Daily Papers

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task domains, spawning myriad approaches for algorithmically optimizing the design and learning dynamics of deep learning models. At the intersection of these research areas, we implement a code-generating language model with the ability to modify its own source code. Self-programming AI algorithms have been of interest since the dawn of AI itself. Although various theoretical formulations of generalized self-programming AI have been posed, no such system has been successfully implemented to date under real-world computational constraints. Applying AI-based code generation to AI itself, we develop and experimentally validate the first practical implementation of a self-programming AI system. We empirically show that a self-programming AI implemented using a code generation model can successfully modify its own source code to improve performance and program sub-models to perform auxiliary tasks. Our model can self-modify various properties including model architecture, computational capacity, and learning dynamics.

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.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

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

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

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

We study the problem of optimizing a function under a budgeted number of evaluations. We only assume that the function is locally smooth around one of its global optima. The difficulty of optimization is measured in terms of 1) the amount of noise b of the function evaluation and 2) the local smoothness, d, of the function. A smaller d results in smaller optimization error. We come with a new, simple, and parameter-free approach. First, for all values of b and d, this approach recovers at least the state-of-the-art regret guarantees. Second, our approach additionally obtains these results while being agnostic to the values of both b and d. This leads to the first algorithm that naturally adapts to an unknown range of noise b and leads to significant improvements in a moderate and low-noise regime. Third, our approach also obtains a remarkable improvement over the state-of-the-art SOO algorithm when the noise is very low which includes the case of optimization under deterministic feedback (b=0). There, under our minimal local smoothness assumption, this improvement is of exponential magnitude and holds for a class of functions that covers the vast majority of functions that practitioners optimize (d=0). We show that our algorithmic improvement is borne out in experiments as we empirically show faster convergence on common benchmarks.

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

This 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.

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

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

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

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

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

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

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

This systematic review explores the application of Large Language Models (LLMs) in Combinatorial Optimization (CO). We report our findings using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We conduct a literature search via Scopus and Google Scholar, examining over 2,000 publications. We assess publications against four inclusion and four exclusion criteria related to their language, research focus, publication year, and type. Eventually, we select 103 studies. We classify these studies into semantic categories and topics to provide a comprehensive overview of the field, including the tasks performed by LLMs, the architectures of LLMs, the existing datasets specifically designed for evaluating LLMs in CO, and the field of application. Finally, we identify future directions for leveraging LLMs in this field.

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.

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.

Discovering efficient algorithms for solving complex problems has been an outstanding challenge in mathematics and computer science, requiring substantial human expertise over the years. Recent advancements in evolutionary search with large language models (LLMs) have shown promise in accelerating the discovery of algorithms across various domains, particularly in mathematics and optimization. However, existing approaches treat the LLM as a static generator, missing the opportunity to update the model with the signal obtained from evolutionary exploration. In this work, we propose to augment LLM-based evolutionary search by continuously refining the search operator - the LLM - through reinforcement learning (RL) fine-tuning. Our method leverages evolutionary search as an exploration strategy to discover improved algorithms, while RL optimizes the LLM policy based on these discoveries. Our experiments on three combinatorial optimization tasks - bin packing, traveling salesman, and the flatpack problem - show that combining RL and evolutionary search improves discovery efficiency of improved algorithms, showcasing the potential of RL-enhanced evolutionary strategies to assist computer scientists and mathematicians for more efficient algorithm design.

Although deep learning has made great progress in recent years, the exploding economic and environmental costs of training neural networks are becoming unsustainable. To address this problem, there has been a great deal of research on *algorithmically-efficient deep learning*, which seeks to reduce training costs not at the hardware or implementation level, but through changes in the semantics of the training program. In this paper, we present a structured and comprehensive overview of the research in this field. First, we formalize the *algorithmic speedup* problem, then we use fundamental building blocks of algorithmically efficient training to develop a taxonomy. Our taxonomy highlights commonalities of seemingly disparate methods and reveals current research gaps. Next, we present evaluation best practices to enable comprehensive, fair, and reliable comparisons of speedup techniques. To further aid research and applications, we discuss common bottlenecks in the training pipeline (illustrated via experiments) and offer taxonomic mitigation strategies for them. Finally, we highlight some unsolved research challenges and present promising future directions.

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.

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

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.

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

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.

Current literature, aiming to surpass the "Chain-of-Thought" approach, often resorts to an external modus operandi involving halting, modifying, and then resuming the generation process to boost Large Language Models' (LLMs) reasoning capacities. This mode escalates the number of query requests, leading to increased costs, memory, and computational overheads. Addressing this, we propose the Algorithm of Thoughts -- a novel strategy that propels LLMs through algorithmic reasoning pathways, pioneering a new mode of in-context learning. By employing algorithmic examples, we exploit the innate recurrence dynamics of LLMs, expanding their idea exploration with merely one or a few queries. Our technique outperforms earlier single-query methods and stands on par with a recent multi-query strategy that employs an extensive tree search algorithm. Intriguingly, our results suggest that instructing an LLM using an algorithm can lead to performance surpassing that of the algorithm itself, hinting at LLM's inherent ability to weave its intuition into optimized searches. We probe into the underpinnings of our method's efficacy and its nuances in application.

We present a new implementation of the LLM-driven genetic algorithm {\it funsearch}, whose aim is to generate examples of interest to mathematicians and which has already had some success in problems in extremal combinatorics. Our implementation is designed to be useful in practice for working mathematicians; it does not require expertise in machine learning or access to high-performance computing resources. Applying {\it funsearch} to a new problem involves modifying a small segment of Python code and selecting a large language model (LLM) from one of many third-party providers. We benchmarked our implementation on three different problems, obtaining metrics that may inform applications of {\it funsearch} to new problems. Our results demonstrate that {\it funsearch} successfully learns in a variety of combinatorial and number-theoretic settings, and in some contexts learns principles that generalize beyond the problem originally trained on.

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.

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.

