a good representation of the task manifold. This becomes more difficult when only a limited number of tasks are available for training. In such a few-task few-shot setting, it is beneficial to explicitly preserve the local neighborhoods from the task manifold and exploit this to generate artificial tasks for training. To this end, we introduce the notion of interval bounds from the provably robust training literature to few-shot learning. The interval bounds are used to characterize neighborhoods around the training tasks. These neighborhoods can then be preserved by minimizing the distance between a task and its respective bounds. We then use a novel strategy to artificially form new tasks for training by interpolating between the available tasks and their respective interval bounds. We apply our framework to both model-agnostic meta-learning as well as prototype-based metric-learning paradigms. The efficacy of our proposed approach is evident from the improved performance on several datasets from diverse domains compared to current methods.

Lagrangian Relaxation (LR) is a powerful technique for solving large-scale Mixed Integer Linear Programming (MILP), particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of Data-driven Algorithm Design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of O(s^{1.5}/N) for the learned multipliers, where s is the number of coupling constraints and N is the sample size. Second, we provide a minimax lower-bound of Ω(s/N), proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that Stochastic Gradient Ascent (SGA) with averaging achieves the minimax optimal rate Θ(s/N). Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of Θ(s/N) and establishing a theoretical advantage over direct multiplier prediction.

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

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.

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

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.

The emergence of large language models (LLMs) has significantly pushed the frontiers of program synthesis. Advancement of LLM-based program synthesis calls for a thorough evaluation of LLM-generated code. Most evaluation frameworks focus on the (functional) correctness of generated code; efficiency, as an important measure of code quality, has been overlooked in existing evaluations. In this work, we develop ENAMEL (EfficeNcy AutoMatic EvaLuator), a rigorous and high-standard benchmark for evaluating the capability of LLMs in generating efficient code. Firstly, we propose a new efficiency metric called eff@k, which generalizes the pass@k metric from correctness to efficiency and appropriately handles right-censored execution time. Furthermore, we derive an unbiased and variance-reduced estimator of eff@k via Rao--Blackwellization; we also provide a numerically stable implementation for the new estimator. Secondly, to set a high-standard for efficiency evaluation, we employ a human expert to design best algorithms and implementations as our reference solutions of efficiency, many of which are much more efficient than existing canonical solutions in HumanEval and HumanEval+. Moreover, to ensure a rigorous evaluation, we employ a human expert to curate strong test case generators to filter out wrong code and differentiate suboptimal algorithms. An extensive study across 30 popular LLMs using our benchmark ENAMEL shows that LLMs still fall short of generating expert-level efficient code. Using two subsets of our problem set, we demonstrate that such deficiency is because current LLMs struggle in designing advanced algorithms and are barely aware of implementation optimization. Our benchmark is publicly available at https://github.com/q-rz/enamel .

Optimizer selection for large-scale model training has become a system-level design decision constrained jointly by compute, memory, tuning budget, and task diversity, yet the landscape of over one hundred methods remains fragmented. We therefore present OmniOpt, a unified survey and benchmark cookbook of optimizers for the research community. OmniOpt rests on four coupled components. First, we treat every optimizer update as a structured transformation through a five-stage meta-pipeline, and show that most methods engage only one or two of these stages. Second, we use norm-constrained linear minimization oracles (LMOs) to unify different optimizers. Third, these two views ground a dual-dimension taxonomy, one dimension assigning each method to a mechanism family and the other recording the measurable training objectives it aims to improve. Fourth, and at the core of this paper, we instantiate the full taxonomy in a unified cross-domain benchmark spanning representative optimizers, model scales, and training regimes from language model pretraining to image classification, systematically analyzing each method family across multiple effect objectives and laying out their trade-offs. OmniOpt thus supplies the research community with an operational coordinate system for selecting optimizers under explicit mechanism and objective assumptions, and charts a direction for the future development of the optimizer community.

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

We introduce a novel framework for analyzing sorting algorithms in pairwise ranking prompting (PRP), re-centering the cost model around LLM inferences rather than traditional pairwise comparisons. While classical metrics based on comparison counts have traditionally been used to gauge efficiency, our analysis reveals that expensive LLM inferences overturn these predictions; accordingly, our framework encourages strategies such as batching and caching to mitigate inference costs. We show that algorithms optimal in the classical setting can lose efficiency when LLM inferences dominate the cost under certain optimizations.

