Daily Papers

Multimodal large language models (MLLMs) enable powerful cross-modal reasoning capabilities. However, the expanded input space introduces new attack surfaces. Previous jailbreak attacks often inject malicious instructions from text into less aligned modalities, such as vision. As MLLMs increasingly incorporate cross-modal consistency and alignment mechanisms, such explicit attacks become easier to detect and block. In this work, we propose a novel implicit jailbreak framework termed IJA that stealthily embeds malicious instructions into images via least significant bit steganography and couples them with seemingly benign, image-related textual prompts. To further enhance attack effectiveness across diverse MLLMs, we incorporate adversarial suffixes generated by a surrogate model and introduce a template optimization module that iteratively refines both the prompt and embedding based on model feedback. On commercial models like GPT-4o and Gemini-1.5 Pro, our method achieves attack success rates of over 90% using an average of only 3 queries.

Group Relative Policy Optimization (GRPO) has proven to be an effective tool for post-training language models (LMs). However, AI systems are increasingly expressed as modular programs that mix together multiple LM calls with distinct prompt templates and other tools, and it is not clear how best to leverage GRPO to improve these systems. We begin to address this challenge by defining mmGRPO, a simple multi-module generalization of GRPO that groups LM calls by module across rollouts and handles variable-length and interrupted trajectories. We find that mmGRPO, composed with automatic prompt optimization, improves accuracy by 11% on average across classification, many-hop search, and privacy-preserving delegation tasks against the post-trained LM, and by 5% against prompt optimization on its own. We open-source mmGRPO in DSPy as the dspy.GRPO optimizer.

The rapid advancement of large language models (LLMs) such as GPT-3, PaLM, and Llama has significantly transformed natural language processing, showcasing remarkable capabilities in understanding and generating language. However, these models often struggle with tasks requiring complex reasoning, particularly in mathematical problem-solving, due in part to the scarcity of large-scale, high-quality, domain-specific datasets necessary for training sophisticated reasoning abilities. To address this limitation, we introduce Template-based Data Generation (TDG), a novel approach that leverages LLMs (GPT-4) to automatically generate parameterized meta-templates, which are then used to synthesize a vast array of high-quality problems and solutions. Leveraging TDG, we create TemplateMath Part I: TemplateGSM, a dataset comprising over 7 million synthetically generated grade school math problems--each accompanied by code-based and natural language solutions--with the potential to generate an effectively unlimited number more. This dataset alleviates the scarcity of large-scale mathematical datasets and serves as a valuable resource for pre-training, fine-tuning, and evaluating LLMs in mathematical reasoning. Our method not only enables the generation of virtually infinite data but also elevates data augmentation to a new level by using GPT-4 for meta-template generation, ensuring diverse and high-quality problem structures. The TemplateMath Part I: TemplateGSM dataset is publicly available at https://huggingface.co/datasets/math-ai/TemplateGSM. The code is available at https://github.com/iiis-ai/TemplateMath.

Language Model Programs, i.e. sophisticated pipelines of modular language model (LM) calls, are increasingly advancing NLP tasks, but they require crafting prompts that are jointly effective for all modules. We study prompt optimization for LM programs, i.e. how to update these prompts to maximize a downstream metric without access to module-level labels or gradients. To make this tractable, we factorize our problem into optimizing the free-form instructions and few-shot demonstrations of every module and introduce several strategies to craft task-grounded instructions and navigate credit assignment across modules. Our strategies include (i) program- and data-aware techniques for proposing effective instructions, (ii) a stochastic mini-batch evaluation function for learning a surrogate model of our objective, and (iii) a meta-optimization procedure in which we refine how LMs construct proposals over time. Using these insights we develop MIPRO, a novel algorithm for optimizing LM programs. MIPRO outperforms baseline optimizers on five of seven diverse multi-stage LM programs using a best-in-class open-source model (Llama-3-8B), by as high as 13% accuracy. We have released our new optimizers and benchmark in DSPy at http://dspy.ai

Current multimodal language models (MLMs) evaluation and training approaches overlook the influence of instruction format, presenting an elephant-in-the-room problem. Previous research deals with this problem by manually crafting instructions, failing to yield significant insights due to limitations in diversity and scalability. In this work, we propose a programmatic instruction template generator capable of producing over 39B unique template combinations by filling randomly sampled positional synonyms into weighted sampled meta templates, enabling us to comprehensively examine the MLM's performance across diverse instruction templates. Our experiments across eight common MLMs on five benchmark datasets reveal that MLMs have high template sensitivities with at most 29% performance gaps between different templates. We further augment the instruction tuning dataset of LLaVA-1.5 with our template generator and perform instruction tuning on LLaVA-1.5-7B and LLaVA-1.5-13B. Models tuned on our augmented dataset achieve the best overall performance when compared with the same scale MLMs tuned on at most 75 times the scale of our augmented dataset, highlighting the importance of instruction templates in MLM training. The code is available at https://github.com/shijian2001/TemplateMatters .

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.

In the realm of Large Language Models (LLMs), prompt optimization is crucial for model performance. Although previous research has explored aspects like rephrasing prompt contexts, using various prompting techniques (like in-context learning and chain-of-thought), and ordering few-shot examples, our understanding of LLM sensitivity to prompt templates remains limited. Therefore, this paper examines the impact of different prompt templates on LLM performance. We formatted the same contexts into various human-readable templates, including plain text, Markdown, JSON, and YAML, and evaluated their impact across tasks like natural language reasoning, code generation, and translation using OpenAI's GPT models. Experiments show that GPT-3.5-turbo's performance varies by up to 40\% in a code translation task depending on the prompt template, while larger models like GPT-4 are more robust to these variations. Our analysis highlights the need to reconsider the use of fixed prompt templates, as different formats can significantly affect model performance.

We develop a learning framework for building deformable templates, which play a fundamental role in many image analysis and computational anatomy tasks. Conventional methods for template creation and image alignment to the template have undergone decades of rich technical development. In these frameworks, templates are constructed using an iterative process of template estimation and alignment, which is often computationally very expensive. Due in part to this shortcoming, most methods compute a single template for the entire population of images, or a few templates for specific sub-groups of the data. In this work, we present a probabilistic model and efficient learning strategy that yields either universal or conditional templates, jointly with a neural network that provides efficient alignment of the images to these templates. We demonstrate the usefulness of this method on a variety of domains, with a special focus on neuroimaging. This is particularly useful for clinical applications where a pre-existing template does not exist, or creating a new one with traditional methods can be prohibitively expensive. Our code and atlases are available online as part of the VoxelMorph library at http://voxelmorph.csail.mit.edu.

Current analysis of additive manufactured niobium-based copper alloys relies on hand annotation due to varying contrast, noise, and image artifacts present in micrographs, slowing iteration speed in alloy development. We present a filtering and segmentation algorithm for detecting precipitates in FIB cross-section micrographs, optimized using linear genetic programming (LGP), which accounts for the various artifacts. To this end, the optimization environment uses a domain-specific language for image processing to iterate on solutions. Programs in this language are a list of image-filtering blocks with tunable parameters that sequentially process an input image, allowing for reliable generation and mutation by a genetic algorithm. Our environment produces optimized human-interpretable MATLAB code representing an image filtering pipeline. Under ideal conditions--a population size of 60 and a maximum program length of 5 blocks--our system was able to find a near-human accuracy solution with an average evaluation error of 1.8% when comparing segmentations pixel-by-pixel to a human baseline using an XOR error evaluation. Our automation work enabled faster iteration cycles and furthered exploration of the material composition and processing space: our optimized pipeline algorithm processes a 3.6 megapixel image in about 2 seconds on average. This ultimately enables convergence on strong, low-activation, precipitation hardened copper alloys for additive manufactured fusion reactor parts.

Large language models demonstrate a remarkable capability for learning to solve new tasks from a few examples. The prompt template, or the way the input examples are formatted to obtain the prompt, is an important yet often overlooked aspect of in-context learning. In this work, we conduct a comprehensive study of the template format's influence on the in-context learning performance. We evaluate the impact of the prompt template across models (from 770M to 70B parameters) and 4 standard classification datasets. We show that a poor choice of the template can reduce the performance of the strongest models and inference methods to a random guess level. More importantly, the best templates do not transfer between different setups and even between models of the same family. Our findings show that the currently prevalent approach to evaluation, which ignores template selection, may give misleading results due to different templates in different works. As a first step towards mitigating this issue, we propose Template Ensembles that aggregate model predictions across several templates. This simple test-time augmentation boosts average performance while being robust to the choice of random set of templates.