The rapid growth of Large Language Models (LLMs) has been a driving force in transforming various domains, reshaping the artificial general intelligence landscape. However, the increasing computational and memory demands of these models present substantial challenges, hindering both academic research and practical applications. To address these issues, a wide array of methods, including both algorithmic and hardware solutions, have been developed to enhance the efficiency of LLMs. This survey delivers a comprehensive review of algorithmic advancements aimed at improving LLM efficiency. Unlike other surveys that typically focus on specific areas such as training or model compression, this paper examines the multi-faceted dimensions of efficiency essential for the end-to-end algorithmic development of LLMs. Specifically, it covers various topics related to efficiency, including scaling laws, data utilization, architectural innovations, training and tuning strategies, and inference techniques. This paper aims to serve as a valuable resource for researchers and practitioners, laying the groundwork for future innovations in this critical research area. Our repository of relevant references is maintained at url{https://github.com/tding1/Efficient-LLM-Survey}.

We present Adjacent Possible Exploration (APE), a simple yet effective method for adapting large language models to specific tasks using minimal computational resources. Unlike traditional fine-tuning that requires extensive compute, APE iteratively fine-tunes models on small, carefully selected data batches (200 examples), retaining only improvements. On news summarization, APE achieves 40 percent BLEU improvement using just a T4 GPU in 60 minutes, matching or exceeding more complex methods like LoRA while remaining conceptually simple. Our approach is particularly valuable for researchers and practitioners with limited computational resources. We provide open-source code and demonstrate APE's effectiveness through both automatic metrics and human evaluation. While inspired by evolutionary theory's "adjacent possible", APE's core insight has a very practical application: small, iterative data perturbations can efficiently guide LLMs toward task-specific performance without expensive retraining.

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

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

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

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

Code generation with large language models has shown significant promise, especially when employing retrieval-augmented generation (RAG) with few-shot examples. However, selecting effective examples that enhance generation quality remains a challenging task, particularly when the target programming language (PL) is underrepresented. In this study, we present two key findings: (1) retrieving examples whose presented algorithmic plans can be referenced for generating the desired behavior significantly improves generation accuracy, and (2) converting code into pseudocode effectively captures such algorithmic plans, enhancing retrieval quality even when the source and the target PLs are different. Based on these findings, we propose Plan-as-query Example Retrieval for few-shot prompting in Code generation (PERC), a novel framework that utilizes algorithmic plans to identify and retrieve effective examples. We validate the effectiveness of PERC through extensive experiments on the CodeContests, HumanEval and MultiPL-E benchmarks: PERC consistently outperforms the state-of-the-art RAG methods in code generation, both when the source and target programming languages match or differ, highlighting its adaptability and robustness in diverse coding environments.

Increasing demand for Large Language Models (LLMs) services imposes substantial deployment and computation costs on providers. LLM routing offers a cost-efficient solution by directing queries to the optimal LLM based on model and query features. However, existing works primarily focus on offline scenarios and struggle to adapt to online settings with high query volume and constrained token budgets. In this work, we introduce the first training-free algorithm for online routing scenarios. Our algorithm leverages approximate nearest neighbor search to efficiently estimate query features and performs a one-time optimization over a small set of initial queries to learn a routing strategy that guides future routing. We provide theoretical guarantees demonstrating that our algorithm achieves a competitive ratio of 1 - o(1) under natural assumptions, which is further validated by extensive experiments across 3 benchmark datasets and 8 baselines, showing an average improvement of 3.55times in overall performance, 1.85times in cost efficiency, and nearly 4.25times in throughput. Our code is available at https://github.com/fzwark/PORT.

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.

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

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.

We ask whether large language models (LLMs) can design effective algorithms for well-specified operations research (OR) problems. We study inventory control, queueing network control, and assortment optimization, using benchmark instances from recent papers in each area. We evaluate two levels of LLM use: at level 1, the model receives one problem instance and returns a solution for that instance; at level 2, it receives only the problem class description and broad parameter ranges, and returns an algorithm that maps instance parameters to solutions. Human input is minimal: we give one untuned prompt that describes the problem, and the model has access to a Python sandbox tool with a fixed compute budget. The strongest model we test, gpt-5.6-sol, matches or outperforms the best method reported in those papers on almost all evaluated instances. This holds even at level 2, where the returned algorithm is fixed before seeing the evaluation instances. Performance also improves sharply across models released less than eight months apart, suggesting that this capability is moving quickly. Thus, for the well-specified operations problems we study, a single untuned LLM query can already produce algorithms competitive with specialized methods. These results suggest that frontier LLMs can be a serious empirical baseline for algorithm design in well-specified OR problems.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

Computationally intensive decoding procedures--including search, reranking, and self-critique--can improve the quality of language model (LM) outputs in problems spanning code generation, numerical reasoning, and dialog. Existing work typically applies the same decoding procedure for every input to an LM. But not all inputs require the same amount of computation to process. Can we allocate decoding computation adaptively, using more resources to answer questions whose answers will be harder to compute? We present an approach that predicts the distribution of rewards given an input and computation budget, then allocates additional computation to inputs for which it is predicted to be most useful. We apply this approach in two decoding procedures: first, an adaptive best-of-k procedure that dynamically selects the number of samples to generate as input to a reranker; second, a routing procedure that dynamically responds to a query using a decoding procedure that is expensive but accurate, or one that is cheaper but less capable. Across a suite of programming, mathematics, and dialog tasks, we show that accurate computation-allocation procedures can be learned, and reduce computation by up to 50% at no cost to response quality, or improve quality by up to 10% at a fixed computational budget.

