Daily Papers

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master.

The Natural Language for Optimization (NL4Opt) Competition was created to investigate methods of extracting the meaning and formulation of an optimization problem based on its text description. Specifically, the goal of the competition is to increase the accessibility and usability of optimization solvers by allowing non-experts to interface with them using natural language. We separate this challenging goal into two sub-tasks: (1) recognize and label the semantic entities that correspond to the components of the optimization problem; (2) generate a meaning representation (i.e., a logical form) of the problem from its detected problem entities. The first task aims to reduce ambiguity by detecting and tagging the entities of the optimization problems. The second task creates an intermediate representation of the linear programming (LP) problem that is converted into a format that can be used by commercial solvers. In this report, we present the LP word problem dataset and shared tasks for the NeurIPS 2022 competition. Furthermore, we investigate and compare the performance of the ChatGPT large language model against the winning solutions. Through this competition, we hope to bring interest towards the development of novel machine learning applications and datasets for optimization modeling.

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.

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

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

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.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

The DC Optimal Power Flow (DC-OPF) problem is fundamental to power system operations, requiring rapid solutions for real-time grid management. While traditional optimization solvers provide optimal solutions, their computational cost becomes prohibitive for large-scale systems requiring frequent recalculations. Machine learning approaches offer promise for acceleration but often struggle with constraint satisfaction and cost optimality. We present a novel two-stage learning framework that combines physics-informed Graph Neural Networks (GNNs) with Continuous Flow Matching (CFM) for solving DC-OPF problems. Our approach embeds fundamental physical principles--including economic dispatch optimality conditions, Kirchhoff's laws, and Karush-Kuhn-Tucker (KKT) complementarity conditions--directly into the training objectives. The first stage trains a GNN to produce feasible initial solutions by learning from physics-informed losses that encode power system constraints. The second stage employs CFM, a simulation-free continuous normalizing flow technique, to refine these solutions toward optimality through learned vector field regression. Evaluated on the IEEE 30-bus system across five load scenarios ranging from 70\% to 130\% nominal load, our method achieves near-optimal solutions with cost gaps below 0.1\% for nominal loads and below 3\% for extreme conditions, while maintaining 100\% feasibility. Our framework bridges the gap between fast but approximate neural network predictions and optimal but slow numerical solvers, offering a practical solution for modern power systems with high renewable penetration requiring frequent dispatch updates.

The Machine Learning for Combinatorial Optimization (ML4CO) NeurIPS 2021 competition aims to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. On the dual task, we design models to make branching decisions to promote the dual bound increase faster. We propose a knowledge inheritance method to generalize knowledge of different models from the dataset aggregation process, named KIDA. Our improvement overcomes some defects of the baseline graph-neural-networks-based methods. Further, we won the 1st Place on the dual task. We hope this report can provide useful experience for developers and researchers. The code is available at https://github.com/megvii-research/NeurIPS2021-ML4CO-KIDA.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

Vehicle Routing Problems (VRP) are an extension of the Traveling Salesperson Problem and are a fundamental NP-hard challenge in combinatorial optimization. Solving VRP in real-time at large scale has become critical in numerous applications, from growing markets like last-mile delivery to emerging use-cases like interactive logistics planning. Such applications involve solving similar problem instances repeatedly, yet current state-of-the-art solvers treat each instance on its own without leveraging previous examples. We introduce a novel optimization framework that uses a reinforcement learning agent - trained on prior instances - to quickly generate initial solutions, which are then further optimized by genetic algorithms. Our framework, Evolutionary Algorithm with Reinforcement Learning Initialization (EARLI), consistently outperforms current state-of-the-art solvers across various time scales. For example, EARLI handles vehicle routing with 500 locations within 1s, 10x faster than current solvers for the same solution quality, enabling applications like real-time and interactive routing. EARLI can generalize to new data, as demonstrated on real e-commerce delivery data of a previously unseen city. Our hybrid framework presents a new way to combine reinforcement learning and genetic algorithms, paving the road for closer interdisciplinary collaboration between AI and optimization communities towards real-time optimization in diverse domains.

Optimization problems are pervasive across various sectors, from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers, as the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. We introduce OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve MILP problems from their natural language descriptions. OptiMUS is capable of developing mathematical models, writing and debugging solver code, developing tests, and checking the validity of generated solutions. To benchmark our agent, we present NLP4LP, a novel dataset of linear programming (LP) and mixed integer linear programming (MILP) problems. Our experiments demonstrate that OptiMUS solves nearly twice as many problems as a basic LLM prompting strategy. OptiMUS code and NLP4LP dataset are available at https://github.com/teshnizi/OptiMUS{https://github.com/teshnizi/OptiMUS}

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. This paper introduces OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve (mixed integer) linear programming problems from their natural language descriptions. OptiMUS can develop mathematical models, write and debug solver code, evaluate the generated solutions, and improve its model and code based on these evaluations. OptiMUS utilizes a modular structure to process problems, allowing it to handle problems with long descriptions and complex data without long prompts. Experiments demonstrate that OptiMUS outperforms existing state-of-the-art methods on easy datasets by more than 20% and on hard datasets (including a new dataset, NLP4LP, released with this paper that features long and complex problems) by more than 30%.

Neural network-based Combinatorial Optimization (CO) methods have shown promising results in solving various NP-complete (NPC) problems without relying on hand-crafted domain knowledge. This paper broadens the current scope of neural solvers for NPC problems by introducing a new graph-based diffusion framework, namely DIFUSCO. Our framework casts NPC problems as discrete {0, 1}-vector optimization problems and leverages graph-based denoising diffusion models to generate high-quality solutions. We investigate two types of diffusion models with Gaussian and Bernoulli noise, respectively, and devise an effective inference schedule to enhance the solution quality. We evaluate our methods on two well-studied NPC combinatorial optimization problems: Traveling Salesman Problem (TSP) and Maximal Independent Set (MIS). Experimental results show that DIFUSCO strongly outperforms the previous state-of-the-art neural solvers, improving the performance gap between ground-truth and neural solvers from 1.76% to 0.46% on TSP-500, from 2.46% to 1.17% on TSP-1000, and from 3.19% to 2.58% on TSP10000. For the MIS problem, DIFUSCO outperforms the previous state-of-the-art neural solver on the challenging SATLIB benchmark.

Machine learning (ML) has demonstrated considerable potential in supporting model design and optimization for combinatorial optimization (CO) problems. However, much of the progress to date has been evaluated on small-scale, synthetic datasets, raising concerns about the practical effectiveness of ML-based solvers in real-world, large-scale CO scenarios. Additionally, many existing CO benchmarks lack sufficient training data, limiting their utility for evaluating data-driven approaches. To address these limitations, we introduce FrontierCO, a comprehensive benchmark that covers eight canonical CO problem types and evaluates 16 representative ML-based solvers--including graph neural networks and large language model (LLM) agents. FrontierCO features challenging instances drawn from industrial applications and frontier CO research, offering both realistic problem difficulty and abundant training data. Our empirical results provide critical insights into the strengths and limitations of current ML methods, helping to guide more robust and practically relevant advances at the intersection of machine learning and combinatorial optimization. Our data is available at https://huggingface.co/datasets/CO-Bench/FrontierCO.

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

Learning-based methods have gained attention as general-purpose solvers due to their ability to automatically learn problem-specific heuristics, reducing the need for manually crafted heuristics. However, these methods often face scalability challenges. To address these issues, the improved Sampling algorithm for Combinatorial Optimization (iSCO), using discrete Langevin dynamics, has been proposed, demonstrating better performance than several learning-based solvers. This study proposes a different approach that integrates gradient-based update through continuous relaxation, combined with Quasi-Quantum Annealing (QQA). QQA smoothly transitions the objective function, starting from a simple convex function, minimized at half-integral values, to the original objective function, where the relaxed variables are minimized only in the discrete space. Furthermore, we incorporate parallel run communication leveraging GPUs to enhance exploration capabilities and accelerate convergence. Numerical experiments demonstrate that our method is a competitive general-purpose solver, achieving performance comparable to iSCO and learning-based solvers across various benchmark problems. Notably, our method exhibits superior speed-quality trade-offs for large-scale instances compared to iSCO, learning-based solvers, commercial solvers, and specialized algorithms.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.