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

The ML community is rapidly exploring techniques for prompting language models (LMs) and for stacking them into pipelines that solve complex tasks. Unfortunately, existing LM pipelines are typically implemented using hard-coded "prompt templates", i.e. lengthy strings discovered via trial and error. Toward a more systematic approach for developing and optimizing LM pipelines, we introduce DSPy, a programming model that abstracts LM pipelines as text transformation graphs, i.e. imperative computational graphs where LMs are invoked through declarative modules. DSPy modules are parameterized, meaning they can learn (by creating and collecting demonstrations) how to apply compositions of prompting, finetuning, augmentation, and reasoning techniques. We design a compiler that will optimize any DSPy pipeline to maximize a given metric. We conduct two case studies, showing that succinct DSPy programs can express and optimize sophisticated LM pipelines that reason about math word problems, tackle multi-hop retrieval, answer complex questions, and control agent loops. Within minutes of compiling, a few lines of DSPy allow GPT-3.5 and llama2-13b-chat to self-bootstrap pipelines that outperform standard few-shot prompting (generally by over 25% and 65%, respectively) and pipelines with expert-created demonstrations (by up to 5-46% and 16-40%, respectively). On top of that, DSPy programs compiled to open and relatively small LMs like 770M-parameter T5 and llama2-13b-chat are competitive with approaches that rely on expert-written prompt chains for proprietary GPT-3.5. DSPy is available at https://github.com/stanfordnlp/dspy

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While there has been substantial progress in BO methods, striking this balance remains a delicate process. In this light, we present LLAMBO, a novel approach that integrates the capabilities of Large Language Models (LLM) within BO. At a high level, we frame the BO problem in natural language, enabling LLMs to iteratively propose and evaluate promising solutions conditioned on historical evaluations. More specifically, we explore how combining contextual understanding, few-shot learning proficiency, and domain knowledge of LLMs can improve model-based BO. Our findings illustrate that LLAMBO is effective at zero-shot warmstarting, and enhances surrogate modeling and candidate sampling, especially in the early stages of search when observations are sparse. Our approach is performed in context and does not require LLM finetuning. Additionally, it is modular by design, allowing individual components to be integrated into existing BO frameworks, or function cohesively as an end-to-end method. We empirically validate LLAMBO's efficacy on the problem of hyperparameter tuning, highlighting strong empirical performance across a range of diverse benchmarks, proprietary, and synthetic tasks.

While model serving has unlocked unprecedented capabilities, the high cost of serving large-scale models continues to be a significant barrier to widespread accessibility and rapid innovation. Compiler optimizations have long driven substantial performance improvements, but existing compilers struggle with neural workloads due to the exponentially large and highly interdependent space of possible transformations. Although existing stochastic search techniques can be effective, they are often sample-inefficient and fail to leverage the structural context underlying compilation decisions. We set out to investigate the research question of whether reasoning with large language models (LLMs), without any retraining, can leverage the context-aware decision space of compiler optimizations to significantly improve sample efficiency. To that end, we introduce a novel compilation framework (dubbed REASONING COMPILER) that formulates optimization as a sequential, context-aware decision process guided by a large language model and structured Monte Carlo tree search (MCTS). The LLM acts as a proposal mechanism, suggesting hardware-informed transformations that reflect the current program state and accumulated performance feedback. MCTS incorporates the LLM-generated proposals to balance exploration and exploitation, facilitating a structured, context-sensitive traversal of the expansive compiler optimization space. By achieving substantial speedups with markedly fewer samples than leading neural compilers, our approach demonstrates the potential of LLM-guided reasoning to transform the landscape of compiler optimization.

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

We present JAttack, a framework that enables template-based testing for compilers. Using JAttack, a developer writes a template program that describes a set of programs to be generated and given as test inputs to a compiler. Such a framework enables developers to incorporate their domain knowledge on testing compilers, giving a basic program structure that allows for exploring complex programs that can trigger sophisticated compiler optimizations. A developer writes a template program in the host language (Java) that contains holes to be filled by JAttack. Each hole, written using a domain-specific language, constructs a node within an extended abstract syntax tree (eAST). An eAST node defines the search space for the hole, i.e., a set of expressions and values. JAttack generates programs by executing templates and filling each hole by randomly choosing expressions and values (available within the search space defined by the hole). Additionally, we introduce several optimizations to reduce JAttack's generation cost. While JAttack could be used to test various compiler features, we demonstrate its capabilities in helping test just-in-time (JIT) Java compilers, whose optimizations occur at runtime after a sufficient number of executions. Using JAttack, we have found six critical bugs that were confirmed by Oracle developers. Four of them were previously unknown, including two unknown CVEs (Common Vulnerabilities and Exposures). JAttack shows the power of combining developers' domain knowledge (via templates) with random testing to detect bugs in JIT compilers.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

Bayesian optimization provides sample-efficient global optimization for a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. We introduce BoTorch, a modern programming framework for Bayesian optimization that combines Monte-Carlo (MC) acquisition functions, a novel sample average approximation optimization approach, auto-differentiation, and variance reduction techniques. BoTorch's modular design facilitates flexible specification and optimization of probabilistic models written in PyTorch, simplifying implementation of new acquisition functions. Our approach is backed by novel theoretical convergence results and made practical by a distinctive algorithmic foundation that leverages fast predictive distributions, hardware acceleration, and deterministic optimization. We also propose a novel "one-shot" formulation of the Knowledge Gradient, enabled by a combination of our theoretical and software contributions. In experiments, we demonstrate the improved sample efficiency of BoTorch relative to other popular libraries.

Large language models (LLMs) are increasingly used in learning algorithms, evaluations, and optimization tasks. Recent studies have shown that using LLM-based optimizers to automatically optimize model prompts, demonstrations, predictions themselves, or other components can significantly enhance the performance of AI systems, as demonstrated by frameworks such as DSPy and TextGrad. However, optimizers built on language models themselves are usually designed by humans with manual design choices; optimizers themselves are not optimized. Moreover, these optimizers are general purpose by design, to be useful to a broad audience, and are not tailored for specific tasks. To address these challenges, we propose metaTextGrad, which focuses on designing a meta-optimizer to further enhance existing optimizers and align them to be good optimizers for a given task. Our approach consists of two key components: a meta prompt optimizer and a meta structure optimizer. The combination of these two significantly improves performance across multiple benchmarks, achieving an average absolute performance improvement of up to 6% compared to the best baseline.

Large Language Models (LLMs) perform best with well-crafted prompts, yet prompt engineering remains manual, inconsistent, and inaccessible to non-experts. We introduce Promptomatix, an automatic prompt optimization framework that transforms natural language task descriptions into high-quality prompts without requiring manual tuning or domain expertise. Promptomatix supports both a lightweight meta-prompt-based optimizer and a DSPy-powered compiler, with modular design enabling future extension to more advanced frameworks. The system analyzes user intent, generates synthetic training data, selects prompting strategies, and refines prompts using cost-aware objectives. Evaluated across 5 task categories, Promptomatix achieves competitive or superior performance compared to existing libraries, while reducing prompt length and computational overhead making prompt optimization scalable and efficient.

CLAX is a JAX-based library that implements classic click models using modern gradient-based optimization. While neural click models have emerged over the past decade, complex click models based on probabilistic graphical models (PGMs) have not systematically adopted gradient-based optimization, preventing practitioners from leveraging modern deep learning frameworks while preserving the interpretability of classic models. CLAX addresses this gap by replacing EM-based optimization with direct gradient-based optimization in a numerically stable manner. The framework's modular design enables the integration of any component, from embeddings and deep networks to custom modules, into classic click models for end-to-end optimization. We demonstrate CLAX's efficiency by running experiments on the full Baidu-ULTR dataset comprising over a billion user sessions in approx 2 hours on a single GPU, orders of magnitude faster than traditional EM approaches. CLAX implements ten classic click models, serving both industry practitioners seeking to understand user behavior and improve ranking performance at scale and researchers developing new click models. CLAX is available at: https://github.com/philipphager/clax

The scale of large pre-trained models (PTMs) poses significant challenges in adapting to downstream tasks due to the high optimization overhead and storage costs associated with full-parameter fine-tuning. To address this, many studies explore parameter-efficient tuning methods, also framed as "delta tuning", which updates only a small subset of parameters, known as "delta modules", while keeping the backbone model's parameters fixed. However, the practicality and flexibility of delta tuning have been limited due to existing implementations that directly modify the code of the backbone PTMs and hard-code specific delta tuning methods for each PTM. In this paper, we present OpenDelta, an open-source library that overcomes these limitations by providing a plug-and-play implementation of various delta tuning methods. Our novel techniques eliminate the need to modify the backbone PTMs' code, making OpenDelta compatible with different, even novel PTMs. OpenDelta is designed to be simple, modular, and extensible, providing a comprehensive platform for researchers and practitioners to adapt large PTMs efficiently.