The integration of large language models (LLMs) into automated algorithm design has shown promising potential. A prevalent approach embeds LLMs within search routines to iteratively generate and refine candidate algorithms. However, most existing methods rely on off-the-shelf LLMs trained for general coding tasks, leaving a key question open: Do we need LLMs specifically tailored for algorithm design? If so, how can such LLMs be effectively obtained and how well can they generalize across different algorithm design tasks? In this paper, we take a preliminary step toward answering these questions by exploring fine-tuning of LLMs for algorithm design. We introduce a Diversity-Aware Rank-based (DAR) sampling strategy to balance training data diversity and quality, then we leverage direct preference optimization to efficiently align LLM outputs with task objectives. Our experiments are primarily conducted on Llama-3.2-1B-Instruct and Llama-3.1-8BInstruct across three distinct algorithm design tasks, with openPangu-Embedded models additionally included as auxiliary comparisons on the admissible set problem. Results suggest that fine-tuned LLMs can significantly outperform their off-the-shelf counterparts with the smaller Llama-3.2-1B-Instruct and match the larger Llama-3.1-8B-Instruct on the admissible set problem. Moreover, we observe promising generalization: LLMs fine-tuned on specific algorithm design tasks also improve performance on related tasks with varying settings. These findings highlight the value of task-specific adaptation for LLMs in algorithm design and open new avenues for future research. Our code is publicly available at https://github.com/RayZhhh/dpo-aad.

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.

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

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

Designing recommendation systems with limited or no available training data remains a challenge. To that end, a new combinatorial optimization problem is formulated to generate optimized item selection for experimentation with the goal to shorten the time for collecting randomized training data. We first present an overview of the optimized item selection problem and a multi-level optimization framework to solve it. The approach integrates techniques from discrete optimization, unsupervised clustering, and latent text embeddings. We then discuss how to incorporate optimized item selection with active learning as part of randomized exploration in an ongoing fashion.

Active learning (AL) algorithms may achieve better performance with fewer data because the model guides the data selection process. While many algorithms have been proposed, there is little study on what the optimal AL algorithm looks like, which would help researchers understand where their models fall short and iterate on the design. In this paper, we present a simulated annealing algorithm to search for this optimal oracle and analyze it for several tasks. We present qualitative and quantitative insights into the behaviors of this oracle, comparing and contrasting them with those of various heuristics. Moreover, we are able to consistently improve the heuristics using one particular insight. We hope that our findings can better inform future active learning research. The code is available at https://github.com/YilunZhou/optimal-active-learning.

Large Language Models (LLMs) have exhibited exceptional performance across a broad range of tasks and domains. However, they still encounter difficulties in solving mathematical problems due to the rigorous and logical nature of mathematics. Previous studies have employed techniques such as supervised fine-tuning (SFT), prompt engineering, and search-based methods to improve the mathematical problem-solving abilities of LLMs. Despite these efforts, their performance remains suboptimal and demands substantial computational resources. To address this issue, we propose a novel approach, BEATS, to enhance mathematical problem-solving abilities. Our method leverages newly designed prompts that guide the model to iteratively rewrite, advance by one step, and generate answers based on previous steps. Additionally, we introduce a new back-verification technique that uses LLMs to validate the correctness of the generated answers. Furthermore, we employ a pruning tree search to optimize search time while achieving strong performance. Notably, our method improves Qwen2-7b-Instruct's score from 36.94 to 61.52, outperforming GPT4's 42.5 on the MATH benchmark.

ML-augmented algorithms utilize predictions to achieve performance beyond their worst-case bounds. Producing these predictions might be a costly operation -- this motivated Im et al. '22 to introduce the study of algorithms which use predictions parsimoniously. We design parsimonious algorithms for caching and MTS with action predictions, proposed by Antoniadis et al. '20, focusing on the parameters of consistency (performance with perfect predictions) and smoothness (dependence of their performance on the prediction error). Our algorithm for caching is 1-consistent, robust, and its smoothness deteriorates with the decreasing number of available predictions. We propose an algorithm for general MTS whose consistency and smoothness both scale linearly with the decreasing number of predictions. Without the restriction on the number of available predictions, both algorithms match the earlier guarantees achieved by Antoniadis et al. '20.

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

With the rise of large language models (LLMs), generative engines are becoming powerful alternatives to traditional search, reshaping retrieval tasks. In e-commerce, for instance, conversational shopping agents now guide consumers to relevant products. This shift has created the need for generative engine optimization (GEO)--improving content visibility and relevance for generative engines. Yet despite its growing importance, current GEO practices are ad hoc, and their impacts remain poorly understood, especially in e-commerce. We address this gap by introducing E-GEO, the first benchmark built specifically for e-commerce GEO. E-GEO contains over 7,000 realistic, multi-sentence consumer product queries paired with relevant listings, capturing rich intent, constraints, preferences, and shopping contexts that existing datasets largely miss. Using this benchmark, we conduct the first large-scale empirical study of e-commerce GEO, evaluating 15 common rewriting heuristics and comparing their empirical performance. To move beyond heuristics, we further formulate GEO as a tractable optimization problem and develop a lightweight iterative prompt-optimization algorithm that can significantly outperform these baselines. Surprisingly, the optimized prompts reveal a stable, domain-agnostic pattern--suggesting the existence of a "universally effective" GEO strategy. Our data and code are publicly available at https://github.com/psbagga17/E-GEO.

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

AI systems are increasingly capable of contributing to mathematical research. In research practice, frontier-model reasoning is a limited resource, and expert mathematical review is even more sharply constrained. Allocating these scarce resources well is therefore central to making AI-assisted mathematical discovery efficient. In most current AI-for-math workflows, human effort is concentrated at the beginning and end, in selecting suitable research problems and later reviewing the resulting artifacts. These two stages are becoming bottlenecks for research-level mathematics. We address them by proposing a new human-AI discovery paradigm. The human input is no longer a single problem selected in advance, but a research direction in which the experts have interest and expertise. The system then searches a broad literature corpus for candidate problems in that direction. Inspired by search and recommender systems, we build Find, Attempt, and Recommend (FAR), a literature-to-review cascade that automates the search for suitable problems and focuses human attention on artifacts that have passed several stages of filtering. In a combinatorics pilot, the pipeline starts from 5,245 combinatorics papers, recovers 6,453 candidate conjectures or open problems, and filters them to 4,717 apparently well-posed and still-open conjectures. Subsequent reasoning and automated triage stages surface 598 potential resolutions and select 77 items for author-team review. Among them, we identify many interesting discoveries, including results on conjectures and questions of Davies--Jenssen--Perkins--Roberts, Erdős--Straus, Ikenmeyer--Pak--Panova, and Lund--Saraf--Wolf. These results demonstrate the effectiveness of this new mode of human-AI collaboration for mathematical discovery.