This work proposes a simple yet effective sampling framework for combinatorial optimization (CO). Our method builds on discrete Langevin dynamics (LD), an efficient gradient-guided generative paradigm. However, we observe that directly applying LD often leads to limited exploration. To overcome this limitation, we propose the Regularized Langevin Dynamics (RLD), which enforces an expected distance between the sampled and current solutions, effectively avoiding local minima. We develop two CO solvers on top of RLD, one based on simulated annealing (SA), and the other one based on neural network (NN). Empirical results on three classic CO problems demonstrate that both of our methods can achieve comparable or better performance against the previous state-of-the-art (SOTA) SA- and NN-based solvers. In particular, our SA algorithm reduces the runtime of the previous SOTA SA method by up to 80\%, while achieving equal or superior performance. In summary, RLD offers a promising framework for enhancing both traditional heuristics and NN models to solve CO problems. Our code is available at https://github.com/Shengyu-Feng/RLD4CO.

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

Large Language Models (LLMs) exhibit robust problem-solving capabilities for diverse tasks. However, most LLM-based agents are designed as specific task solvers with sophisticated prompt engineering, rather than agents capable of learning and evolving through interactions. These task solvers necessitate manually crafted prompts to inform task rules and regulate LLM behaviors, inherently incapacitating to address complex dynamic scenarios e.g., large interactive games. In light of this, we propose Agent-Pro: an LLM-based Agent with Policy-level Reflection and Optimization that can learn a wealth of expertise from interactive experiences and progressively elevate its behavioral policy. Specifically, it involves a dynamic belief generation and reflection process for policy evolution. Rather than action-level reflection, Agent-Pro iteratively reflects on past trajectories and beliefs, fine-tuning its irrational beliefs for a better policy. Moreover, a depth-first search is employed for policy optimization, ensuring continual enhancement in policy payoffs. Agent-Pro is evaluated across two games: Blackjack and Texas Hold'em, outperforming vanilla LLM and specialized models. Our results show Agent-Pro can learn and evolve in complex and dynamic scenes, which also benefits numerous LLM-based applications.

The recent "Reasoning with Video" paradigm utilizes Video Generation Models (VGMs) to generate temporally coherent visual trajectories to complete reasoning tasks. Although state-of-the-art VGMs excel at visual quality, they often struggle to understand and follow task-specific rules, leading to logical failures across diverse reasoning scenarios. Existing efforts try to utilize Vision-Language Models (VLMs) as problem pre-solvers to produce or refine textual guidance for the VGM. However, textual descriptions fail to capture intricate spatiotemporal details, and VGMs often struggle to faithfully execute fine-grained or long-tail instructions even with a valid plan. While VLMs struggle as solvers, they possess strong perception capabilities to evaluate process-constraint satisfaction and final-goal achievement. Leveraging this strength, we introduce a paradigm shift that transitions the role of VLMs to "teachers". Specifically, a VLM teacher extracts task-specific rules to formulate differentiable rewards, guiding a VGM Reasoner via test-time online optimization of a lightweight LoRA module. This strategy enables adaptive test-time optimization and extends the reasoning capabilities beyond the VGM's intrinsic boundaries. Evaluations on symbolic (VBVR-Bench) and general-purpose (RULER-Bench) video reasoning benchmarks show that the proposed method yields a 16.7-point average performance gain, outperforming the VLM-as-Solver paradigm (+0.4 points) and Best-of-N scaling (+2.2 points) by a large margin at comparable test-time cost. These findings reveal that integrating VLMs as test-time teachers offers a promising paradigm for achieving generalizable video reasoning. Project Page: https://VLM-as-Teacher.github.io/

Neural representations (NRs), such as neural fields and 3D Gaussians, effectively model volumetric data in computed tomography (CT) but suffer from severe artifacts under sparse-view settings. To address this, we propose DiffNR, a novel framework that enhances NR optimization with diffusion priors. At its core is SliceFixer, a single-step diffusion model designed to correct artifacts in degraded slices. We integrate specialized conditioning layers into the network and develop tailored data curation strategies to support model finetuning. During reconstruction, SliceFixer periodically generates pseudo-reference volumes, providing auxiliary 3D perceptual supervision to fix underconstrained regions. Compared to prior methods that embed CT solvers into time-consuming iterative denoising, our repair-and-augment strategy avoids frequent diffusion model queries, leading to better runtime performance. Extensive experiments show that DiffNR improves PSNR by 3.99 dB on average, generalizes well across domains, and maintains efficient optimization.

Efficient operator scheduling is a fundamental challenge in software compilation and hardware synthesis. While recent differentiable approaches have sought to replace traditional ones like exact solvers or heuristics with gradient-based search, they typically rely on categorical distributions that fail to capture the ordinal nature of time and suffer from a parameter space that scales poorly. In this paper, we propose a novel differentiable framework, GauS, that models operator scheduling as a stochastic relaxation using Gaussian distributions, which fully utilize modern parallel computing devices like GPUs. By representing schedules as continuous Gaussian variables, we successfully capture the ordinal nature of time and reduce the optimization space by orders of magnitude. Our method is highly flexible to represent various objectives and constraints, which provides the first differentiable formulation for the complex pipelined scheduling problem. We evaluate our method on a range of benchmarks, demonstrating that Gaus achieves Pareto-optimal results.

The Capacitated Vehicle Routing Problem (CVRP) is a fundamental NP-hard problem in logistics. Augmented Lagrangian Methods (ALM) for solving CVRP performance depends heavily on well-tuned penalty parameters. In this paper, we propose a hybrid optimization approach that integrates deep reinforcement learning (RL) to automate the selection of penalty parameter values within both classical (RL-C-ALM) and quantum-enhanced (RL-Q-ALM) ALM solvers. Using Soft Actor-Critic, our approach learns penalty values from CVRP instance features and constraint violations. In RL-Q-ALM, subproblems are encoded as QUBOs and solved using Variational Quantum Eigensolvers (VQE). The agent learns across episodes by maximizing solution feasibility and minimizing cost. Experiments show that RL-C-ALM outperforms manually tuned ALM on synthetic and benchmark CVRP instances, achieving better solutions with fewer iterations. Also, RL-Q-ALM matches classical solution quality on small instances but incurs higher runtimes due to quantum overhead. Our results highlight the potential of combining RL with classical and quantum solvers for scalable, adaptive combinatorial optimization.

The numerical solution of partial differential equations (PDEs) is difficult, having led to a century of research so far. Recently, there have been pushes to build neural--numerical hybrid solvers, which piggy-backs the modern trend towards fully end-to-end learned systems. Most works so far can only generalize over a subset of properties to which a generic solver would be faced, including: resolution, topology, geometry, boundary conditions, domain discretization regularity, dimensionality, etc. In this work, we build a solver, satisfying these properties, where all the components are based on neural message passing, replacing all heuristically designed components in the computation graph with backprop-optimized neural function approximators. We show that neural message passing solvers representationally contain some classical methods, such as finite differences, finite volumes, and WENO schemes. In order to encourage stability in training autoregressive models, we put forward a method that is based on the principle of zero-stability, posing stability as a domain adaptation problem. We validate our method on various fluid-like flow problems, demonstrating fast, stable, and accurate performance across different domain topologies, equation parameters, discretizations, etc., in 1D and 2D.