In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting more closely mirrors complex real-world problems compared to single-objective optimization. Recent works mainly employ evolutionary algorithms and Bayesian optimization, with limited attention given to the generative modeling capabilities inherent in such data. In this study, we explore generative modeling in offline MOO through flow matching, noted for its effectiveness and efficiency. We introduce ParetoFlow, specifically designed to guide flow sampling to approximate the Pareto front. Traditional predictor (classifier) guidance is inadequate for this purpose because it models only a single objective. In response, we propose a multi-objective predictor guidance module that assigns each sample a weight vector, representing a weighted distribution across multiple objective predictions. A local filtering scheme is introduced to address non-convex Pareto fronts. These weights uniformly cover the entire objective space, effectively directing sample generation towards the Pareto front. Since distributions with similar weights tend to generate similar samples, we introduce a neighboring evolution module to foster knowledge sharing among neighboring distributions. This module generates offspring from these distributions, and selects the most promising one for the next iteration. Our method achieves state-of-the-art performance across various tasks.

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

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

Recent work has explored optimizing image signal processing (ISP) pipelines for various tasks by composing predefined modules and adapting them to task-specific objectives. However, jointly optimizing module sequences and parameters remains challenging. Existing approaches rely on neural architecture search (NAS) or step-wise reinforcement learning (RL), but NAS suffers from a training-inference mismatch, while step-wise RL leads to unstable training and high computational overhead due to stage-wise decision-making. We propose POS-ISP, a sequence-level RL framework that formulates modular ISP optimization as a global sequence prediction problem. Our method predicts the entire module sequence and its parameters in a single forward pass and optimizes the pipeline using a terminal task reward, eliminating the need for intermediate supervision and redundant executions. Experiments across multiple downstream tasks show that POS-ISP improves task performance while reducing computational cost, highlighting sequence-level optimization as a stable and efficient paradigm for task-aware ISP. The project page is available at https://w1jyun.github.io/POS-ISP

As the cost of code generation becomes cheaper with AI, the new bottleneck in software engineering has shifted to intent specification and validation. Overcoming this durability crisis of AI-driven coding requires more than traditional fuzzing: each candidate property must be proven correct over a model and shown to hold on the real implementation, making formal proof and systematic property-based testing (PBT) complementary. However, validating properties this way at scale requires solving two subproblems: verifying candidate properties and operationalizing PBT without AI hallucination. We hypothesize that recurring property patterns, cast as property templates--abstract, parameterized forms with holes--address both at once. This paper investigates recurring property patterns in Apache Spark. In data-intensive scalable computing systems, correctness properties arise from the principles of data partition, computation decomposition, and dataflow computation. For instance, aggregation decomposition relates a global function executed on the entire dataset to a local function followed by a recombiner. We design an agentic, dual-track validation framework that uses property templates to formally verify correctness in the Lean 4 theorem prover and instantiate PBT templates as executable PySpark tests. Our evaluation shows that property templates increase agentic proof engineering success by up to 2.6x (1.6x on average) and reduce proof hallucinations by 59%. Template-guided PBT synthesis reduces intent misalignments from 22 to 1 and cuts synthesis cost by up to 5.7x (3.8x on average). Template-guided synthesis further exceeds a state-of-the-art Spark fuzzer and approaches unguided LLM-based PBT on code coverage. Finally, comparing the two tracks is informative: when a proof succeeds yet a PBT finds a counterexample, the mismatch identifies a gap between the formal model and implementation.

This article reviews modern optimization methods for training neural networks with an emphasis on efficiency and scale. We present state-of-the-art optimization algorithms under a unified algorithmic template that highlights the importance of adapting to the structures in the problem. We then cover how to make these algorithms agnostic to the scale of the problem. Our exposition is intended as an introduction for both practitioners and researchers who wish to be involved in these exciting new developments.

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.

Interest in applying Artificial Intelligence (AI) techniques to compiler optimizations is increasing rapidly, but compiler research has a high entry barrier. Unlike in other domains, compiler and AI researchers do not have access to the datasets and frameworks that enable fast iteration and development of ideas, and getting started requires a significant engineering investment. What is needed is an easy, reusable experimental infrastructure for real world compiler optimization tasks that can serve as a common benchmark for comparing techniques, and as a platform to accelerate progress in the field. We introduce CompilerGym, a set of environments for real world compiler optimization tasks, and a toolkit for exposing new optimization tasks to compiler researchers. CompilerGym enables anyone to experiment on production compiler optimization problems through an easy-to-use package, regardless of their experience with compilers. We build upon the popular OpenAI Gym interface enabling researchers to interact with compilers using Python and a familiar API. We describe the CompilerGym architecture and implementation, characterize the optimization spaces and computational efficiencies of three included compiler environments, and provide extensive empirical evaluations. Compared to prior works, CompilerGym offers larger datasets and optimization spaces, is 27x more computationally efficient, is fault-tolerant, and capable of detecting reproducibility bugs in the underlying compilers. In making it easy for anyone to experiment with compilers - irrespective of their background - we aim to accelerate progress in the AI and compiler research domains.

We consider a family of convex quadratic programs in which the coefficients of the linear objective term and the righthand side of the constraints are affine functions of a parameter. It is well known that the solution of such a parametrized quadratic program is a piecewise affine function of the parameter. The number of (polyhedral) regions in the solution map can grow exponentially in problem size, but when the number of regions is moderate, a so-called explicit solver is practical. Such a solver computes the coefficients of the affine functions and the linear inequalities defining the polyhedral regions offline; to solve a problem instance online it simply evaluates this explicit solution map. Potential advantages of an explicit solver over a more general purpose iterative solver can include transparency, interpretability, reliability, and speed. In this paper we describe how code generation can be used to automatically generate an explicit solver from a high level description of a parametrized quadratic program. Our method has been implemented in the open-source software CVXPYgen, which is part of CVXPY, a domain specific language for general convex optimization.

With the advent of large language models (LLMs) like GPT-3, a natural question is the extent to which these models can be utilized for source code optimization. This paper presents methodologically stringent case studies applied to well-known open source python libraries pillow and numpy. We find that contemporary LLM ChatGPT-4 (state September and October 2023) is surprisingly adept at optimizing energy and compute efficiency. However, this is only the case in interactive use, with a human expert in the loop. Aware of experimenter bias, we document our qualitative approach in detail, and provide transcript and source code. We start by providing a detailed description of our approach in conversing with the LLM to optimize the _getextrema function in the pillow library, and a quantitative evaluation of the performance improvement. To demonstrate qualitative replicability, we report further attempts on another locus in the pillow library, and one code locus in the numpy library, to demonstrate generalization within and beyond a library. In all attempts, the performance improvement is significant (factor up to 38). We have also not omitted reporting of failed attempts (there were none). We conclude that LLMs are a promising tool for code optimization in open source libraries, but that the human expert in the loop is essential for success. Nonetheless, we were surprised by how few iterations were required to achieve substantial performance improvements that were not obvious to the expert in the loop. We would like bring attention to the qualitative nature of this study, more robust quantitative studies would need to introduce a layer of selecting experts in a representative sample -- we invite the community to collaborate.

The advancement of machine learning for compiler optimization, particularly within the polyhedral model, is constrained by the scarcity of large-scale, public performance datasets. This data bottleneck forces researchers to undertake costly data generation campaigns, slowing down innovation and hindering reproducible research learned code optimization. To address this gap, we introduce LOOPerSet, a new public dataset containing 28 million labeled data points derived from 220,000 unique, synthetically generated polyhedral programs. Each data point maps a program and a complex sequence of semantics-preserving transformations (such as fusion, skewing, tiling, and parallelism)to a ground truth performance measurement (execution time). The scale and diversity of LOOPerSet make it a valuable resource for training and evaluating learned cost models, benchmarking new model architectures, and exploring the frontiers of automated polyhedral scheduling. The dataset is released under a permissive license to foster reproducible research and lower the barrier to entry for data-driven compiler optimization.

Recent Long-Context Language Models (LCLMs) can process hundreds of thousands of tokens in a single prompt, enabling new opportunities for knowledge-intensive multi-hop reasoning by integrating large sets of retrieved documents or, in some cases, directly all necessary information. However, simply feeding more documents into the context window fails to capture how evidence should be connected. We address this gap with thought templates, which recast reasoning as reusable thought caches, derived from prior problem solving traces, structuring how evidence is combined and guiding multi-hop inference with factual documents. To keep these templates effective, we propose an update strategy that iteratively refines templates derived from training data through natural-language feedback. Across diverse benchmarks and LCLM families, our approach delivers consistent gains over strong baselines in both retrieval-based and retrieval-free settings. Furthermore, we show that optimized templates can be distilled into smaller open-source models, demonstrating its broad applicability and transparent reasoning reuse. We refer to our framework as Thought Template Augmented LCLMs (ToTAL).

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.

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.