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.

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.

Byte-Pair Encoding (BPE) is a popular algorithm used for tokenizing data in NLP, despite being devised initially as a compression method. BPE appears to be a greedy algorithm at face value, but the underlying optimization problem that BPE seeks to solve has not yet been laid down. We formalize BPE as a combinatorial optimization problem. Via submodular functions, we prove that the iterative greedy version is a 1{{sigma(mu^star)}}(1-e^{-{sigma(mu^star)}})-approximation of an optimal merge sequence, where {sigma(mu^star)} is the total backward curvature with respect to the optimal merge sequence mu^star. Empirically the lower bound of the approximation is approx 0.37. We provide a faster implementation of BPE which improves the runtime complexity from Oleft(N Mright) to Oleft(N log Mright), where N is the sequence length and M is the merge count. Finally, we optimize the brute-force algorithm for optimal BPE using memoization.

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

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

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

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}.

Since the adoption of large language models (LLMs) for text evaluation has become increasingly prevalent in the field of natural language processing (NLP), a series of existing works attempt to optimize the prompts for LLM evaluators to improve their alignment with human judgment. However, their efforts are limited to optimizing individual factors of evaluation prompts, such as evaluation criteria or output formats, neglecting the combinatorial impact of multiple factors, which leads to insufficient optimization of the evaluation pipeline. Nevertheless, identifying well-behaved prompting strategies for adjusting multiple factors requires extensive enumeration. To this end, we comprehensively integrate 8 key factors for evaluation prompts and propose a novel automatic prompting strategy optimization method called Heuristic Prompting Strategy Search (HPSS). Inspired by the genetic algorithm, HPSS conducts an iterative search to find well-behaved prompting strategies for LLM evaluators. A heuristic function is employed to guide the search process, enhancing the performance of our algorithm. Extensive experiments across four evaluation tasks demonstrate the effectiveness of HPSS, consistently outperforming both human-designed evaluation prompts and existing automatic prompt optimization methods. Our code is available at https://github.com/thu-coai/HPSS.

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

Large Language Models (LLMs) are increasingly used for automated algorithm design. However the computational cost of evaluating the generated algorithms can be excessive. We consider the common LLM-driven automated algorithm design (LLM4AD) setting in which a candidate algorithm is evaluated by aggregating its performance over a shared set of training instances. This instance-wise structure raises a natural question: must every candidate be evaluated on the entire instance set before deciding whether it remains competitive? Taking inspiration from algorithm configuration, we introduce AdaEva, a drop-in adaptive partial-evaluation framework that progressively evaluates candidates on larger subsets of the same instance pool and eliminates unpromising candidates as evidence accumulates. Importantly, AdaEva leaves the underlying LLM4AD procedure and per-instance evaluator unchanged and requires no prior knowledge about instance difficulty. We instantiate this idea using successive halving (AdaEva-S) and statistical racing (AdaEva-R), and evaluate both mechanisms across three representative LLM4AD frameworks, multiple LLM backbones, and optimization domains spanning combinatorial and continuous black-box optimization. Under matched evaluation budgets, AdaEva more reliably balances evaluation effort across candidates than fixed partial-evaluation strategies, yielding strong search efficiency and anytime performance together with improved held-out generalization across the evaluated settings.

We study the algorithm configuration (AC) problem, in which one seeks to find an optimal parameter configuration of a given target algorithm in an automated way. Recently, there has been significant progress in designing AC approaches that satisfy strong theoretical guarantees. However, a significant gap still remains between the practical performance of these approaches and state-of-the-art heuristic methods. To this end, we introduce AC-Band, a general approach for the AC problem based on multi-armed bandits that provides theoretical guarantees while exhibiting strong practical performance. We show that AC-Band requires significantly less computation time than other AC approaches providing theoretical guarantees while still yielding high-quality configurations.

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

We present AI-SARAH, a practical variant of SARAH. As a variant of SARAH, this algorithm employs the stochastic recursive gradient yet adjusts step-size based on local geometry. AI-SARAH implicitly computes step-size and efficiently estimates local Lipschitz smoothness of stochastic functions. It is fully adaptive, tune-free, straightforward to implement, and computationally efficient. We provide technical insight and intuitive illustrations on its design and convergence. We conduct extensive empirical analysis and demonstrate its strong performance compared with its classical counterparts and other state-of-the-art first-order methods in solving convex machine learning problems.

Combinatorial and optimization problems are fundamental to many industrial AI applications. Solving large-scale real-world instances of such problems typically requires careful problem formalization, specialized solvers, and expert-designed heuristics. Thus, experts need to specify not only what solutions are, but also how they are derived. By introducing the tool CHECKMATE, we show that algorithm generation via code evolution represents a paradigm shift by eliminating the need to formulate the how. CHECKMATE solely relies on the what. Specifically, a formal specification ensures solutions' correctness and enables systematic performance evaluation of the generated programs, while a natural language description guides the evolutionary process. The effectiveness of our method is demonstrated on selected problems from two industrial domains: configuration and scheduling. In all cases, the evolved algorithms consistently outperform state-of-the-art solvers. This underscores the potential of formal methods in guiding code evolution for automatically solving complex real-world problems.