Shampoo is one of the leading approximate second-order optimizers: a variant of it has won the MLCommons AlgoPerf competition, and it has been shown to produce models with lower activation outliers that are easier to compress. Yet, applying Shampoo currently comes at the cost of significant computational slowdown, due to its expensive internal operations. In this paper, we take a significant step to address this shortcoming by proposing \method (for Distributed Accelerated SHampoo), a faster implementation of Distributed Shampoo based on two main new techniques: First, we show that preconditioner blocks can be stacked into 3D tensors to significantly improve GPU utilization; second, we introduce the Newton-DB iteration and the Chebyshev polynomial approximations as novel and faster approaches for computing the inverse matrix roots required by Shampoo. Along with these algorithmic contributions, we provide a first in-depth analysis of how matrix scaling critically affects Shampoo convergence. On the practical side, our GPU-aware implementation achieves up to 4.83times faster optimizer steps compared to the well-optimized Distributed Shampoo, while Newton-DB attains the lowest validation perplexity per iteration among all tested methods. Our code is available at https://github.com/IST-DASLab/DASH.

Traditional approaches to portfolio optimization, often rooted in Modern Portfolio Theory and solved via quadratic programming or evolutionary algorithms, struggle with scalability or flexibility, especially in scenarios involving complex constraints, large datasets and/or multiple conflicting objectives. To address these challenges, we introduce a benchmark framework for multi-objective portfolio optimization (MPO) using gradient descent with automatic differentiation. Our method supports any optimization objective, such as minimizing risk measures (e.g., CVaR) or maximizing Sharpe ratio, along with realistic constraints, such as tracking error limits, UCITS regulations, or asset group restrictions. We have evaluated our framework across six experimental scenarios, from single-objective setups to complex multi-objective cases, and have compared its performance against standard solvers like CVXPY and SKFOLIO. Our results show that our method achieves competitive performance while offering enhanced flexibility for modeling multiple objectives and constraints. We aim to provide a practical and extensible tool for researchers and practitioners exploring advanced portfolio optimization problems in real-world conditions.

Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose SurCo that learns linear text{Sur}rogate costs which can be used in existing text{Co}mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three SurCo variants: SurCo-zero for individual nonlinear problems, SurCo-prior for problem distributions, and SurCo-hybrid to combine both distribution and problem-specific information. We give theoretical intuition motivating SurCo, and evaluate it empirically. Experiments show that SurCo finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

Robotic dexterous grasping is important for interacting with the environment. To unleash the potential of data-driven models for dexterous grasping, a large-scale, high-quality dataset is essential. While gradient-based optimization offers a promising way for constructing such datasets, previous works suffer from limitations, such as inefficiency, strong assumptions in the grasp quality energy, or limited object sets for experiments. Moreover, the lack of a standard benchmark for comparing different methods and datasets hinders progress in this field. To address these challenges, we develop a highly efficient synthesis system and a comprehensive benchmark with MuJoCo for dexterous grasping. We formulate grasp synthesis as a bilevel optimization problem, combining a novel lower-level quadratic programming (QP) with an upper-level gradient descent process. By leveraging recent advances in CUDA-accelerated robotic libraries and GPU-based QP solvers, our system can parallelize thousands of grasps and synthesize over 49 grasps per second on a single 3090 GPU. Our synthesized grasps for Shadow, Allegro, and Leap hands all achieve a success rate above 75% in simulation, with a penetration depth under 1 mm, outperforming existing baselines on nearly all metrics. Compared to the previous large-scale dataset, DexGraspNet, our dataset significantly improves the performance of learning models, with a success rate from around 40% to 80% in simulation. Real-world testing of the trained model on the Shadow Hand achieves an 81% success rate across 20 diverse objects. The codes and datasets are released on our project page: https://pku-epic.github.io/BODex.

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce HeurAgenix, a two-stage hyper-heuristic framework powered by large language models (LLMs) that first evolves heuristics and then selects among them automatically. In the heuristic evolution phase, HeurAgenix leverages an LLM to compare seed heuristic solutions with higher-quality solutions and extract reusable evolution strategies. During problem solving, it dynamically picks the most promising heuristic for each problem state, guided by the LLM's perception ability. For flexibility, this selector can be either a state-of-the-art LLM or a fine-tuned lightweight model with lower inference cost. To mitigate the scarcity of reliable supervision caused by CO complexity, we fine-tune the lightweight heuristic selector with a dual-reward mechanism that jointly exploits singals from selection preferences and state perception, enabling robust selection under noisy annotations. Extensive experiments on canonical benchmarks show that HeurAgenix not only outperforms existing LLM-based hyper-heuristics but also matches or exceeds specialized solvers. Code is available at https://github.com/microsoft/HeurAgenix.

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

In this article, we introduce a novel normalization technique for neural network weight matrices, which we term weight conditioning. This approach aims to narrow the gap between the smallest and largest singular values of the weight matrices, resulting in better-conditioned matrices. The inspiration for this technique partially derives from numerical linear algebra, where well-conditioned matrices are known to facilitate stronger convergence results for iterative solvers. We provide a theoretical foundation demonstrating that our normalization technique smoothens the loss landscape, thereby enhancing convergence of stochastic gradient descent algorithms. Empirically, we validate our normalization across various neural network architectures, including Convolutional Neural Networks (CNNs), Vision Transformers (ViT), Neural Radiance Fields (NeRF), and 3D shape modeling. Our findings indicate that our normalization method is not only competitive but also outperforms existing weight normalization techniques from the literature.

Large Language Models (LLMs) have demonstrated impressive progress in optimization modeling, fostering a rapid expansion of new methodologies and evaluation benchmarks. However, the boundaries of their capabilities in automated formulation and problem solving remain poorly understood, particularly when extending to complex, real-world tasks. To bridge this gap, we propose OPT-ENGINE, an extensible benchmark framework designed to evaluate LLMs on optimization modeling with controllable and scalable difficulty levels. OPT-ENGINE spans 10 canonical tasks across operations research, with five Linear Programming and five Mixed-Integer Programming. Utilizing OPT-ENGINE, we conduct an extensive study of LLMs' reasoning capabilities, addressing two critical questions: 1.) Do LLMs' performance remain robust when generalizing to out-of-distribution optimization tasks that scale in complexity beyond current benchmark levels? and 2.) At what stage, from problem interpretation to solution generation, do current LLMs encounter the most significant bottlenecks? Our empirical results yield two key insights: first, tool-integrated reasoning with external solvers exhibits significantly higher robustness as task complexity escalates, while pure-text reasoning reaches a ceiling; second, the automated formulation of constraints constitutes the primary performance bottleneck. These findings provide actionable guidance for developing next-generation LLMs for advanced optimization. Our code is publicly available at blue{https://github.com/Cardinal-Operations/OPTEngine}.

We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and varepsilon-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.

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

The recent advent of diffusion models has led to significant progress in solving inverse problems, leveraging these models as effective generative priors. Nonetheless, challenges related to the ill-posed nature of such problems remain, often due to inherent ambiguities in measurements. Drawing inspiration from the human ability to resolve visual ambiguities through perceptual biases, here we introduce a novel latent diffusion inverse solver by incorporating regularization by texts (TReg). Specifically, TReg applies the textual description of the preconception of the solution during the reverse sampling phase, of which description isndynamically reinforced through null-text optimization for adaptive negation. Our comprehensive experimental results demonstrate that TReg successfully mitigates ambiguity in latent diffusion inverse solvers, enhancing their effectiveness and accuracy.