We present Universal Conditional Logic (UCL), a mathematical framework for prompt optimization that transforms prompt engineering from heuristic practice into systematic optimization. Through systematic evaluation (N=305, 11 models, 4 iterations), we demonstrate significant token reduction (29.8%, t(10)=6.36, p < 0.001, Cohen's d = 2.01) with corresponding cost savings. UCL's structural overhead function O_s(A) explains version-specific performance differences through the Over-Specification Paradox: beyond threshold S* = 0.509, additional specification degrades performance quadratically. Core mechanisms -- indicator functions (I_i in {0,1}), structural overhead (O_s = gamma * sum(ln C_k)), early binding -- are validated. Notably, optimal UCL configuration varies by model architecture -- certain models (e.g., Llama 4 Scout) require version-specific adaptations (V4.1). This work establishes UCL as a calibratable framework for efficient LLM interaction, with model-family-specific optimization as a key research direction.

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

Discrete text-trigger optimization -- searching for text sequences that, when ingested by a model, steer it toward a specified objective -- underpins model red-teaming (e.g., LLM jailbreaks), as well as auditing and interpretability. However, the current state of discrete optimizers hinders their adoption and progress. First, existing optimizers, when open-sourced at all, are scattered across research codebases tied to specific models, objectives, and problem domains. Second, optimizer variants proliferate, each requiring engineering overhead to use or extend, and remaining hard to compare head-to-head. Together, these raise the bar for adopting optimizers in existing or new domains, and for advancing them via new strategies. We address these gaps with TROPT, the first open-source framework that unifies discrete optimizers' execution and standardizes their development under a single interface. TROPT makes it easy to customize end-to-end optimization recipes by swapping any component -- models, objectives, and optimizers -- extending its reach across domains and new applications. TROPT currently ships with 30+ optimization recipes -- covering applications such as jailbreaking and probing model internals -- built from 15+ optimizers (spanning white-box to black-box access) and 15+ losses, from foundational to state-of-the-art methods. Demonstrating its utility, we leverage TROPT in several studies: (i) controlled, large-scale experiments comparing and enhancing optimization strategies for LLM jailbreaks, revealing potent-yet-underadopted techniques; and (ii) porting optimizers from one domain (e.g., LLM jailbreak) to new domains (e.g., corpus-poisoning embedding model). In all, TROPT significantly lowers the barrier to adopting and advancing discrete text optimization.

Solving tabular math word problems (TMWPs) has become a critical role in evaluating the mathematical reasoning ability of large language models (LLMs), where large-scale TMWP samples are commonly required for LLM fine-tuning. Since the collection of high-quality TMWP datasets is costly and time-consuming, recent research has concentrated on automatic TMWP generation. However, current generated samples usually suffer from issues of either correctness or diversity. In this paper, we propose a Template-driven LLM-paraphrased (TeLL) framework for generating high-quality TMWP samples with diverse backgrounds and accurate tables, questions, answers, and solutions. To this end, we first extract templates from existing real samples to generate initial problems, ensuring correctness. Then, we adopt an LLM to extend templates and paraphrase problems, obtaining diverse TMWP samples. Furthermore, we find the reasoning annotation is important for solving TMWPs. Therefore, we propose to enrich each solution with illustrative reasoning steps. Through the proposed framework, we construct a high-quality dataset TabMWP-TeLL by adhering to the question types in the TabMWP dataset, and we conduct extensive experiments on a variety of LLMs to demonstrate the effectiveness of TabMWP-TeLL in improving TMWP solving performance. The code and data of this paper are available at: https://github.com/Jason8Kang/TELL.

Template mining is one of the foundational tasks to support log analysis, which supports the diagnosis and troubleshooting of large scale Web applications. This paper develops a human-in-the-loop template mining framework to support interactive log analysis, which is highly desirable in real-world diagnosis or troubleshooting of Web applications but yet previous template mining algorithms fails to support it. We formulate three types of light-weight user feedbacks and based on them we design three atomic human-in-the-loop template mining algorithms. We derive mild conditions under which the outputs of our proposed algorithms are provably correct. We also derive upper bounds on the computational complexity and query complexity of each algorithm. We demonstrate the versatility of our proposed algorithms by combining them to improve the template mining accuracy of five representative algorithms over sixteen widely used benchmark datasets.

Diffusion Language Models (DLMs) have emerged as a promising alternative to Autoregressive Language Models, yet their inference strategies remain limited to prefix-based prompting inherited from the autoregressive paradigm. In this paper, we propose Template Infilling (TI), a tailored conditioning methodology for DLMs. Unlike conventional prefix prompting, TI flexibly aligns structural anchors across the entire target response space, establishing a global blueprint before filling in the masked segments. We demonstrate the effectiveness of our approach on diverse benchmarks, including mathematical reasoning, code generation, and trip planning, achieving consistent improvements of 9.40% over the baseline. Furthermore, we observe that TI provides additional advantages in multi-token generation settings, enabling effective speedup while maintaining generation quality and robustness. By enforcing these global constraints, TI ultimately facilitates System-2 reasoning, empowering the model to deliberate within a structurally defined solution space.

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.

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.

Any optimization algorithm programming interface can be seen as a black-box function with additional free parameters. In this spirit, simulated annealing (SA) can be implemented in pseudo-code within the dimensions of a single slide with free parameters relating to the annealing schedule. Such an implementation, however, necessarily neglects much of the structure necessary to take advantage of advances in computing resources and algorithmic breakthroughs. Simulated annealing is often introduced in myriad disciplines, from discrete examples like the Traveling Salesman Problem (TSP) to molecular cluster potential energy exploration or even explorations of a protein's configurational space. Theoretical guarantees also demand a stricter structure in terms of statistical quantities, which cannot simply be left to the user. We will introduce several standard paradigms and demonstrate how these can be "lifted" into a unified framework using object-oriented programming in Python. We demonstrate how clean, interoperable, reproducible programming libraries can be used to access and rapidly iterate on variants of Simulated Annealing in a manner which can be extended to serve as a best practices blueprint or design pattern for a data-driven optimization library.

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.

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

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 .

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.

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

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.

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

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

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

While polyhedral compilers have shown success in implementing advanced code transformations, they still face challenges in selecting the ones that lead to the most profitable speedups. This has motivated the use of machine learning based cost models to guide the search for polyhedral optimizations. State-of-the-art polyhedral compilers have demonstrated a viable proof-of-concept of such an approach. While promising, this approach still faces significant limitations. State-of-the-art polyhedral compilers that use a deep learning cost model only support a small subset of affine transformations, limiting their ability to explore complex code transformations. Furthermore, their applicability does not scale beyond simple programs, thus excluding many program classes from their scope, such as those with non-rectangular iteration domains or multiple loop nests. These limitations significantly impact the generality of such compilers and autoschedulers and put into question the whole approach. In this paper, we introduce LOOPer, the first polyhedral autoscheduler that uses a deep learning based cost model and covers a large space of affine transformations and programs. LOOPer allows the optimization of an extensive set of programs while being effective at applying complex sequences of polyhedral transformations. We implement and evaluate LOOPer and show that it achieves competitive speedups over the state-of-the-art. On the PolyBench benchmarks, LOOPer achieves a geometric mean speedup of 1.84x over Tiramisu and 1.42x over Pluto, two state-of-the-art polyhedral autoschedulers.

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

We present Metal-Sci, a 10-task benchmark of scientific Apple Silicon Metal compute kernels spanning six optimization regimes (stencils, all-pairs in n-body problems, multi-field Boltzmann, neighbor-list molecular dynamics, multi-kernel PDE, FFT). Each task ships a CPU reference, a roofline-anchored fitness function, and a held-out generalization size. We pair the benchmark with a lightweight harness for automatic kernel search that runtime-compiles each candidate, scores it against the roofline across multiple sizes, and feeds structured compile and per-size correctness diagnostics back to a frozen LLM driving a (1{+}1) evolutionary loop. We report matched single-model sweeps of Claude Opus 4.7, Gemini 3.1 Pro, and GPT 5.5 on M1 Pro: in-distribution self-speedups span 1.00times to 10.7times. Beyond raw speedup, our central methodological claim is structural: the held-out gate scoring function Φ_T (evaluated once at end-of-run on a configuration the agent never sees during search) functions as a cheap mechanical oversight primitive on this automatic search loop, catching e.g. an Opus template <uint D> HMC win that returns wrong samples at unseen dimensions, and a GPT FFT3D best that wins in-distribution at 2.95times speedup but collapses to 0.23times on a 256^3 held-out cube, a silent regression that the in-distribution score alone cannot see. Code at https://github.com/vicgalle/metal-sci-kernels

Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of thumb, or sometimes brute-force search. Much more appealing is the idea of developing automatic approaches which can optimize the performance of a given learning algorithm to the task at hand. In this work, we consider the automatic tuning problem within the framework of Bayesian optimization, in which a learning algorithm's generalization performance is modeled as a sample from a Gaussian process (GP). The tractable posterior distribution induced by the GP leads to efficient use of the information gathered by previous experiments, enabling optimal choices about what parameters to try next. Here we show how the effects of the Gaussian process prior and the associated inference procedure can have a large impact on the success or failure of Bayesian optimization. We show that thoughtful choices can lead to results that exceed expert-level performance in tuning machine learning algorithms. We also describe new algorithms that take into account the variable cost (duration) of learning experiments and that can leverage the presence of multiple cores for parallel experimentation. We show that these proposed algorithms improve on previous automatic procedures and can reach or surpass human expert-level optimization on a diverse set of contemporary algorithms including latent Dirichlet allocation, structured SVMs and convolutional neural networks.