Resolving real-world software engineering (SWE) issues with autonomous agents requires complex, long-horizon reasoning. Current pipelines are bottlenecked by unoptimized demonstration data, sparse execution rewards, and computationally prohibitive inference scaling, which collectively exacerbate token bloat, reward hacking, and policy degradation. We present SWE-TRACE (Trajectory Reduction and Agentic Criteria Evaluation), a unified framework optimizing the SWE agent lifecycle across data curation, reinforcement learning (RL), and test-time inference. First, we introduce an LLM multi-task cascading method, utilizing stepwise oracle verification to distill a 60K-instance Supervised Fine-Tuning (SFT) corpus strictly biased toward token-efficient, shortest-path trajectories. Second, to overcome the instability of sparse outcome rewards, we design a MemoryAugmented Agentic RL pipeline featuring a Rubric-Based Process Reward Model (PRM). An auxiliary Rubric-Agent provides dense, fine-grained heuristic feedback on intermediate steps, guiding the model through long-horizon tasks. Finally, we bridge training and inference by repurposing the PRM for heuristic-guided Test-Time Scaling (TTS). By dynamically evaluating and pruning action candidates at each step, SWE-TRACE achieves superior search efficiency without the latency overhead of standard parallel sampling. Extensive experiments on standard SWE benchmarks demonstrate that SWE-TRACE significantly advances the state-of-the-art, maximizing resolution rates while drastically reducing both token consumption and inference latency.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

Can a single LLM-based optimization system match specialized tools across fundamentally different domains? We show that when optimization problems are formulated as improving a text artifact evaluated by a scoring function, a single AI-based optimization system-supporting single-task search, multi-task search with cross-problem transfer, and generalization to unseen inputs-achieves state-of-the-art results across six diverse tasks. Our system discovers agent architectures that nearly triple Gemini Flash's ARC-AGI accuracy (32.5% to 89.5%), finds scheduling algorithms that cut cloud costs by 40%, generates CUDA kernels where 87% match or beat PyTorch, and outperforms AlphaEvolve's reported circle packing solution (n=26). Ablations across three domains reveal that actionable side information yields faster convergence and substantially higher final scores than score-only feedback, and that multi-task search outperforms independent optimization given equivalent per-problem budget through cross-task transfer, with benefits scaling with the number of related tasks. Together, we show for the first time that text optimization with LLM-based search is a general-purpose problem-solving paradigm, unifying tasks traditionally requiring domain-specific algorithms under a single framework. We open-source optimize\_anything with support for multiple backends as part of the GEPA project at https://github.com/gepa-ai/gepa .

We present metrics for measuring state similarity in Markov decision processes (MDPs) with infinitely many states, including MDPs with continuous state spaces. Such metrics provide a stable quantitative analogue of the notion of bisimulation for MDPs, and are suitable for use in MDP approximation. We show that the optimal value function associated with a discounted infinite horizon planning task varies continuously with respect to our metric distances.

Traditional methods for automating recommender system design, such as Neural Architecture Search (NAS), are often constrained by a fixed search space defined by human priors, limiting innovation to pre-defined operators. While recent LLM-driven code evolution frameworks shift fixed search space target to open-ended program spaces, they primarily rely on scalar metrics (e.g., NDCG, Hit Ratio) that fail to provide qualitative insights into model failures or directional guidance for improvement. To address this, we propose Self-EvolveRec, a novel framework that establishes a directional feedback loop by integrating a User Simulator for qualitative critiques and a Model Diagnosis Tool for quantitative internal verification. Furthermore, we introduce a Diagnosis Tool - Model Co-Evolution strategy to ensure that evaluation criteria dynamically adapt as the recommendation architecture evolves. Extensive experiments demonstrate that Self-EvolveRec significantly outperforms state-of-the-art NAS and LLM-driven code evolution baselines in both recommendation performance and user satisfaction. Our code is available at https://github.com/Sein-Kim/self_evolverec.

Continual learning aims to acquire tasks sequentially without catastrophic forgetting, yet standard strategies face a core tradeoff: regularization-based methods (e.g., EWC) can overconstrain updates when task optima are weakly overlapping, while replay-based methods can retain performance but drift due to imperfect replay. We study a hybrid perspective: trust region continual learning that combines generative replay with a Fisher-metric trust region constraint. We show that, under local approximations, the resulting update admits a MAML-style interpretation with a single implicit inner step: replay supplies an old-task gradient signal (query-like), while the Fisher-weighted penalty provides an efficient offline curvature shaping (support-like). This yields an emergent meta-learning property in continual learning: the model becomes an initialization that rapidly re-converges to prior task optima after each task transition, without explicitly optimizing a bilevel objective. Empirically, on task-incremental diffusion image generation and continual diffusion-policy control, trust region continual learning achieves the best final performance and retention, and consistently recovers early-task performance faster than EWC, replay, and continual meta-learning baselines.