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

Large Language Models (LLMs) have achieved human-level proficiency across diverse tasks, but their ability to perform rigorous mathematical problem solving remains an open challenge. In this work, we investigate a fundamental yet computationally intractable problem: determining whether a given multivariate polynomial is nonnegative. This problem, closely related to Hilbert's Seventeenth Problem, plays a crucial role in global polynomial optimization and has applications in various fields. First, we introduce SoS-1K, a meticulously curated dataset of approximately 1,000 polynomials, along with expert-designed reasoning instructions based on five progressively challenging criteria. Evaluating multiple state-of-the-art LLMs, we find that without structured guidance, all models perform only slightly above the random guess baseline 50%. However, high-quality reasoning instructions significantly improve accuracy, boosting performance up to 81%. Furthermore, our 7B model, SoS-7B, fine-tuned on SoS-1K for just 4 hours, outperforms the 671B DeepSeek-V3 and GPT-4o-mini in accuracy while only requiring 1.8% and 5% of the computation time needed for letters, respectively. Our findings highlight the potential of LLMs to push the boundaries of mathematical reasoning and tackle NP-hard problems.

Reasoning-oriented Large Language Models (LLMs) have achieved remarkable progress with Chain-of-Thought (CoT) prompting, yet they remain fundamentally limited by a blind self-thinking paradigm: performing extensive internal reasoning even when critical information is missing or ambiguous. We propose Proactive Interactive Reasoning (PIR), a new reasoning paradigm that transforms LLMs from passive solvers into proactive inquirers that interleave reasoning with clarification. Unlike existing search- or tool-based frameworks that primarily address knowledge uncertainty by querying external environments, PIR targets premise- and intent-level uncertainty through direct interaction with the user. PIR is implemented via two core components: (1) an uncertainty-aware supervised fine-tuning procedure that equips models with interactive reasoning capability, and (2) a user-simulator-based policy optimization framework driven by a composite reward that aligns model behavior with user intent. Extensive experiments on mathematical reasoning, code generation, and document editing demonstrate that PIR consistently outperforms strong baselines, achieving up to 32.70\% higher accuracy, 22.90\% higher pass rate, and 41.36 BLEU improvement, while reducing nearly half of the reasoning computation and unnecessary interaction turns. Further reliability evaluations on factual knowledge, question answering, and missing-premise scenarios confirm the strong generalization and robustness of PIR. Model and code are publicly available at: https://github.com/SUAT-AIRI/Proactive-Interactive-R1

Modern ML applications increasingly rely on complex deep learning models and large datasets. There has been an exponential growth in the amount of computation needed to train the largest models. Therefore, to scale computation and data, these models are inevitably trained in a distributed manner in clusters of nodes, and their updates are aggregated before being applied to the model. However, a distributed setup is prone to Byzantine failures of individual nodes, components, and software. With data augmentation added to these settings, there is a critical need for robust and efficient aggregation systems. We define the quality of workers as reconstruction ratios in (0,1], and formulate aggregation as a Maximum Likelihood Estimation procedure using Beta densities. We show that the Regularized form of log-likelihood wrt subspace can be approximately solved using iterative least squares solver, and provide convergence guarantees using recent Convex Optimization landscape results. Our empirical findings demonstrate that our approach significantly enhances the robustness of state-of-the-art Byzantine resilient aggregators. We evaluate our method in a distributed setup with a parameter server, and show simultaneous improvements in communication efficiency and accuracy across various tasks. The code is publicly available at https://github.com/hamidralmasi/FlagAggregator

While large language models (LLMs) have shown strong performance in math and logic reasoning, their ability to handle combinatorial optimization (CO) -- searching high-dimensional solution spaces under hard constraints -- remains underexplored. To bridge the gap, we introduce NLCO, a Natural Language Combinatorial Optimization benchmark that evaluates LLMs on end-to-end CO reasoning: given a language-described decision-making scenario, the model must output a discrete solution without writing code or calling external solvers. NLCO covers 43 CO problems and is organized using a four-layer taxonomy of variable types, constraint families, global patterns, and objective classes, enabling fine-grained evaluation. We provide solver-annotated solutions and comprehensively evaluate LLMs by feasibility, solution optimality, and reasoning efficiency. Experiments across a wide range of modern LLMs show that high-performing models achieve strong feasibility and solution quality on small instances, but both degrade as instance size grows, even if more tokens are used for reasoning. We also observe systematic effects across the taxonomy: set-based tasks are relatively easy, whereas graph-structured problems and bottleneck objectives lead to more frequent failures.

The loss landscapes of neural networks contain minima and saddle points that may be connected in flat regions or appear in isolation. We identify and characterize a special structure in the loss landscape: channels along which the loss decreases extremely slowly, while the output weights of at least two neurons, a_i and a_j, diverge to pminfinity, and their input weight vectors, w_i and w_j, become equal to each other. At convergence, the two neurons implement a gated linear unit: a_iσ(w_i cdot x) + a_jσ(w_j cdot x) rightarrow σ(w cdot x) + (v cdot x) σ'(w cdot x). Geometrically, these channels to infinity are asymptotically parallel to symmetry-induced lines of critical points. Gradient flow solvers, and related optimization methods like SGD or ADAM, reach the channels with high probability in diverse regression settings, but without careful inspection they look like flat local minima with finite parameter values. Our characterization provides a comprehensive picture of these quasi-flat regions in terms of gradient dynamics, geometry, and functional interpretation. The emergence of gated linear units at the end of the channels highlights a surprising aspect of the computational capabilities of fully connected layers.

Large pre-trained vision-language models such as CLIP provide compact and general-purpose representations of text and images that are demonstrably effective across multiple downstream zero-shot prediction tasks. However, owing to the nature of their training process, these models have the potential to 1) propagate or amplify societal biases in the training data and 2) learn to rely on spurious features. This paper proposes FairerCLIP, a general approach for making zero-shot predictions of CLIP more fair and robust to spurious correlations. We formulate the problem of jointly debiasing CLIP's image and text representations in reproducing kernel Hilbert spaces (RKHSs), which affords multiple benefits: 1) Flexibility: Unlike existing approaches, which are specialized to either learn with or without ground-truth labels, FairerCLIP is adaptable to learning in both scenarios. 2) Ease of Optimization: FairerCLIP lends itself to an iterative optimization involving closed-form solvers, which leads to 4times-10times faster training than the existing methods. 3) Sample Efficiency: Under sample-limited conditions, FairerCLIP significantly outperforms baselines when they fail entirely. And, 4) Performance: Empirically, FairerCLIP achieves appreciable accuracy gains on benchmark fairness and spurious correlation datasets over their respective baselines.

Training neural PDE solvers is often bottlenecked by expensive data generation or unstable physics-informed neural network (PINN) involving challenging optimization landscapes due to higher-order derivatives. To tackle this issue, we propose an alternative approach using Monte Carlo approaches to estimate the solution to the PDE as a stochastic process for weak supervision during training. Leveraging the Walk-on-Spheres method, we introduce a learning scheme called Walk-on-Spheres Neural Operator (WoS-NO) which uses weak supervision from WoS to train any given neural operator. We propose to amortize the cost of Monte Carlo walks across the distribution of PDE instances using stochastic representations from the WoS algorithm to generate cheap, noisy, estimates of the PDE solution during training. This is formulated into a data-free physics-informed objective where a neural operator is trained to regress against these weak supervisions, allowing the operator to learn a generalized solution map for an entire family of PDEs. This strategy does not require expensive pre-computed datasets, avoids computing higher-order derivatives for loss functions that are memory-intensive and unstable, and demonstrates zero-shot generalization to novel PDE parameters and domains. Experiments show that for the same number of training steps, our method exhibits up to 8.75times improvement in L_2-error compared to standard physics-informed training schemes, up to 6.31times improvement in training speed, and reductions of up to 2.97times in GPU memory consumption. We present the code at https://github.com/neuraloperator/WoS-NO

Diffusion models (DMs) excel in image generation, but suffer from slow inference and the training-inference discrepancies. Although gradient-based solvers like DPM-Solver accelerate the denoising inference, they lack theoretical foundations in information transmission efficiency. In this work, we introduce an information-theoretic perspective on the inference processes of DMs, revealing that successful denoising fundamentally reduces conditional entropy in reverse transitions. This principle leads to our key insights into the inference processes: (1) data prediction parameterization outperforms its noise counterpart, and (2) optimizing conditional variance offers a reference-free way to minimize both transition and reconstruction errors. Based on these insights, we propose an entropy-aware variance optimized method for the generative process of DMs, called EVODiff, which systematically reduces uncertainty by optimizing conditional entropy during denoising. Extensive experiments on DMs validate our insights and demonstrate that our method significantly and consistently outperforms state-of-the-art (SOTA) gradient-based solvers. For example, compared to the DPM-Solver++, EVODiff reduces the reconstruction error by up to 45.5\% (FID improves from 5.10 to 2.78) at 10 function evaluations (NFE) on CIFAR-10, cuts the NFE cost by 25\% (from 20 to 15 NFE) for high-quality samples on ImageNet-256, and improves text-to-image generation while reducing artifacts. Code is available at https://github.com/ShiguiLi/EVODiff.