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the underlying function dynamics. However, the ability of Bayesian optimization to incorporate prior knowledge or beliefs about the function at hand in order to accelerate the optimization is limited, which reduces its appeal for knowledgeable practitioners with tight budgets. To allow domain experts to customize the optimization routine, we propose ColaBO, the first Bayesian-principled framework for incorporating prior beliefs beyond the typical kernel structure, such as the likely location of the optimizer or the optimal value. The generality of ColaBO makes it applicable across different Monte Carlo acquisition functions and types of user beliefs. We empirically demonstrate ColaBO's ability to substantially accelerate optimization when the prior information is accurate, and to retain approximately default performance when it is misleading.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Large Language Models (LLMs), particularly Code LLMs, have demonstrated impressive performance in code generation. Current research primarily focuses on the correctness of generated code, while efficiency remains less explored. Recent works have focused on modifying the initial version of the code to improve its efficiency. However, such refinements are limited by the algorithmic design and overall logic of the initial code, resulting in only incremental improvements. In contrast, when human developers write high-quality code, they typically begin by designing several potential solutions at the logical level, evaluating various algorithms and their complexities, and then proceeding to implement and optimize the solution. In this study, we introduce \tool: Large Language Model for Code Efficiency, a novel framework that enables LLMs to generate code that balances both efficiency and correctness. Specifically, \tool divides the efficiency optimization process into two domains: algorithmic exploration in the logic domain and implementation optimization in the code domain. The correctness of the code is then guaranteed through a synthetic test case refinement process. This approach, which prioritizes efficiency before ensuring correctness, offers a new paradigm for efficient code generation. Experiments demonstrate that \tool consistently improves both efficiency and correctness, achieving new state-of-the-art performance in code efficiency benchmarks across various LLM backbones.

Optimizing Register Transfer Level (RTL) code is crucial for improving the power, performance, and area (PPA) of digital circuits in the early stages of synthesis. Manual rewriting, guided by synthesis feedback, can yield high-quality results but is time-consuming and error-prone. Most existing compiler-based approaches have difficulty handling complex design constraints. Large Language Model (LLM)-based methods have emerged as a promising alternative to address these challenges. However, LLM-based approaches often face difficulties in ensuring alignment between the generated code and the provided prompts. This paper presents SymRTLO, a novel neuron-symbolic RTL optimization framework that seamlessly integrates LLM-based code rewriting with symbolic reasoning techniques. Our method incorporates a retrieval-augmented generation (RAG) system of optimization rules and Abstract Syntax Tree (AST)-based templates, enabling LLM-based rewriting that maintains syntactic correctness while minimizing undesired circuit behaviors. A symbolic module is proposed for analyzing and optimizing finite state machine (FSM) logic, allowing fine-grained state merging and partial specification handling beyond the scope of pattern-based compilers. Furthermore, a fast verification pipeline, combining formal equivalence checks with test-driven validation, further reduces the complexity of verification. Experiments on the RTL-Rewriter benchmark with Synopsys Design Compiler and Yosys show that SymRTLO improves power, performance, and area (PPA) by up to 43.9%, 62.5%, and 51.1%, respectively, compared to the state-of-the-art methods.

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

As an essential part of modern hardware design, manually writing Register Transfer Level (RTL) code such as Verilog is often labor-intensive. Following the tremendous success of large language models (LLMs), researchers have begun to explore utilizing LLMs for generating RTL code. However, current studies primarily focus on generating simple single modules, which can not meet the demands in real world. In fact, due to challenges in managing long-context RTL code and complex cross-file dependencies, existing solutions cannot handle large-scale Verilog repositories in practical hardware development. As the first endeavor to exclusively adapt LLMs for large-scale RTL development, we propose RTLRepoCoder, a groundbreaking solution that incorporates specific fine-tuning and Retrieval-Augmented Generation (RAG) for repository-level Verilog code completion. Open-source Verilog repositories from the real world, along with an extended context size, are used for domain-specific fine-tuning. The optimized RAG system improves the information density of the input context by retrieving relevant code snippets. Tailored optimizations for RAG are carried out, including the embedding model, the cross-file context splitting strategy, and the chunk size. Our solution achieves state-of-the-art performance on public benchmark, significantly surpassing GPT-4 and advanced domain-specific LLMs on Edit Similarity and Exact Match rate. Comprehensive experiments demonstrate the remarkable effectiveness of our approach and offer insights for future work.

We present a method that can recognize new objects and estimate their 3D pose in RGB images even under partial occlusions. Our method requires neither a training phase on these objects nor real images depicting them, only their CAD models. It relies on a small set of training objects to learn local object representations, which allow us to locally match the input image to a set of "templates", rendered images of the CAD models for the new objects. In contrast with the state-of-the-art methods, the new objects on which our method is applied can be very different from the training objects. As a result, we are the first to show generalization without retraining on the LINEMOD and Occlusion-LINEMOD datasets. Our analysis of the failure modes of previous template-based approaches further confirms the benefits of local features for template matching. We outperform the state-of-the-art template matching methods on the LINEMOD, Occlusion-LINEMOD and T-LESS datasets. Our source code and data are publicly available at https://github.com/nv-nguyen/template-pose

We propose PyTorchGeoNodes, a differentiable module for reconstructing 3D objects from images using interpretable shape programs. In comparison to traditional CAD model retrieval methods, the use of shape programs for 3D reconstruction allows for reasoning about the semantic properties of reconstructed objects, editing, low memory footprint, etc. However, the utilization of shape programs for 3D scene understanding has been largely neglected in past works. As our main contribution, we enable gradient-based optimization by introducing a module that translates shape programs designed in Blender, for example, into efficient PyTorch code. We also provide a method that relies on PyTorchGeoNodes and is inspired by Monte Carlo Tree Search (MCTS) to jointly optimize discrete and continuous parameters of shape programs and reconstruct 3D objects for input scenes. In our experiments, we apply our algorithm to reconstruct 3D objects in the ScanNet dataset and evaluate our results against CAD model retrieval-based reconstructions. Our experiments indicate that our reconstructions match well the input scenes while enabling semantic reasoning about reconstructed objects.

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.

Code Language Models have been trained to generate accurate solutions, typically with no regard for runtime. On the other hand, previous works that explored execution optimisation have observed corresponding drops in functional correctness. To that end, we introduce Code-Optimise, a framework that incorporates both correctness (passed, failed) and runtime (quick, slow) as learning signals via self-generated preference data. Our framework is both lightweight and robust as it dynamically selects solutions to reduce overfitting while avoiding a reliance on larger models for learning signals. Code-Optimise achieves significant improvements in pass@k while decreasing the competitive baseline runtimes by an additional 6% for in-domain data and up to 3% for out-of-domain data. As a byproduct, the average length of the generated solutions is reduced by up to 48% on MBPP and 23% on HumanEval, resulting in faster and cheaper inference. The generated data and codebase will be open-sourced at www.open-source.link.

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

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.

Natural Language Processing (NLP) systems are increasingly taking the form of multi-stage pipelines involving multiple distinct language models (LMs) and prompting strategies. Here we address the question of how to fine-tune such systems to improve their performance. We cast this as a problem of optimizing the underlying LM weights and the prompting strategies together, and consider a challenging but highly realistic scenario in which we have no gold labels for any intermediate stages in the pipeline. To address this challenge, we evaluate approximate optimization strategies in which we bootstrap training labels for all pipeline stages and use these to optimize the pipeline's prompts and fine-tune its weights alternatingly. In experiments with multi-hop QA, mathematical reasoning, and feature-based classification, we find that simple approaches for optimizing the prompts and weights together outperform directly optimizing weights alone and prompts alone by up to 65% and 5%, respectively, on average across LMs and tasks. We will release our new optimizers in DSPy at http://dspy.ai

In the quest to facilitate the deep intelligence of Large Language Models (LLMs) accessible in final-end user-bot interactions, the art of prompt crafting emerges as a critical yet complex task for the average user. Contrast to previous model-oriented yet instruction-agnostic Automatic Prompt Optimization methodologies, yielding polished results for predefined target models while suffering rapid degradation with out-of-box models, we present Free-form Instruction-oriented Prompt Optimization (FIPO). This approach is supported by our large-scale prompt preference dataset and employs a modular fine-tuning schema. The FIPO schema reimagines the optimization process into manageable modules, anchored by a meta prompt that dynamically adapts content. This allows for the flexible integration of the raw task instruction, the optional instruction response, and the optional ground truth to produce finely optimized task prompts. The FIPO preference dataset is meticulously constructed using the optimal and suboptimal LLMs, undergoing rigorous cross-verification by human experts and analytical models. Applying the insights from the data with Tulu2 models and fine-tuning strategies, we validate the efficacy of FIPO schema across five public benchmarks. Codes, data and scripts are here: https://github.com/LuJunru/FIPO_Project.