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

Recently, Large Language Models (LLMs) have been increasingly able to solve advanced mathematical problems, including many that have been open for decades. This opens the door to expansion of mathematical knowledge at unprecedented scale. Yet, while LLMs may be able to conjecture and prove more and more theorems, it remains open whether this new mathematical knowledge is interesting or useful. We define intrinsic interestingness of a theorem as the ratio between the length of its proof and the length of its statement. We show that this correlates strongly with an extrinsic measure of the downstream utility of a theorem. We identify the difficulty of a proof conditioned on a set of premises as a useful primitive for computing these metrics, and train a 27B model that predicts proof difficulty more accurately than frontier general-purpose models. Optimizing for our metric creates a model capable of producing more interesting theorems, while also reducing substantial or full overlap with Mathlib from 91.9% to 30.6%, showcasing the creation of more out-of-distribution math. We show that our system can generate candidate theorems, select the most interesting among them, and iteratively build on a self-expanding mathematical library. These metrics provide a practical and quantifiable signal for ranking conjectures and guiding proof search within formal mathematical libraries. Our framework provides a path towards self-expanding, machine-verified mathematical libraries that can choose worthwhile statements without relying on human-supplied targets.

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

In evolutionary algorithms powered by language models, the LLM acts as a single operator that simultaneously updates structural components (like control flow) and continuous parameters. While LLMs can be good at the first, they are not efficient at the second, wasting tokens taking discrete jumps inside a trial and error loop. We resolve this by formalizing a hybrid nested search, in which an outer loop has the LLM propose a structural sketch, with numeric gaps, and an inner numerical optimizer tunes the sketch. Both the outer and inner solvers are pluggable: any text-based optimizer can be combined with a zero-order optimizer (CMA-ES), gradient-based routines, or MCMC samplers. We validate our framework across three scientific domains: (i) meta-optimizers on closed-form test functions, (ii) code-based policies for systems research and social dilemmas; and (iii) approximate Bayesian inference tasks. Across all three, the hybrid optimizer is superior to both vanilla LLM-driven search and pure numerical optimization baselines. Code at: https://github.com/vicgalle/hybrid-nested-search

As the use of large language models (LLMs) for code generation becomes more prevalent in software development, it is critical to enhance both the efficiency and correctness of the generated code. Existing methods and models primarily focus on the correctness of LLM-generated code, ignoring efficiency. In this work, we present Effi-Code, an approach to enhancing code generation in LLMs that can improve both efficiency and correctness. We introduce a Self-Optimization process based on Overhead Profiling that leverages open-source LLMs to generate a high-quality dataset of correct and efficient code samples. This dataset is then used to fine-tune various LLMs. Our method involves the iterative refinement of generated code, guided by runtime performance metrics and correctness checks. Extensive experiments demonstrate that models fine-tuned on the Effi-Code show significant improvements in both code correctness and efficiency across task types. For example, the pass@1 of DeepSeek-Coder-6.7B-Instruct generated code increases from 43.3\% to 76.8\%, and the average execution time for the same correct tasks decreases by 30.5\%. Effi-Code offers a scalable and generalizable approach to improving code generation in AI systems, with potential applications in software development, algorithm design, and computational problem-solving. The source code of Effi-Code was released in https://github.com/huangd1999/Effi-Code.

Effective code generation with language models hinges on two critical factors: accurately understanding the intent of the prompt and generating code that applies algorithmic reasoning to produce correct solutions capable of passing diverse test cases while adhering to the syntax of the target programming language. Unlike other language tasks, code generation requires more than accurate token prediction; it demands comprehension of solution-level and structural relationships rather than merely generating the most likely tokens. very large language model (VLLM) are capable of generating detailed steps toward the correct solution of complex tasks where reasoning is crucial in solving the problem. Such reasoning capabilities may be absent in smaller language models. Therefore, in this work, we distill the reasoning capabilities of a VLLM into a smaller, more efficient model that is faster and cheaper to deploy. Our approach trains the model to emulate the reasoning and problem-solving abilities of the VLLM by learning to identify correct solution pathways and establishing a structural correspondence between problem definitions and potential solutions through a novel method of structure-aware loss optimization. This enables the model to transcend token-level generation and to deeply grasp the overarching structure of solutions for given problems. Experimental results show that our fine-tuned model, developed through a cheap and simple to implement process, significantly outperforms our baseline model in terms of pass@1, average data flow, and average syntax match metrics across the MBPP, MBPP Plus, and HumanEval benchmarks.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

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

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

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.

Stochastic optimization is one of the central problems in Machine Learning and Theoretical Computer Science. In the standard model, the algorithm is given a fixed distribution known in advance. In practice though, one may acquire at a cost extra information to make better decisions. In this paper, we study how to buy information for stochastic optimization and formulate this question as an online learning problem. Assuming the learner has an oracle for the original optimization problem, we design a 2-competitive deterministic algorithm and a e/(e-1)-competitive randomized algorithm for buying information. We show that this ratio is tight as the problem is equivalent to a robust generalization of the ski-rental problem, which we call super-martingale stopping. We also consider an adaptive setting where the learner can choose to buy information after taking some actions for the underlying optimization problem. We focus on the classic optimization problem, Min-Sum Set Cover, where the goal is to quickly find an action that covers a given request drawn from a known distribution. We provide an 8-competitive algorithm running in polynomial time that chooses actions and decides when to buy information about the underlying request.

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.

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

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

Learning effective numerical representations, or embeddings, of programs is a fundamental prerequisite for applying machine learning to automate and enhance compiler optimization. Prevailing paradigms, however, present a dilemma. Static representations, derived from source code or intermediate representation (IR), are efficient and deterministic but offer limited insight into how a program will behave or evolve under complex code transformations. Conversely, dynamic representations, which rely on runtime profiling, provide profound insights into performance bottlenecks but are often impractical for large-scale tasks due to prohibitive overhead and inherent non-determinism. This paper transcends this trade-off by proposing a novel quasi-dynamic framework for program representation. The core insight is to model a program's optimization sensitivity. We introduce the Program Behavior Spectrum, a new representation generated by probing a program's IR with a diverse set of optimization sequences and quantifying the resulting changes in its static features. To effectively encode this high-dimensional, continuous spectrum, we pioneer a compositional learning approach. Product Quantization is employed to discretize the continuous reaction vectors into structured, compositional sub-words. Subsequently, a multi-task Transformer model, termed PQ-BERT, is pre-trained to learn the deep contextual grammar of these behavioral codes. Comprehensive experiments on two representative compiler optimization tasks -- Best Pass Prediction and -Oz Benefit Prediction -- demonstrate that our method outperforms state-of-the-art static baselines. Our code is publicly available at https://github.com/Panhaolin2001/PREP/.