Semidefinite programming is a fundamental problem class in convex optimization, but despite recent advances in solvers, solving large-scale semidefinite programs remains challenging. Generally the matrix functions involved are spectral or unitarily invariant, i.e., they depend only on the eigenvalues or singular values of the matrix. This paper investigates how spectral matrix cones -- cones defined from epigraphs and perspectives of spectral or unitarily invariant functions -- can be used to enhance first-order conic solvers for semidefinite programs. Our main result shows that projecting a matrix can be reduced to projecting its eigenvalues or singular values, which we demonstrate can be done at a negligible cost compared to the eigenvalue or singular value decomposition itself. We have integrated support for spectral matrix cone projections into the Splitting Conic Solver (SCS). Numerical experiments show that SCS with this enhancement can achieve speedups of up to an order of magnitude for solving semidefinite programs arising in experimental design, robust principal component analysis, and graph partitioning.

Although GRPO substantially enhances flow matching models in human preference alignment of image generation, methods such as FlowGRPO still exhibit inefficiency due to the necessity of sampling and optimizing over all denoising steps specified by the Markov Decision Process (MDP). In this paper, we propose MixGRPO, a novel framework that leverages the flexibility of mixed sampling strategies through the integration of stochastic differential equations (SDE) and ordinary differential equations (ODE). This streamlines the optimization process within the MDP to improve efficiency and boost performance. Specifically, MixGRPO introduces a sliding window mechanism, using SDE sampling and GRPO-guided optimization only within the window, while applying ODE sampling outside. This design confines sampling randomness to the time-steps within the window, thereby reducing the optimization overhead, and allowing for more focused gradient updates to accelerate convergence. Additionally, as time-steps beyond the sliding window are not involved in optimization, higher-order solvers are supported for sampling. So we present a faster variant, termed MixGRPO-Flash, which further improves training efficiency while achieving comparable performance. MixGRPO exhibits substantial gains across multiple dimensions of human preference alignment, outperforming DanceGRPO in both effectiveness and efficiency, with nearly 50% lower training time. Notably, MixGRPO-Flash further reduces training time by 71%. Codes and models are available at https://github.com/Tencent-Hunyuan/MixGRPO{MixGRPO}.

In the rapidly evolving landscape of digital twins (DT) and 6G networks, the integration of large language models (LLMs) presents a novel approach to network management. This paper explores the application of LLMs in managing 6G-empowered DT networks, with a focus on optimizing data retrieval and communication efficiency in smart city scenarios. The proposed framework leverages LLMs for intelligent DT problem analysis and radio resource management (RRM) in fully autonomous way without any manual intervention. Our proposed framework -- LINKs, builds up a lazy loading strategy which can minimize transmission delay by selectively retrieving the relevant data. Based on the data retrieval plan, LLMs transform the retrieval task into an numerical optimization problem and utilizing solvers to build an optimal RRM, ensuring efficient communication across the network. Simulation results demonstrate the performance improvements in data planning and network management, highlighting the potential of LLMs to enhance the integration of DT and 6G technologies.

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

GPU architectures have continued to grow in complexity, with recent incarnations introducing increasingly powerful fixed-function units for matrix multiplication and data movement to accompany highly parallel general-purpose cores. To fully leverage these machines, software must use sophisticated schedules that maximally utilize all hardware resources. Since realizing such schedules is complex, both programmers and compilers routinely employ program transformations, such as software pipelining (SWP) and warp specialization (WS), to do so in practice. However, determining how best to use SWP and WS in combination is a challenging problem that is currently handled through a mix of brittle compilation heuristics and fallible human intuition, with little insight into the space of solutions. To remedy this situation, we introduce a novel formulation of SWP and WS as a joint optimization problem that can be solved holistically by off-the-shelf constraint solvers. We reify our approach in Twill, the first system that automatically derives optimal SWP and WS schedules for a large class of iterative programs. Twill is heuristic-free, easily extensible to new GPU architectures, and guaranteed to produce optimal schedules. We show that Twill can rediscover, and thereby prove optimal, the SWP and WS schedules manually developed by experts for Flash Attention on both the NVIDIA Hopper and Blackwell GPU architectures.

There is growing interest in utilizing flow-based models as decision-making policies in reinforcement learning due to their high expressive capacity. However, effectively leveraging this expressivity for value maximization remains challenging, as naive gradient-based optimization requires backpropagating through numerical solvers and often leads to instability. Existing approaches typically address this issue by restricting the expressive capacity of flow-based policies, resulting in a trade-off between optimization stability and representational flexibility. To resolve this, we introduce Q-Flow, a framework that leverages the deterministic nature of flow dynamics to explicitly propagate terminal trajectory value to intermediate latent states along the policy-induced flow. This formulation enables stable policy optimization using intermediate value gradients without unrolling the numerical solver, effectively bridging the gap between stability and expressivity. We evaluate Q-Flow in the offline learning setting on the challenging OGBench suite, where it consistently outperforms state-of-the-art baselines by an average of 10.6 percentage points, while also enabling stable online adaptation within the same framework.

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each task. Most inverse tasks can be formulated as inferring a posterior distribution over data (e.g., a full image) given a measurement (e.g., a masked image). This is however challenging in diffusion models since the nonlinear and iterative nature of the diffusion process renders the posterior intractable. To cope with this challenge, we propose a variational approach that by design seeks to approximate the true posterior distribution. We show that our approach naturally leads to regularization by denoising diffusion process (RED-Diff) where denoisers at different timesteps concurrently impose different structural constraints over the image. To gauge the contribution of denoisers from different timesteps, we propose a weighting mechanism based on signal-to-noise-ratio (SNR). Our approach provides a new variational perspective for solving inverse problems with diffusion models, allowing us to formulate sampling as stochastic optimization, where one can simply apply off-the-shelf solvers with lightweight iterates. Our experiments for image restoration tasks such as inpainting and superresolution demonstrate the strengths of our method compared with state-of-the-art sampling-based diffusion models.