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.

The rapid advancement of bug-finding techniques has led to the discovery of more vulnerabilities than developers can reasonably fix, creating an urgent need for effective Automated Program Repair (APR) methods. However, the complexity of modern bugs often makes precise root cause analysis difficult and unreliable. To address this challenge, we propose crash-site repair to simplify the repair task while still mitigating the risk of exploitation. In addition, we introduce a template-guided patch generation approach that significantly reduces the token cost of Large Language Models (LLMs) while maintaining both efficiency and effectiveness. We implement our prototype system, WILLIAMT, and evaluate it against state-of-the-art APR tools. Our results show that, when combined with the top-performing agent CodeRover-S, WILLIAMT reduces token cost by 45.9% and increases the bug-fixing rate to 73.5% (+29.6%) on ARVO, a ground-truth open source software vulnerabilities benchmark. Furthermore, we demonstrate that WILLIAMT can function effectively even without access to frontier LLMs: even a local model running on a Mac M4 Mini achieves a reasonable repair rate. These findings highlight the broad applicability and scalability of WILLIAMT.

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

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

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.

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.

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

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

Autonomous discovery systems couple a resource that answers queries (a simulator, instrument, or analytic model) to an algorithm that selects what to query next. Most software frameworks for this loop inherit the control structure of numerical optimization: campaigns run for a fixed number of iterations, query costs are absent from the programming interface, and decision-making is treated as free. In practice, queries may differ in cost by orders of magnitude, and planners built on large language models or expensive surrogates consume resources of their own. Here we present CADAQUES, an open-source Python framework built on one architectural principle: cost is a first-class primitive of the discovery loop. CADAQUES separates the loop into two structural protocols, an Oracle that answers queries and a Driver that proposes them, and charges both evaluations and decisions against a common vector-valued budget spanning wall time, CPU hours, monetary cost, and language model tokens. An append-only ledger records, for each transaction, the cost declared before execution and the cost settled afterwards, making their discrepancy an observable property of the campaign. We evaluate the architecture by locating the critical temperature of the two-dimensional Ising model from noisy finite-size estimates against the exact thermodynamic-limit reference. In this noisy setting, strategies that concentrate around the best observed result can be misled by noise-induced peaks, whereas a schedule that explores with cheap low-fidelity queries and refines with higher-fidelity ones yields lower and less variable errors than high fidelity throughout, at the studied budget scale. Metering adds tens of microseconds per iteration, three orders of magnitude below the cheapest oracle query. The framework is MIT-licensed and archived at Zenodo (doi:10.5281/zenodo.21293589).

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.

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 propose LGGPT, an LLM-based model tailored for unified layout generation. First, we propose Arbitrary Layout Instruction (ALI) and Universal Layout Response (ULR) as the uniform I/O template. ALI accommodates arbitrary layout generation task inputs across multiple layout domains, enabling LGGPT to unify both task-generic and domain-generic layout generation hitherto unexplored. Collectively, ALI and ULR boast a succinct structure that forgoes superfluous tokens typically found in existing HTML-based formats, facilitating efficient instruction tuning and boosting unified generation performance. In addition, we propose an Interval Quantization Encoding (IQE) strategy that compresses ALI into a more condensed structure. IQE precisely preserves valid layout clues while eliminating the less informative placeholders, facilitating LGGPT to capture complex and variable layout generation conditions during the unified training process. Experimental results demonstrate that LGGPT achieves superior or on par performance compared to existing methods. Notably, LGGPT strikes a prominent balance between proficiency and efficiency with a compact 1.5B parameter LLM, which beats prior 7B or 175B models even in the most extensive and challenging unified scenario. Furthermore, we underscore the necessity of employing LLMs for unified layout generation and suggest that 1.5B could be an optimal parameter size by comparing LLMs of varying scales. Code is available at https://github.com/NiceRingNode/LGGPT.

Chaining language model (LM) calls as composable modules is fueling a new powerful way of programming. However, ensuring that LMs adhere to important constraints remains a key challenge, one often addressed with heuristic "prompt engineering". We introduce LM Assertions, a new programming construct for expressing computational constraints that LMs should satisfy. We integrate our constructs into the recent DSPy programming model for LMs, and present new strategies that allow DSPy to compile programs with arbitrary LM Assertions into systems that are more reliable and more accurate. In DSPy, LM Assertions can be integrated at compile time, via automatic prompt optimization, and/or at inference time, via automatic selfrefinement and backtracking. We report on two early case studies for complex question answering (QA), in which the LM program must iteratively retrieve information in multiple hops and synthesize a long-form answer with citations. We find that LM Assertions improve not only compliance with imposed rules and guidelines but also enhance downstream task performance, delivering intrinsic and extrinsic gains up to 35.7% and 13.3%, respectively. Our reference implementation of LM Assertions is integrated into DSPy at https://github.com/stanfordnlp/dspy

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

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

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

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach employs bidirectional learning, combining a forward mapping for exploitation and a backward mapping for constraint, and it relies on the neural tangent kernel (NTK) of an infinitely wide network to build a proxy model. Though effective, the NTK cannot learn features because of its parametrization, and its use prevents the incorporation of powerful pre-trained Language Models (LMs) that can capture the rich biophysical information in millions of biological sequences. We adopt an alternative proxy model, adding a linear head to a pre-trained LM, and propose a linearization scheme. This yields a closed-form loss and also takes into account the biophysical information in the pre-trained LM. In addition, the forward mapping and the backward mapping play different roles and thus deserve different weights during sequence optimization. To achieve this, we train an auxiliary model and leverage its weak supervision signal via a bi-level optimization framework to effectively learn how to balance the two mappings. Further, by extending the framework, we develop the first learning rate adaptation module Adaptive-eta, which is compatible with all gradient-based algorithms for offline model-based optimization. Experimental results on DNA/protein sequence design tasks verify the effectiveness of our algorithm. Our code is available~https://anonymous.4open.science/r/BIB-ICLR2023-Submission/README.md{here.}

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

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the effectiveness of five hyperparameter optimization (HPO) algorithms -- Random Search, Covariance Matrix Adaptation Evolution Strategy (CMA--ES), Bayesian Optimization, Partial Swarm Optimization (PSO), and Nevergrad Optimizer (NGOpt) across univariate and multivariate Short-Term Load Forecasting (STLF) tasks. Using the Panama Electricity dataset (n=48,049), we evaluate HPO algorithms' performances on a surrogate forecasting algorithm, XGBoost, in terms of accuracy (i.e., MAPE, R^2) and runtime. Performance plots visualize these metrics across varying sample sizes from 1,000 to 20,000, and Kruskal--Wallis tests assess the statistical significance of the performance differences. Results reveal significant runtime advantages for HPO algorithms over Random Search. In univariate models, Bayesian optimization exhibited the lowest accuracy among the tested methods. This study provides valuable insights for optimizing XGBoost in the STLF context and identifies areas for future research.

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.

Controllable diffusion methods have substantially expanded the practical utility of diffusion models, but they are typically developed as isolated, backbone-specific systems with incompatible training pipelines, parameter formats, and runtime hooks. This fragmentation makes it difficult to reuse infrastructure across tasks, transfer capabilities across backbones, or compose multiple controls within a single generation pipeline. We present Diffusion Templates, a unified and open plugin framework that decouples base-model inference from controllable capability injection. The framework is organized around three components: Template models that map arbitrary task-specific inputs to an intermediate capability representation, a Template cache that functions as a standardized interface for capability injection, and a Template pipeline that loads, merges, and injects one or more Template caches into the base diffusion runtime. Because the interface is defined at the systems level rather than tied to a specific control architecture, heterogeneous capability carriers such as KV-Cache and LoRA can be supported under the same abstraction. Based on this design, we build a diverse model zoo spanning structural control, brightness adjustment, color adjustment, image editing, super-resolution, sharpness enhancement, aesthetic alignment, content reference, local inpainting, and age control. These case studies show that Diffusion Templates can unify a broad range of controllable generation tasks while preserving modularity, composability, and practical extensibility across rapidly evolving diffusion backbones. All resources will be open sourced, including code, models, and datasets.