Code generation models have shown significant potential for programming tasks. However, existing training methods like supervised fine-tuning face key limitations: they do not effectively teach models to prioritize correct over incorrect solutions in ambiguous situations, nor do they effectively optimize the runtime efficiency of the generated code. To address these challenges, we propose CodeDPO, a framework that integrates preference learning into code generation to improve two key code preference factors: code correctness and efficiency. CodeDPO employs a novel dataset construction method, utilizing a self-generation-and-validation mechanism that simultaneously generates and evaluates code and test cases. The underlying assumption is that test cases executable by multiple code snippets provide more reliable validation, and code that passes more tests is more likely to be correct. Through this self-validation process, our PageRank-inspired algorithm iteratively updates the ranking score of each code snippet, ultimately creating a code preference optimization dataset based on correctness and efficiency. CodeDPO is flexible and scalable, generating diverse preference optimization data without depending on external resources. Through comprehensive evaluations of five widely used benchmarks, CodeDPO demonstrates significant improvements in correctness and efficiency compared to existing methods. Our experiments prove that CodeDPO enhances the capabilities of LLMs in code generation and provides a robust foundation for conducting code preference optimization in more complex and challenging real-world scenarios.

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

We introduce LLM4AD, a unified Python platform for algorithm design (AD) with large language models (LLMs). LLM4AD is a generic framework with modularized blocks for search methods, algorithm design tasks, and LLM interface. The platform integrates numerous key methods and supports a wide range of algorithm design tasks across various domains including optimization, machine learning, and scientific discovery. We have also designed a unified evaluation sandbox to ensure a secure and robust assessment of algorithms. Additionally, we have compiled a comprehensive suite of support resources, including tutorials, examples, a user manual, online resources, and a dedicated graphical user interface (GUI) to enhance the usage of LLM4AD. We believe this platform will serve as a valuable tool for fostering future development in the merging research direction of LLM-assisted algorithm design.

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

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.

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

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

Since the emergence of large language models, prompt learning has become a popular method for optimizing and customizing these models. Special prompts, such as Chain-of-Thought, have even revealed previously unknown reasoning capabilities within these models. However, the progress of discovering effective prompts has been slow, driving a desire for general prompt optimization methods. Unfortunately, few existing prompt learning methods satisfy the criteria of being truly "general", i.e., automatic, discrete, black-box, gradient-free, and interpretable all at once. In this paper, we introduce metaheuristics, a branch of discrete non-convex optimization methods with over 100 options, as a promising approach to prompt learning. Within our paradigm, we test six typical methods: hill climbing, simulated annealing, genetic algorithms with/without crossover, tabu search, and harmony search, demonstrating their effectiveness in black-box prompt learning and Chain-of-Thought prompt tuning. Furthermore, we show that these methods can be used to discover more human-understandable prompts that were previously unknown, opening the door to a cornucopia of possibilities in prompt optimization. We release all the codes in https://github.com/research4pan/Plum.

Despite progress in language model (LM) capabilities, evaluations have thus far focused on models' performance on tasks that humans have previously solved, including in programming (Jimenez et al., 2024) and mathematics (Glazer et al., 2024). We therefore propose testing models' ability to design and implement algorithms in an open-ended benchmark: We task LMs with writing code that efficiently solves computationally challenging problems in computer science, physics, and mathematics. Our AlgoTune benchmark consists of 154 coding tasks collected from domain experts and a framework for validating and timing LM-synthesized solution code, which is compared to reference implementations from popular open-source packages. In addition, we develop a baseline LM agent, AlgoTuner, and evaluate its performance across a suite of frontier models. AlgoTuner uses a simple, budgeted loop that edits code, compiles and runs it, profiles performance, verifies correctness on tests, and selects the fastest valid version. AlgoTuner achieves an average 1.72x speedup against our reference solvers, which use libraries such as SciPy, sk-learn and CVXPY. However, we find that current models fail to discover algorithmic innovations, instead preferring surface-level optimizations. We hope that AlgoTune catalyzes the development of LM agents exhibiting creative problem solving beyond state-of-the-art human performance.

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

The current best bounds on the matrix multiplication exponent ω are obtained through a refinement of the laser method called combination loss analysis (Duan et al., 2022; Williams et al., 2024; Alman et al., 2025). In this note, we address the optimization problem at the core of this approach and propose several improvements. First, we reformulate the optimization problem allowing us to solve it in a larger setting than was previously possible. Second, we leverage recent advances in machine learning to design a new optimization algorithm for this problem. Finally, we refine the resulting optimization algorithm with AlphaEvolve. Our combined approach yields an upper bound of ω < 2.371177, improving the previous best bound of 2.371339.

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

We present the design and implementation of a custom discrete optimization technique for building rule lists over a categorical feature space. Our algorithm produces rule lists with optimal training performance, according to the regularized empirical risk, with a certificate of optimality. By leveraging algorithmic bounds, efficient data structures, and computational reuse, we achieve several orders of magnitude speedup in time and a massive reduction of memory consumption. We demonstrate that our approach produces optimal rule lists on practical problems in seconds. Our results indicate that it is possible to construct optimal sparse rule lists that are approximately as accurate as the COMPAS proprietary risk prediction tool on data from Broward County, Florida, but that are completely interpretable. This framework is a novel alternative to CART and other decision tree methods for interpretable modeling.

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

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code will be available at https://github.com/geekan/MetaGPT.