Inverse kinematics (IK) is a core operation in animation, robotics, and biomechanics: given Cartesian constraints, recover joint rotations under a known kinematic tree. In many real-time human avatar pipelines, the available signal per frame is a sparse set of tracked 3D joint positions, whereas animation systems require joint orientations to drive skinning. Recovering full orientations from positions is underconstrained, most notably because twist about bone axes is ambiguous, and classical IK solvers typically rely on iterative optimization that can be slow and sensitive to noisy inputs. We introduce IK-GAT, a lightweight graph-attention network that reconstructs full-body joint orientations from 3D joint positions in a single forward pass. The model performs message passing over the skeletal parent-child graph to exploit kinematic structure during rotation inference. To simplify learning, IK-GAT predicts rotations in a bone-aligned world-frame representation anchored to rest-pose bone frames. This parameterization makes the twist axis explicit and is exactly invertible to standard parent-relative local rotations given the kinematic tree and rest pose. The network uses a continuous 6D rotation representation and is trained with a geodesic loss on SO(3) together with an optional forward-kinematics consistency regularizer. IK-GAT produces animation-ready local rotations that can directly drive a rigged avatar or be converted to pose parameters of SMPL-like body models for real-time and online applications. With 374K parameters and over 650 FPS on CPU, IK-GAT outperforms VPoser-based per-frame iterative optimization without warm-start at significantly lower cost, and is robust to initial pose and input noise

We introduce a novel class of regularization functions, called Cauchy-Schwarz (CS) regularizers, which can be designed to induce a wide range of properties in solution vectors of optimization problems. To demonstrate the versatility of CS regularizers, we derive regularization functions that promote discrete-valued vectors, eigenvectors of a given matrix, and orthogonal matrices. The resulting CS regularizers are simple, differentiable, and can be free of spurious stationary points, making them suitable for gradient-based solvers and large-scale optimization problems. In addition, CS regularizers automatically adapt to the appropriate scale, which is, for example, beneficial when discretizing the weights of neural networks. To demonstrate the efficacy of CS regularizers, we provide results for solving underdetermined systems of linear equations and weight quantization in neural networks. Furthermore, we discuss specializations, variations, and generalizations, which lead to an even broader class of new and possibly more powerful regularizers.

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

We present TORAX, a new, open-source, differentiable tokamak core transport simulator implemented in Python using the JAX framework. TORAX solves the coupled equations for ion heat transport, electron heat transport, particle transport, and current diffusion, incorporating modular physics-based and ML models. JAX's just-in-time compilation ensures fast runtimes, while its automatic differentiation capability enables gradient-based optimization workflows and simplifies the use of Jacobian-based PDE solvers. Coupling to ML-surrogates of physics models is greatly facilitated by JAX's intrinsic support for neural network development and inference. TORAX is verified against the established RAPTOR code, demonstrating agreement in simulated plasma profiles. TORAX provides a powerful and versatile tool for accelerating research in tokamak scenario modeling, pulse design, and control.

The correctness of computations remains a significant challenge in computer science, with traditional approaches relying on automated testing or formal verification. Self-testing/correcting programs introduce an alternative paradigm, allowing a program to verify and correct its own outputs via randomized reductions, a concept that previously required manual derivation. In this paper, we present Bitween, a method and tool for automated learning of randomized (self)-reductions and program properties in numerical programs. Bitween combines symbolic analysis and machine learning, with a surprising finding: polynomial-time linear regression, a basic optimization method, is not only sufficient but also highly effective for deriving complex randomized self-reductions and program invariants, often outperforming sophisticated mixed-integer linear programming solvers. We establish a theoretical framework for learning these reductions and introduce RSR-Bench, a benchmark suite for evaluating Bitween's capabilities on scientific and machine learning functions. Our empirical results show that Bitween surpasses state-of-the-art tools in scalability, stability, and sample efficiency when evaluated on nonlinear invariant benchmarks like NLA-DigBench. Bitween is open-source as a Python package and accessible via a web interface that supports C language programs.

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.

We introduce the Discrete Min-Max Violation (DMMV) as a general optimization problem which seeks an assignment of discrete values to variables that minimizes the largest constraint violation. This context-free mathematical formulation is applicable to a wide range of use cases that have worst-case performance requirements. After defining the DMMV problem mathematically, we explore its properties to establish a foundational understanding. To tackle DMMV instance sizes of practical relevance, we develop a GPU-accelerated heuristic that takes advantage of the mathematical properties of DMMV for speeding up the solution process. We demonstrate the versatile applicability of our heuristic by solving three optimization problems as use cases: (1) post-training quantization of language models, (2) discrete tomography, and (3) Finite Impulse Response (FIR) filter design. In quantization without outlier separation, our heuristic achieves 14% improvement on average over existing methods. In discrete tomography, it reduces reconstruction error by 16% under uniform noise and accelerates computations by a factor of 6 on GPU. For FIR filter design, it nearly achieves 50% ripple reduction compared to using the commercial integer optimization solver, Gurobi. Our comparative results point to the benefits of studying DMMV as a context-free optimization problem and the advantages that our proposed heuristic offers on three distinct problems. Our GPU-accelerated heuristic will be made open-source to further stimulate research on DMMV and its other applications. The code is available at https://anonymous.4open.science/r/AMVM-5F3E/

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

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

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

Solving an NP-hard optimization problem often requires reformulating it for a specific solver -- quantum hardware, a commercial optimizer, or a domain heuristic. A tool for polynomial-time reductions between hard problems would let practitioners route any supported problem to any supported solver through a single interface. Building such a library at scale, however, has remained out of reach. We show that harness engineering, the practice of designing constraints, verification systems, and feedback loops that channel AI coding agents, can overcome this barrier. Our harness combines a no-code contribution route for domain experts, a multilayer verification stack ranging from type-level checks to agentic feature tests (AI agents role-playing as end users), and a fully automated implementation-review-integration pipeline. In about three months, we built a command-line tool backed by a library of 100+ problem types and 200+~reduction rules in over 170k lines of Rust. The result suggests that a well-engineered harness lets agents build well-tested software at a scale and pace beyond prior reduction-library efforts. Because the reduction graph composes transitively, a new solver registered for any single problem type instantly becomes available to every problem connected by a reduction path. The source code is available at https://github.com/CodingThrust/problem-reductions.

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the time-dependent variational principle, our approach utilizes the implicit mid-point method and generates the solution for all spatial and temporal values simultaneously after optimization. We demonstrate the method in the Schr\"{o}dinger equation with a self-normalized autoregressive spacetime neural network construction. Future explorations for solving different high dimensional differential equations are discussed.

Demonstrating the practical utility of Noisy Intermediate-Scale Quantum (NISQ) hardware for recurrent tasks in Computer-Aided Drug Discovery is of paramount importance. We tackle this challenge by performing three-dimensional protein pockets hydration-site prediction on a quantum computer. Formulating the water placement problem as a Quadratic Unconstrained Binary Optimization (QUBO), we use a hybrid approach coupling a classical three-dimensional reference-interaction site model (3D-RISM) to an efficient quantum optimization solver, to run various hardware experiments up to 123 qubits. Matching the precision of classical approaches, our results reproduced experimental predictions on real-life protein-ligand complexes. Furthermore, through a detailed resource estimation analysis, we show that accuracy can be systematically improved with increasing number of qubits, indicating that full quantum utility is in reach. Finally, we provide evidence that advantageous situations could be found for systems where classical optimization struggles to provide optimal solutions. The method has potential for assisting simulations of protein-ligand complexes for drug lead optimization and setup of docking calculations.

Subspace clustering seeks to identify subspaces that segment a set of n data points into k (k<<n) groups, which has emerged as a powerful tool for analyzing data from various domains, especially images and videos. Recently, several studies have demonstrated the great potential of subspace clustering models for partitioning vertices in attributed graphs, referred to as SCAG. However, these works either demand significant computational overhead for constructing the nxn self-expressive matrix, or fail to incorporate graph topology and attribute data into the subspace clustering framework effectively, and thus, compromise result quality. Motivated by this, this paper presents two effective and efficient algorithms, S2CAG and M-S2CAG, for SCAG computation. Particularly, S2CAG obtains superb performance through three major contributions. First, we formulate a new objective function for SCAG with a refined representation model for vertices and two non-trivial constraints. On top of that, an efficient linear-time optimization solver is developed based on our theoretically grounded problem transformation and well-thought-out adaptive strategy. We then conduct an in-depth analysis to disclose the theoretical connection of S2CAG to conductance minimization, which further inspires the design of M-S2CAG that maximizes the modularity. Our extensive experiments, comparing S2CAG and M-S2CAG against 17 competitors over 8 benchmark datasets, exhibit that our solutions outperform all baselines in terms of clustering quality measured against the ground truth while delivering high efficiency

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.