The Base-New Trade-off (BNT) problem universally exists during the optimization of CLIP-based prompt tuning, where continuous fine-tuning on base (target) classes leads to a simultaneous decrease of generalization ability on new (unseen) classes. Existing approaches attempt to regulate the prompt tuning process to balance BNT by appending constraints. However, imposed on the same target prompt, these constraints fail to fully avert the mutual exclusivity between the optimization directions for base and new. As a novel solution to this challenge, we propose the plug-and-play Dual-Prompt Collaboration (DPC) framework, the first that decoupling the optimization processes of base and new tasks at the prompt level. Specifically, we clone a learnable parallel prompt based on the backbone prompt, and introduce a variable Weighting-Decoupling framework to independently control the optimization directions of dual prompts specific to base or new tasks, thus avoiding the conflict in generalization. Meanwhile, we propose a Dynamic Hard Negative Optimizer, utilizing dual prompts to construct a more challenging optimization task on base classes for enhancement. For interpretability, we prove the feature channel invariance of the prompt vector during the optimization process, providing theoretical support for the Weighting-Decoupling of DPC. Extensive experiments on multiple backbones demonstrate that DPC can significantly improve base performance without introducing any external knowledge beyond the base classes, while maintaining generalization to new classes. Code is available at: https://github.com/JREion/DPC.

Evolutionary multitasking (EMT) has emerged as a popular topic of evolutionary computation over the past decade. It aims to concurrently address multiple optimization tasks within limited computing resources, leveraging inter-task knowledge transfer techniques. Despite the abundance of multitask evolutionary algorithms (MTEAs) proposed for multitask optimization (MTO), there remains a need for a comprehensive software platform to help researchers evaluate MTEA performance on benchmark MTO problems as well as explore real-world applications. To bridge this gap, we introduce the first open-source benchmarking platform, named MToP, for EMT. MToP incorporates over 50 MTEAs, more than 200 MTO problem cases with real-world applications, and over 20 performance metrics. Based on these, we provide benchmarking recommendations tailored for different MTO scenarios. Moreover, to facilitate comparative analyses between MTEAs and traditional evolutionary algorithms, we adapted over 50 popular single-task evolutionary algorithms to address MTO problems. Notably, we release extensive pre-run experimental data on benchmark suites to enhance reproducibility and reduce computational overhead for researchers. MToP features a user-friendly graphical interface, facilitating results analysis, data export, and schematic visualization. More importantly, MToP is designed with extensibility in mind, allowing users to develop new algorithms and tackle emerging problem domains. The source code of MToP is available at: https://github.com/intLyc/MTO-Platform

In this paper, we propose a new mixed-integer linear programming (MILP) model ontology and a novel constraint typology of MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning, resource allocation, and timetabling optimization problems providing optimized business solutions for industry sectors such as manufacturing, agriculture, defence, healthcare, medicine, energy, finance, and transportation. Despite the numerous real-life Combinatorial Optimization Problems found and solved and millions yet to be discovered and formulated, the number of types of constraints (the building blocks of a MILP) is relatively small. In the search for a suitable machine-readable knowledge representation structure for MILPs, we propose an optimization modelling tree built based upon an MILP model ontology that can be used as a guide for automated systems to elicit an MILP model from end-users on their combinatorial business optimization problems. Our ultimate aim is to develop a machine-readable knowledge representation for MILP that allows us to map an end-user's natural language description of the business optimization problem to an MILP formal specification as a first step towards automated mathematical modelling.

Recent advances in LLM-guided evolutionary computation, particularly AlphaEvolve (Novikov et al., 2025; Georgiev et al., 2025), have demonstrated remarkable success in discovering novel mathematical constructions and solving challenging optimization problems. However, the high-level descriptions in published work leave many implementation details unspecified, hindering reproducibility and further research. In this report we present GigaEvo, an extensible open-source framework that enables researchers to study and experiment with hybrid LLM-evolution approaches inspired by AlphaEvolve. Our system provides modular implementations of key components: MAP-Elites quality-diversity algorithms, asynchronous DAG-based evaluation pipelines, LLM-driven mutation operators with insight generation and bidirectional lineage tracking, and flexible multi-island evolutionary strategies. In order to assess reproducibility and validate our implementation we evaluate GigaEvo on challenging problems from the AlphaEvolve paper: Heilbronn triangle placement, circle packing in squares, and high-dimensional kissing numbers. The framework emphasizes modularity, concurrency, and ease of experimentation, enabling rapid prototyping through declarative configuration. We provide detailed descriptions of system architecture, implementation decisions, and experimental methodology to support further research in LLM driven evolutionary methods. The GigaEvo framework and all experimental code are available at https://github.com/AIRI-Institute/gigaevo-core.

Large language models (LLMs) have demonstrated strong reasoning and tool-use capabilities, yet they often fail in real-world tool-interactions due to incorrect parameterization, poor tool selection, or misinterpretation of user intent. These issues often stem from an incomplete understanding of user goals and inadequate comprehension of tool documentation. While Chain-of-Thought (CoT) prompting has proven effective for enhancing reasoning in general contexts, our analysis reveals that free-form CoT is insufficient and sometimes counterproductive for structured function-calling tasks. To address this, we introduce a curriculum-inspired framework that leverages structured reasoning templates to guide LLMs through more deliberate step-by-step instructions for generating function callings. Experimental results show that our method reduces tool-use errors, achieving 3-12% relative improvements over strong baselines across diverse model series and approaches. Moreover, our framework enhances the robustness, interpretability, and transparency of tool-using agents, advancing the development of more reliable AI assistants for real-world applications.

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 introduce xLLM, an intelligent and efficient Large Language Model (LLM) inference framework designed for high-performance, large-scale enterprise-grade serving, with deep optimizations for diverse AI accelerators. To address these challenges, xLLM builds a novel decoupled service-engine architecture. At the service layer, xLLM-Service features an intelligent scheduling module that efficiently processes multimodal requests and co-locates online and offline tasks through unified elastic scheduling to maximize cluster utilization. This module also relies on a workload-adaptive dynamic Prefill-Decode (PD) disaggregation policy and a novel Encode-Prefill-Decode (EPD) disaggregation policy designed for multimodal inputs. Furthermore, it incorporates a distributed architecture to provide global KV Cache management and robust fault-tolerant capabilities for high availability. At the engine layer, xLLM-Engine co-optimizes system and algorithm designs to fully saturate computing resources. This is achieved through comprehensive multi-layer execution pipeline optimizations, an adaptive graph mode and an xTensor memory management. xLLM-Engine also further integrates algorithmic enhancements such as optimized speculative decoding and dynamic EPLB, collectively serving to substantially boost throughput and inference efficiency. Extensive evaluations demonstrate that xLLM delivers significantly superior performance and resource efficiency. Under identical TPOT constraints, xLLM achieves throughput up to 1.7x that of MindIE and 2.2x that of vLLM-Ascend with Qwen-series models, while maintaining an average throughput of 1.7x that of MindIE with Deepseek-series models. xLLM framework is publicly available at https://github.com/jd-opensource/xllm and https://github.com/jd-opensource/xllm-service.

Object modeling has become a core part of recent tracking frameworks. Current popular tackers use Transformer attention to extract the template feature separately or interactively with the search region. However, separate template learning lacks communication between the template and search regions, which brings difficulty in extracting discriminative target-oriented features. On the other hand, interactive template learning produces hybrid template features, which may introduce potential distractors to the template via the cluttered search regions. To enjoy the merits of both methods, we propose a robust object modeling framework for visual tracking (ROMTrack), which simultaneously models the inherent template and the hybrid template features. As a result, harmful distractors can be suppressed by combining the inherent features of target objects with search regions' guidance. Target-related features can also be extracted using the hybrid template, thus resulting in a more robust object modeling framework. To further enhance robustness, we present novel variation tokens to depict the ever-changing appearance of target objects. Variation tokens are adaptable to object deformation and appearance variations, which can boost overall performance with negligible computation. Experiments show that our ROMTrack sets a new state-of-the-art on multiple benchmarks.

We introduce a novel paradigm in compiler optimization powered by Large Language Models with compiler feedback to optimize the code size of LLVM assembly. The model takes unoptimized LLVM IR as input and produces optimized IR, the best optimization passes, and instruction counts of both unoptimized and optimized IRs. Then we compile the input with generated optimization passes and evaluate if the predicted instruction count is correct, generated IR is compilable, and corresponds to compiled code. We provide this feedback back to LLM and give it another chance to optimize code. This approach adds an extra 0.53% improvement over -Oz to the original model. Even though, adding more information with feedback seems intuitive, simple sampling techniques achieve much higher performance given 10 or more samples.

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.

Many LLM-based open-ended search systems freeze the foundation model that proposes improvements to existing solutions, which may bottleneck long-run progress. Recent work has explored updating the proposal model at test time [arXiv:2511.23473], but the update strategy is still typically hand-specified. Therefore, this study investigated whether an LLM can use task feedback to decide how it should update its weights. For tractability, we focused on the simpler case where there is only one round of self-improvement, and restricted the update operator to self-supervised next token prediction (NTP), leaving the model freedom in choosing its training data and key NTP hyperparameters. Using the Self-Adapting Language Models (SEAL) [arXiv:2506.10943] framework as a testbed, we relaxed its fixed human template constraint and allowed the model to generate its own self-edit templates, thereby giving it more control over its training data and hyperparameters. Two variants were studied, differing in whether template generation was conditioned on a lightweight archive of past templates. In SEAL's Single-Passage Knowledge Incorporation setting with Qwen3-8B on SQuAD [arXiv:1606.05250], the no-archive variant performed comparably to the weaker "Implications" baseline, while the archive variant outperformed "Implications" and approached the strongest human-designed "Rewrite" baseline without surpassing it. Further analysis of collapse in the model's exploration revealed that a naive archive can confer some short-term robustness but can also accelerate homogenization, suggesting that explicit novelty pressure may be required to consistently advance beyond carefully optimized human strategies. Our code is available at https://github.com/cheongalc/search-self-edit-strategies .