This paper presents a computationally efficient machine-learned method for natural language response suggestion. Feed-forward neural networks using n-gram embedding features encode messages into vectors which are optimized to give message-response pairs a high dot-product value. An optimized search finds response suggestions. The method is evaluated in a large-scale commercial e-mail application, Inbox by Gmail. Compared to a sequence-to-sequence approach, the new system achieves the same quality at a small fraction of the computational requirements and latency.

Large Language Models (LLMs) demonstrate strong capabilities in general coding tasks but encounter two key challenges when optimizing code: (i) the complexity of writing optimized code (such as performant CUDA kernels and competition-level CPU code) requires expertise in systems, algorithms and specific languages and (ii) requires interpretation of performance metrics like timing and device utilization beyond binary correctness. In this work, we explore inference-time search algorithms that guide the LLM to discover better solutions through iterative refinement based on execution feedback. Our approach, called MaxCode unifies existing search methods under a max-reward reinforcement learning framework, making the observation and action-value functions modular for modification. To enhance the observation space, we integrate a natural language critique model that converts raw execution feedback into diagnostic insights about errors and performance bottlenecks, and the best-discounted reward seen so far. Together, these provide richer input to the code proposal function. To improve exploration during search, we train a generative reward-to-go model using action values from rollouts to rerank potential solutions. Testing on the KernelBench (CUDA) and PIE (C++) optimization benchmarks shows that MaxCode improves optimized code performance compared to baselines, achieving 20.3% and 10.1% relative improvements in absolute speedup value and relative speedup ranking, respectively.

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

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

We address the problem of optimizing a Brownian motion. We consider a (random) realization W of a Brownian motion with input space in [0,1]. Given W, our goal is to return an ε-approximation of its maximum using the smallest possible number of function evaluations, the sample complexity of the algorithm. We provide an algorithm with sample complexity of order log^2(1/ε). This improves over previous results of Al-Mharmah and Calvin (1996) and Calvin et al. (2017) which provided only polynomial rates. Our algorithm is adaptive---each query depends on previous values---and is an instance of the optimism-in-the-face-of-uncertainty principle.

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

Scaling LLM-based optimization from textbook-scale instances to real-world, industrial tasks remains a critical open challenge. Existing approaches are predominantly evaluated on small, self-contained textual problems and often commit to a solver-integrated paradigm, limiting their ability to handle the scale and structural diversity of practical optimization workloads. In this work, we propose a practical framework for training open-source LLMs to tackle real-world, industrial-scale optimization. We first show empirically that solver-integrated reasoning, exact combinatorial algorithm, and heuristic search exhibit complementary strengths across different problem structures and scales. Motivated by this, we introduce Strategy-Diverse Reinforcement Learning (SDRL), which trains LLMs as adaptive optimization meta-solvers. SDRL leverages this complementarity through a correctness-gated hierarchical diversity reward that promotes robust exploration across varying strategies and within each strategy, effectively preventing premature strategy collapse. We further introduce a mixed-format training scheme that jointly supports both self-contained textual problems and file-grounded instances. Across comprehensive evaluations, our framework outperforms existing fine-tuned methods and frontier models including DeepSeek-V4-Pro and GPT-5.5, both on average across benchmarks and on industrial-scale optimization tasks.

The study emphasizes the challenge of finding the optimal trade-off between bias and variance, especially as hyperparameter optimization increases in complexity. Through empirical analysis, three hyperparameter tuning algorithms Tree-structured Parzen Estimator (TPE), Genetic Search, and Random Search are evaluated across regression and classification tasks. The results show that nonlinear models, with properly tuned hyperparameters, significantly outperform linear models. Interestingly, Random Search excelled in regression tasks, while TPE was more effective for classification tasks. This suggests that there is no one-size-fits-all solution, as different algorithms perform better depending on the task and model type. The findings underscore the importance of selecting the appropriate tuning method and highlight the computational challenges involved in optimizing machine learning models, particularly as search spaces expand.

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard retrieval-augmented generation. Recently, numerous studies have explored Deep Research (DR), which aims to combine the reasoning capabilities of LLMs with external tools, such as search engines, thereby empowering LLMs to act as research agents capable of completing complex, open-ended tasks. This survey presents a comprehensive and systematic overview of deep research systems, including a clear roadmap, foundational components, practical implementation techniques, important challenges, and future directions. Specifically, our main contributions are as follows: (i) we formalize a three-stage roadmap and distinguish deep research from related paradigms; (ii) we introduce four key components: query planning, information acquisition, memory management, and answer generation, each paired with fine-grained sub-taxonomies; (iii) we summarize optimization techniques, including prompting, supervised fine-tuning, and agentic reinforcement learning; and (iv) we consolidate evaluation criteria and open challenges, aiming to guide and facilitate future development. As the field of deep research continues to evolve rapidly, we are committed to continuously updating this survey to reflect the latest progress in this area.

Instance-specific algorithm configuration and algorithm portfolios have been shown to offer significant improvements over single algorithm approaches in a variety of application domains. In the SAT and CSP domains algorithm portfolios have consistently dominated the main competitions in these fields for the past five years. For a portfolio approach to be effective there are two crucial conditions that must be met. First, there needs to be a collection of complementary solvers with which to make a portfolio. Second, there must be a collection of problem features that can accurately identify structural differences between instances. This paper focuses on the latter issue: feature representation, because, unlike SAT, not every problem has well-studied features. We employ the well-known SATzilla feature set, but compute alternative sets on different SAT encodings of CSPs. We show that regardless of what encoding is used to convert the instances, adequate structural information is maintained to differentiate between problem instances, and that this can be exploited to make an effective portfolio-based CSP solver.

Prompt engineering is very important to enhance the performance of large language models (LLMs). When dealing with complex issues, prompt engineers tend to distill multiple patterns from examples and inject relevant solutions to optimize the prompts, achieving satisfying results. However, existing automatic prompt optimization techniques are only limited to producing single flow instructions, struggling with handling diverse patterns. In this paper, we present AMPO, an automatic prompt optimization method that can iteratively develop a multi-branched prompt using failure cases as feedback. Our goal is to explore a novel way of structuring prompts with multi-branches to better handle multiple patterns in complex tasks, for which we introduce three modules: Pattern Recognition, Branch Adjustment, and Branch Pruning. In experiments across five tasks, AMPO consistently achieves the best results. Additionally, our approach demonstrates significant optimization efficiency due to our adoption of a minimal search strategy.