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

Data-driven algorithm design automates hyperparameter tuning, but its statistical foundations remain limited because model performance can depend on hyperparameters in implicit and highly non-smooth ways. Existing guarantees focus on the simple case of a one-dimensional (scalar) hyperparameter. This leaves the practically important, multi-dimensional hyperparameter tuning setting unresolved. We address this open question by establishing the first general framework for establishing generalization guarantees for tuning multi-dimensional hyperparameters in data-driven settings. Our approach strengthens the generalization guarantee framework for semi-algebraic function classes by exploiting tools from real algebraic geometry, yielding sharper, more broadly applicable guarantees. For completeness, we also instantiate the first lower bound for this general setting. We further extend the analysis to hyperparameter tuning using the validation loss under minimal assumptions, and derive improved bounds when additional structure is available. Finally, we demonstrate the scope of the framework with new learnability results, including data-driven weighted group lasso and weighted fused lasso.

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.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

We survey the large language model (LLM) serving area to understand the intricate dynamics between cost-efficiency and accuracy, which is magnified by the growing need for longer contextual understanding when deploying models at a massive scale. Our findings reveal that works in this space optimize along three distinct but conflicting goals: improving serving context length (C), improving serving accuracy (A), and improving serving performance (P). Drawing inspiration from the CAP theorem in databases, we propose a CAP principle for LLM serving, which suggests that any optimization can improve at most two of these three goals simultaneously. Our survey categorizes existing works within this framework. We find the definition and continuity of user-perceived measurement metrics are crucial in determining whether a goal has been met, akin to prior CAP databases in the wild. We recognize the CAP principle for LLM serving as a guiding principle, rather than a formal theorem, to inform designers of the inherent and dynamic trade-offs in serving models. As serving accuracy and performance have been extensively studied, this survey focuses on works that extend serving context length and address the resulting challenges.

To solve deep metric learning problems and producing feature embeddings, current methodologies will commonly use a triplet model to minimise the relative distance between samples from the same class and maximise the relative distance between samples from different classes. Though successful, the training convergence of this triplet model can be compromised by the fact that the vast majority of the training samples will produce gradients with magnitudes that are close to zero. This issue has motivated the development of methods that explore the global structure of the embedding and other methods that explore hard negative/positive mining. The effectiveness of such mining methods is often associated with intractable computational requirements. In this paper, we propose a novel deep metric learning method that combines the triplet model and the global structure of the embedding space. We rely on a smart mining procedure that produces effective training samples for a low computational cost. In addition, we propose an adaptive controller that automatically adjusts the smart mining hyper-parameters and speeds up the convergence of the training process. We show empirically that our proposed method allows for fast and more accurate training of triplet ConvNets than other competing mining methods. Additionally, we show that our method achieves new state-of-the-art embedding results for CUB-200-2011 and Cars196 datasets.

Topology optimization (TO) provides a principled mathematical approach for optimizing the performance of a structure by designing its material spatial distribution in a pre-defined domain and subject to a set of constraints. The majority of existing TO approaches leverage numerical solvers for design evaluations during the optimization and hence have a nested nature and rely on discretizing the design variables. Contrary to these approaches, herein we develop a new class of TO methods based on the framework of Gaussian processes (GPs) whose mean functions are parameterized via deep neural networks. Specifically, we place GP priors on all design and state variables to represent them via parameterized continuous functions. These GPs share a deep neural network as their mean function but have as many independent kernels as there are state and design variables. We estimate all the parameters of our model in a single for loop that optimizes a penalized version of the performance metric where the penalty terms correspond to the state equations and design constraints. Attractive features of our approach include (1) having a built-in continuation nature since the performance metric is optimized at the same time that the state equations are solved, and (2) being discretization-invariant and accommodating complex domains and topologies. To test our method against conventional TO approaches implemented in commercial software, we evaluate it on four problems involving the minimization of dissipated power in Stokes flow. The results indicate that our approach does not need filtering techniques, has consistent computational costs, and is highly robust against random initializations and problem setup.

Coding-agent benchmarks have largely measured whether agents can produce functionally correct patches, but production software also demands measurable speedups on real execution targets. Performance optimization is a distinct agentic task: agents must profile executions, diagnose cross-layer bottlenecks, edit code without breaking correctness, and verify that gains are reproducible rather than measurement artifacts. We introduce PERFOPT-Bench, a benchmark for evaluating this full performance-engineering loop. Each task provides a correct but deliberately suboptimal codebase and asks the agent to improve a target performance metric; scoring requires hidden correctness tests, verified-speedup measurement, and trajectory-level audit. We evaluate 7 agent stacks with different LLMs and agent frameworks on 7 long-horizon optimization tasks. The results show that optimization performance is workload-dependent rather than determined by model identity alone: no single stack dominates, and changing the agent framework can materially change the same LLM's per-task speedup profile. We further find that raw speedup is unsafe as a benchmark score, since some large gains arise from benchmark-specific shortcut exploitation; an exploratory relay pilot suggests that restarting from an externalized optimization summary can recover additional headroom after an initial session stops. The benchmark and our evaluation are available at: https://anonymous.4open.science/r/Dataset-D3CC.