This paper explores the problem of collision-free motion generation for manipulators by formulating it as a global motion optimization problem. We develop a parallel optimization technique to solve this problem and demonstrate its effectiveness on massively parallel GPUs. We show that combining simple optimization techniques with many parallel seeds leads to solving difficult motion generation problems within 50ms on average, 60x faster than state-of-the-art (SOTA) trajectory optimization methods. We achieve SOTA performance by combining L-BFGS step direction estimation with a novel parallel noisy line search scheme and a particle-based optimization solver. To further aid trajectory optimization, we develop a parallel geometric planner that plans within 20ms and also introduce a collision-free IK solver that can solve over 7000 queries/s. We package our contributions into a state of the art GPU accelerated motion generation library, cuRobo and release it to enrich the robotics community. Additional details are available at https://curobo.org

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

Multi-modal multi-party conversation (MMC) is a less studied yet important topic of research due to that it well fits real-world scenarios and thus potentially has more widely-used applications. Compared with the traditional multi-modal conversations, MMC requires stronger character-centered understanding abilities as there are many interlocutors appearing in both the visual and textual context. To facilitate the study of this problem, we present Friends-MMC in this paper, an MMC dataset that contains 24,000+ unique utterances paired with video context. To explore the character-centered understanding of the dialogue, we also annotate the speaker of each utterance, the names and bounding bboxes of faces that appear in the video. Based on this Friends-MMC dataset, we further study two fundamental MMC tasks: conversation speaker identification and conversation response prediction, both of which have the multi-party nature with the video or image as visual context. For conversation speaker identification, we demonstrate the inefficiencies of existing methods such as pre-trained models, and propose a simple yet effective baseline method that leverages an optimization solver to utilize the context of two modalities to achieve better performance. For conversation response prediction, we fine-tune generative dialogue models on Friend-MMC, and analyze the benefits of speaker information. The code and dataset is publicly available at https://github.com/yellow-binary-tree/Friends-MMC and thus we call for more attention on modeling speaker information when understanding conversations.

Imitation learning is a well-established approach for machine-learning-based control. However, its applicability depends on having access to demonstrations, which are often expensive to collect and/or suboptimal for solving the task. In this work, we present GCImOpt, an approach to learn efficient goal-conditioned policies by training on datasets generated by trajectory optimization. Our approach for dataset generation is computationally efficient, can generate thousands of optimal trajectories in minutes on a laptop computer, and produces high-quality demonstrations. Further, by means of a data augmentation scheme that treats intermediate states as goals, we are able to increase the training dataset size by an order of magnitude. Using our generated datasets, we train goal-conditioned neural network policies that can control the system towards arbitrary goals. To demonstrate the generality of our approach, we generate datasets and then train policies for various control tasks, namely cart-pole stabilization, planar and three-dimensional quadcopter stabilization, and point reaching using a 6-DoF robot arm. We show that our trained policies can achieve high success rates and near-optimal control profiles, all while being small (less than 80,000 neural network parameters) and fast enough (up to more than 6,000 times faster than a trajectory optimization solver) that they could be deployed onboard resource-constrained controllers. We provide videos, code, datasets and pre-trained policies under a free software license; see our project website https://jongoiko.github.io/gcimopt/.

We consider the problem of generating a large collection of initial guesses for local minima of multimodal non-convex continuous optimization problems. The goal is for these initial guesses to be high-quality (i.e., a numerical solver converges quickly) and diverse (i.e., represent many different local minima). Identifying multiple locally optimal solutions enables flexible downstream decision-making, but typically requires expensive global search. Existing data-driven methods predict initial guesses using only the final converged optima from offline solver runs, which discards information about the local neighborhoods of solutions and limits the available training data. We propose GLENS (Global Search via Learning from Solver Iterates), a data-efficient global search method that leverages intermediate solver iterates as free data augmentation. GLENS consists of two components: a neighborhood structure model that uses diffusion models to learn the local geometry around optima conditioned on problem parameters, and a solver behavior model that learns refinement directions to further guide samples towards nearby optima during diffusion sampling. Experiments on modified non-convex benchmark problems and a two-robot obstacle-avoidance navigation problem show that GLENS generates high-quality initial guesses while preserving the multimodal distribution of diverse local optima. The resulting initial guesses lead to faster solver convergence across different problem settings and solvers. We also analyze how key hyperparameter choices affect the performance.

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

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

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.

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.

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.

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.

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

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

The Homotopy paradigm, a general principle for solving challenging problems, appears across diverse domains such as robust optimization, global optimization, polynomial root-finding, and sampling. Practical solvers for these problems typically follow a predictor-corrector (PC) structure, but rely on hand-crafted heuristics for step sizes and iteration termination, which are often suboptimal and task-specific. To address this, we unify these problems under a single framework, which enables the design of a general neural solver. Building on this unified view, we propose Neural Predictor-Corrector (NPC), which replaces hand-crafted heuristics with automatically learned policies. NPC formulates policy selection as a sequential decision-making problem and leverages reinforcement learning to automatically discover efficient strategies. To further enhance generalization, we introduce an amortized training mechanism, enabling one-time offline training for a class of problems and efficient online inference on new instances. Experiments on four representative homotopy problems demonstrate that our method generalizes effectively to unseen instances. It consistently outperforms classical and specialized baselines in efficiency while demonstrating superior stability across tasks, highlighting the value of unifying homotopy methods into a single neural framework.

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.

Multimodal Large Language Models (MLLMs) have significantly advanced vision-language understanding. However, even state-of-the-art models struggle with geometric reasoning, revealing a critical bottleneck: the extreme scarcity of high-quality image-text pairs. Human annotation is prohibitively expensive, while automated methods fail to ensure fidelity and training effectiveness. Existing approaches either passively adapt to available images or employ inefficient random exploration with filtering, decoupling generation from learning needs. We propose Socratic-Geo, a fully autonomous framework that dynamically couples data synthesis with model learning through multi-agent interaction. The Teacher agent generates parameterized Python scripts with reflective feedback (Reflect for solvability, RePI for visual validity), ensuring image-text pair purity. The Solver agent optimizes reasoning through preference learning, with failure paths guiding Teacher's targeted augmentation. Independently, the Generator learns image generation capabilities on accumulated "image-code-instruction" triplets, distilling programmatic drawing intelligence into visual generation. Starting from only 108 seed problems, Socratic-Solver achieves 49.11 on six benchmarks using one-quarter of baseline data, surpassing strong baselines by 2.43 points. Socratic-Generator achieves 42.4% on GenExam, establishing new state-of-the-art for open-source models, surpassing Seedream-4.0 (39.8%) and approaching Gemini-2.5-Flash-Image (43.1%).

Diffusion models have demonstrated remarkable generation quality but at the cost of numerous function evaluations. Recently, advanced ODE-based solvers have been developed to mitigate the substantial computational demands of reverse-diffusion solving under limited sampling steps. However, these solvers, heavily inspired by Adams-like multistep methods, rely solely on t-related Lagrange interpolation. We show that t-related Lagrange interpolation is suboptimal for diffusion model and reveal a compact search space comprised of time steps and solver coefficients. Building on our analysis, we propose a novel differentiable solver search algorithm to identify more optimal solver. Equipped with the searched solver, rectified-flow models, e.g., SiT-XL/2 and FlowDCN-XL/2, achieve FID scores of 2.40 and 2.35, respectively, on ImageNet256 with only 10 steps. Meanwhile, DDPM model, DiT-XL/2, reaches a FID score of 2.33 with only 10 steps. Notably, our searched solver outperforms traditional solvers by a significant margin. Moreover, our searched solver demonstrates generality across various model architectures, resolutions, and model sizes.