This work proposes a procedure for designing algorithms for specific adaptive data collection tasks like active learning and pure-exploration multi-armed bandits. Unlike the design of traditional adaptive algorithms that rely on concentration of measure and careful analysis to justify the correctness and sample complexity of the procedure, our adaptive algorithm is learned via adversarial training over equivalence classes of problems derived from information theoretic lower bounds. In particular, a single adaptive learning algorithm is learned that competes with the best adaptive algorithm learned for each equivalence class. Our procedure takes as input just the available queries, set of hypotheses, loss function, and total query budget. This is in contrast to existing meta-learning work that learns an adaptive algorithm relative to an explicit, user-defined subset or prior distribution over problems which can be challenging to define and be mismatched to the instance encountered at test time. This work is particularly focused on the regime when the total query budget is very small, such as a few dozen, which is much smaller than those budgets typically considered by theoretically derived algorithms. We perform synthetic experiments to justify the stability and effectiveness of the training procedure, and then evaluate the method on tasks derived from real data including a noisy 20 Questions game and a joke recommendation task.

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

We give a very general and simple framework to incorporate predictions on requests for online covering problems in a rigorous and black-box manner. Our framework turns any online algorithm with competitive ratio ρ(k, cdot) depending on k, the number of arriving requests, into an algorithm with competitive ratio of ρ(η, cdot), where η is the prediction error. With accurate enough prediction, the resulting competitive ratio breaks through the corresponding worst-case online lower bounds, and smoothly degrades as the prediction error grows. This framework directly applies to a wide range of well-studied online covering problems such as facility location, Steiner problems, set cover, parking permit, etc., and yields improved and novel bounds.

We investigate the potential of GPT-4~gpt4 to perform Neural Architecture Search (NAS) -- the task of designing effective neural architectures. Our proposed approach, GPT-4 Enhanced Neural archItectUre Search (GENIUS), leverages the generative capabilities of GPT-4 as a black-box optimiser to quickly navigate the architecture search space, pinpoint promising candidates, and iteratively refine these candidates to improve performance. We assess GENIUS across several benchmarks, comparing it with existing state-of-the-art NAS techniques to illustrate its effectiveness. Rather than targeting state-of-the-art performance, our objective is to highlight GPT-4's potential to assist research on a challenging technical problem through a simple prompting scheme that requires relatively limited domain expertiseCode available at \href{https://github.com/mingkai-zheng/GENIUS{https://github.com/mingkai-zheng/GENIUS}.}. More broadly, we believe our preliminary results point to future research that harnesses general purpose language models for diverse optimisation tasks. We also highlight important limitations to our study, and note implications for AI safety.

We design a suite of minimal algorithmic tasks that are a loose abstraction of open-ended real-world tasks. This allows us to cleanly and controllably quantify the creative limits of the present-day language model. Much like real-world tasks that require a creative, far-sighted leap of thought, our tasks require an implicit, open-ended stochastic planning step that either (a) discovers new connections in an abstract knowledge graph (like in wordplay, drawing analogies, or research) or (b) constructs new patterns (like in designing math problems or new proteins). In these tasks, we empirically and conceptually argue how next-token learning is myopic and memorizes excessively; comparatively, multi-token approaches, namely teacherless training and diffusion models, excel in producing diverse and original output. Secondly, in our tasks, we find that to elicit randomness from the Transformer without hurting coherence, it is better to inject noise right at the input layer (via a method we dub hash-conditioning) rather than defer to temperature sampling from the output layer. Thus, our work offers a principled, minimal test-bed for analyzing open-ended creative skills, and offers new arguments for going beyond next-token learning and softmax-based sampling. We make part of the code available under https://github.com/chenwu98/algorithmic-creativity

This paper studies using foundational large language models (LLMs) to make decisions during hyperparameter optimization (HPO). Empirical evaluations demonstrate that in settings with constrained search budgets, LLMs can perform comparably or better than traditional HPO methods like random search and Bayesian optimization on standard benchmarks. Furthermore, we propose to treat the code specifying our model as a hyperparameter, which the LLM outputs, going beyond the capabilities of existing HPO approaches. Our findings suggest that LLMs are a promising tool for improving efficiency in the traditional decision-making problem of hyperparameter optimization.

We present two different methods for estimating the cost of solving SAT problems. The methods focus on the online behaviour of the backtracking solver, as well as the structure of the problem. Modern SAT solvers present several challenges to estimate search cost including coping with nonchronological backtracking, learning and restarts. Our first method adapt an existing algorithm for estimating the size of a search tree to deal with these challenges. We then suggest a second method that uses a linear model trained on data gathered online at the start of search. We compare the effectiveness of these two methods using random and structured problems. We also demonstrate that predictions made in early restarts can be used to improve later predictions. We conclude by showing that the cost of solving a set of problems can be reduced by selecting a solver from a portfolio based on such cost estimations.

Language models (LMs) built upon deep neural networks (DNNs) have recently demonstrated breakthrough effectiveness in software engineering tasks such as code generation, completion, and repair. This has paved the way for the emergence of LM-based code optimization techniques, which are crucial for enhancing the performance of existing programs, such as accelerating program execution time. However, a comprehensive survey dedicated to this specific application has been lacking. To fill this gap, we present a systematic literature review of over 50 primary studies, identifying emerging trends and addressing 11 specialized questions. Our findings reveal five critical open challenges, such as balancing model complexity with practical usability, cross-language/performance generalizability, and building trust in AI-driven solutions. Furthermore, we provide eight future research directions to facilitate more efficient, robust, and reliable LM-based code optimization. Thereby, this study aims to provide actionable insights and foundational references for both researchers and practitioners in this rapidly evolving field.

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