Dynamic shape computations have become critical in modern machine learning workloads, especially in emerging large language models. The success of these models has driven demand for deploying them to a diverse set of backend environments. In this paper, we present Relax, a compiler abstraction for optimizing end-to-end dynamic machine learning workloads. Relax introduces first-class symbolic shape annotations to track dynamic shape computations globally across the program. It also introduces a cross-level abstraction that encapsulates computational graphs, loop-level tensor programs, and library calls in a single representation to enable cross-level optimizations. We build an end-to-end compilation framework using the proposed approach to optimize dynamic shape models. Experimental results on large language models show that Relax delivers performance competitive with state-of-the-art hand-optimized systems across platforms and enables deployment of emerging dynamic models to a broader set of environments, including mobile phones, embedded devices, and web browsers.

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

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.

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.

Vision-language foundation models (VLMs) show promise for diverse imaging tasks but often underperform on medical benchmarks. Prior efforts to improve performance include model finetuning, which requires large domain-specific datasets and significant compute, or manual prompt engineering, which is hard to generalize and often inaccessible to medical institutions seeking to deploy these tools. These challenges motivate interest in approaches that draw on a model's embedded knowledge while abstracting away dependence on human-designed prompts to enable scalable, weight-agnostic performance improvements. To explore this, we adapt the Declarative Self-improving Python (DSPy) framework for structured automated prompt optimization in medical vision-language systems through a comprehensive, formal evaluation. We implement prompting pipelines for five medical imaging tasks across radiology, gastroenterology, and dermatology, evaluating 10 open-source VLMs with four prompt optimization techniques. Optimized pipelines achieved a median relative improvement of 53% over zero-shot prompting baselines, with the largest gains ranging from 300% to 3,400% on tasks where zero-shot performance is low. These results highlight the substantial potential of applying automated prompt optimization to medical AI systems, demonstrating significant gains for vision-based applications requiring accurate clinical image interpretation. By reducing dependence on prompt design to elicit intended outputs, these techniques allow clinicians to focus on patient care and clinical decision-making. Furthermore, our experiments offer scalability and preserve data privacy, demonstrating performance improvement on open-source VLMs. We publicly release our evaluation pipelines to support reproducible research on specialized medical tasks, available at https://github.com/DaneshjouLab/prompt-triage-lab.

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.

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

Optimization modeling underpins real-world decision-making in logistics, manufacturing, energy, and public services, but reliably solving such problems from natural-language requirements remains challenging for current large language models (LLMs). In this paper, we propose Agora-Opt, a modular agentic framework for optimization modeling that combines decentralized debate with a read-write memory bank. Agora-Opt allows multiple agent teams to independently produce end-to-end solutions and reconcile them through an outcome-grounded debate protocol, while memory stores solver-verified artifacts and past disagreement resolutions to support training-free improvement over time. This design is flexible across both backbones and methods: it reduces base-model lock-in, transfers across different LLM families, and can be layered onto existing pipelines with minimal coupling. Across public benchmarks, Agora-Opt achieves the strongest overall performance among all compared methods, outperforming strong zero-shot LLMs, training-centric approaches, and prior agentic baselines. Further analyses show robust gains across backbone choices and component variants, and demonstrate that decentralized debate offers a structural advantage over centralized selection by enabling agents to refine candidate solutions through interaction and even recover correct formulations when all initial candidates are flawed. These results suggest that reliable optimization modeling benefits from combining collaborative cross-checking with reusable experience, and position Agora-Opt as a practical and extensible foundation for trustworthy optimization modeling assistance. Our code and data are available at https://github.com/CHIANGEL/Agora-Opt.

Reverse-mode differentiation is used for optimization, but it introduces references, which break the purity of the underlying programs, making them notoriously harder to optimize. We present a reverse-mode differentiation on a purely functional language with array operations. It is the first one to deliver a provably efficient, purely functional, and denotationally correct reverse-mode differentiation. We show that our transformation is semantically correct and verifies the cheap gradient principle. Inspired by PROPs and compilation to categories, we introduce a novel intermediate representation that we call 'unary form'. Our reverse-mode transformation is factored as a compilation scheme through this intermediate representation. We obtain provably efficient gradients by performing general partial evaluation optimizations after our reverse-mode transformation, as opposed to manually derived ones. For simple first-order programs, the obtained output programs resemble static-single-assignment (SSA) code. We emphasize the modularity of our approach and show how our language can easily be enriched with more optimized primitives, as required for some speed-ups in practice.

High-performance sparse matrix-matrix (SpMM) multiplication is paramount for science and industry, as the ever-increasing sizes of data prohibit using dense data structures. Yet, existing hardware, such as Tensor Cores (TC), is ill-suited for SpMM, as it imposes strict constraints on data structures that cannot be met by unstructured sparsity found in many applications. To address this, we introduce (S)parse (Ma)trix Matrix (T)ensor Core-accelerated (SMaT): a novel SpMM library that utilizes TCs for unstructured sparse matrices. Our block-sparse library leverages the low-level CUDA MMA (matrix-matrix-accumulate) API, maximizing the performance offered by modern GPUs. Algorithmic optimizations such as sparse matrix permutation further improve performance by minimizing the number of non-zero blocks. The evaluation on NVIDIA A100 shows that SMaT outperforms SotA libraries (DASP, cuSPARSE, and Magicube) by up to 125x (on average 2.6x). SMaT can be used to accelerate many workloads in scientific computing, large-model training, inference, and others.

As an efficient alternative to conventional full finetuning, parameter-efficient finetuning (PEFT) is becoming the prevailing method to adapt pretrained language models. In PEFT, a lightweight module is learned on each dataset while the underlying pretrained language model remains unchanged, resulting in multiple compact modules representing diverse skills when applied to various domains and tasks. In this paper, we propose to compose these parameter-efficient modules through linear arithmetic operations in the weight space, thereby integrating different module capabilities. Specifically, we first define addition and negation operators for the module, and then further compose these two basic operators to perform flexible arithmetic. Our approach requires no additional training and enables highly flexible module composition. We apply different arithmetic operations to compose the parameter-efficient modules for (1) distribution generalization, (2) multi-tasking, (3) unlearning, and (4) domain transfer. Additionally, we extend our approach to detoxify Alpaca-LoRA, the latest instruction-tuned large language model based on LLaMA. Empirical results demonstrate that our approach produces new and effective parameter-efficient modules that significantly outperform existing ones across all settings.

The code generation capabilities of Large Language Models (LLMs) have advanced applications like tool invocation and problem-solving. However, improving performance in code-related tasks remains challenging due to limited training data that is verifiable with accurate test cases. While Direct Preference Optimization (DPO) has shown promise, existing methods for generating test cases still face limitations. In this paper, we propose a novel approach that splits code snippets into smaller, granular blocks, creating more diverse DPO pairs from the same test cases. Additionally, we introduce the Abstract Syntax Tree (AST) splitting and curriculum training method to enhance the DPO training. Our approach demonstrates significant improvements in code generation tasks, as validated by experiments on benchmark datasets such as HumanEval (+), MBPP (+), APPS, LiveCodeBench, and BigCodeBench. Code and data are available at https://github.com/SenseLLM/StructureCoder.

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.

Well-designed prompts are crucial for enhancing Large language models' (LLMs) reasoning capabilities while aligning their outputs with task requirements across diverse domains. However, manually designed prompts require expertise and iterative experimentation. While existing prompt optimization methods aim to automate this process, they rely heavily on external references such as ground truth or by humans, limiting their applicability in real-world scenarios where such data is unavailable or costly to obtain. To address this, we propose Self-Supervised Prompt Optimization (SPO), a cost-efficient framework that discovers effective prompts for both closed and open-ended tasks without requiring external reference. Motivated by the observations that prompt quality manifests directly in LLM outputs and LLMs can effectively assess adherence to task requirements, we derive evaluation and optimization signals purely from output comparisons. Specifically, SPO selects superior prompts through pairwise output comparisons evaluated by an LLM evaluator, followed by an LLM optimizer that aligns outputs with task requirements. Extensive experiments demonstrate that SPO outperforms state-of-the-art prompt optimization methods, achieving comparable or superior results with significantly lower costs (e.g., 1.1% to 5.6% of existing methods) and fewer samples (e.g., three samples). The code is available at https://github.com/geekan/MetaGPT.