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

The problem of designing NLP solvers for math word problems (MWP) has seen sustained research activity and steady gains in the test accuracy. Since existing solvers achieve high performance on the benchmark datasets for elementary level MWPs containing one-unknown arithmetic word problems, such problems are often considered "solved" with the bulk of research attention moving to more complex MWPs. In this paper, we restrict our attention to English MWPs taught in grades four and lower. We provide strong evidence that the existing MWP solvers rely on shallow heuristics to achieve high performance on the benchmark datasets. To this end, we show that MWP solvers that do not have access to the question asked in the MWP can still solve a large fraction of MWPs. Similarly, models that treat MWPs as bag-of-words can also achieve surprisingly high accuracy. Further, we introduce a challenge dataset, SVAMP, created by applying carefully chosen variations over examples sampled from existing datasets. The best accuracy achieved by state-of-the-art models is substantially lower on SVAMP, thus showing that much remains to be done even for the simplest of the MWPs.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

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.

Optimization modeling enables critical decisions across industries but remains difficult to automate: informal language must be mapped to precise mathematical formulations and executable solver code. Prior LLM approaches either rely on brittle prompting or costly retraining with limited generalization. We present AlphaOPT, a self-improving experience library that enables an LLM to learn from limited demonstrations (even answers alone, without gold-standard programs) and solver feedback - without annotated reasoning traces or parameter updates. AlphaOPT operates in a continual two-phase cycle: (i) a Library Learning phase that reflects on failed attempts, extracting solver-verified, structured insights as {taxonomy, condition, explanation, example}; and (ii) a Library Evolution phase that diagnoses retrieval misalignments and refines the applicability conditions of stored insights, improving transfer across tasks. This design (1) learns efficiently from limited demonstrations without curated rationales, (2) expands continually without costly retraining by updating the library rather than model weights, and (3) makes knowledge explicit and interpretable for human inspection and intervention. Experiments show that AlphaOPT steadily improves with more data (65% to 72% from 100 to 300 training items) and surpasses the strongest baseline by 7.7% on the out-of-distribution OptiBench dataset when trained only on answers. Code and data are available at: https://github.com/Minw913/AlphaOPT.

There have been recent efforts for incorporating Graph Neural Network models for learning full-stack solvers for constraint satisfaction problems (CSP) and particularly Boolean satisfiability (SAT). Despite the unique representational power of these neural embedding models, it is not clear how the search strategy in the learned models actually works. On the other hand, by fixing the search strategy (e.g. greedy search), we would effectively deprive the neural models of learning better strategies than those given. In this paper, we propose a generic neural framework for learning CSP solvers that can be described in terms of probabilistic inference and yet learn search strategies beyond greedy search. Our framework is based on the idea of propagation, decimation and prediction (and hence the name PDP) in graphical models, and can be trained directly toward solving CSP in a fully unsupervised manner via energy minimization, as shown in the paper. Our experimental results demonstrate the effectiveness of our framework for SAT solving compared to both neural and the state-of-the-art baselines.

Efficient numerical solvers for partial differential equations empower science and engineering. One of the commonly employed numerical solvers is the preconditioned conjugate gradient (PCG) algorithm which can solve large systems to a given precision level. One challenge in PCG solvers is the selection of preconditioners, as different problem-dependent systems can benefit from different preconditioners. We present a new method to introduce inductive bias in preconditioning conjugate gradient algorithm. Given a system matrix and a set of solution vectors arise from an underlying distribution, we train a graph neural network to obtain an approximate decomposition to the system matrix to be used as a preconditioner in the context of PCG solvers. We conduct extensive experiments to demonstrate the efficacy and generalizability of our proposed approach in solving various 2D and 3D linear second-order PDEs.

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of computationally demanding solvers. Recently, deep learning algorithms have emerged as a viable alternative for obtaining fast solutions for PDEs. Models are usually trained on synthetic data generated by solvers, stored on disk and read back for training. This paper advocates that relying on a traditional static dataset to train these models does not allow the full benefit of the solver to be used as a data generator. It proposes an open source online training framework for deep surrogate models. The framework implements several levels of parallelism focused on simultaneously generating numerical simulations and training deep neural networks. This approach suppresses the I/O and storage bottleneck associated with disk-loaded datasets, and opens the way to training on significantly larger datasets. Experiments compare the offline and online training of four surrogate models, including state-of-the-art architectures. Results indicate that exposing deep surrogate models to more dataset diversity, up to hundreds of GB, can increase model generalization capabilities. Fully connected neural networks, Fourier Neural Operator (FNO), and Message Passing PDE Solver prediction accuracy is improved by 68%, 16% and 7%, respectively.

Constraint programming is known for being an efficient approach for solving combinatorial problems. Important design choices in a solver are the branching heuristics, which are designed to lead the search to the best solutions in a minimum amount of time. However, developing these heuristics is a time-consuming process that requires problem-specific expertise. This observation has motivated many efforts to use machine learning to automatically learn efficient heuristics without expert intervention. To the best of our knowledge, it is still an open research question. Although several generic variable-selection heuristics are available in the literature, the options for a generic value-selection heuristic are more scarce. In this paper, we propose to tackle this issue by introducing a generic learning procedure that can be used to obtain a value-selection heuristic inside a constraint programming solver. This has been achieved thanks to the combination of a deep Q-learning algorithm, a tailored reward signal, and a heterogeneous graph neural network architecture. Experiments on graph coloring, maximum independent set, and maximum cut problems show that our framework is able to find better solutions close to optimality without requiring a large amounts of backtracks while being generic.

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

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

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

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

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach extends to parametric PDEs. Specifically, we integrate the physical loss gradient with PDE parameters, allowing our method to solve over a distribution of PDE parameters, including coefficients, initial conditions, and boundary conditions. We demonstrate the effectiveness of our approach through empirical experiments on multiple datasets, comparing both training and test-time optimization performance. The code is available at https://github.com/2ailesB/neural-parametric-solver.

In this paper, we present NEMO, a system that translates Natural-language descriptions of decision problems into formal Executable Mathematical Optimization implementations, operating collaboratively with users or autonomously. Existing approaches typically rely on specialized large language models (LLMs) or bespoke, task-specific agents. Such methods are often brittle, complex and frequently generating syntactically invalid or non-executable code. NEMO instead centers on remote interaction with autonomous coding agents (ACAs), treated as a first-class abstraction analogous to API-based interaction with LLMs. This design enables the construction of higher-level systems around ACAs that structure, consolidate, and iteratively refine task specifications. Because ACAs execute within sandboxed environments, code produced by NEMO is executable by construction, allowing automated validation and repair. Building on this, we introduce novel coordination patterns with and across ACAs, including asymmetric validation loops between independently generated optimizer and simulator implementations (serving as a high-level validation mechanism), external memory for experience reuse, and robustness enhancements via minimum Bayes risk (MBR) decoding and self-consistency. We evaluate NEMO on nine established optimization benchmarks. As depicted in Figure 1, it achieves state-of-the-art performance on the majority of tasks, with substantial margins on several datasets, demonstrating the power of execution-aware agentic architectures for automated optimization modeling.

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.

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

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.

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

Mixed-integer programming (MIP) is a powerful paradigm for modeling and solving various important combinatorial optimization problems. Recently, learning-based approaches have shown a potential to speed up MIP solving via offline training that then guides important design decisions during the search. However, a significant drawback of these methods is their heavy reliance on offline training, which requires collecting training datasets and computationally costly training epochs yet offering only limited generalization to unseen (larger) instances. In this paper, we propose Balans, an adaptive meta-solver for MIPs with online learning capability that does not require any supervision or apriori training. At its core, Balans is based on adaptive large-neighborhood search, operating on top of an MIP solver by successive applications of destroy and repair neighborhood operators. During the search, the selection among different neighborhood definitions is guided on the fly for the instance at hand via multi-armed bandit algorithms. Our extensive experiments on hard optimization instances show that Balans offers significant performance gains over the default MIP solver, is better than committing to any single best neighborhood, and improves over the state-of-the-art large-neighborhood search for MIPs. Finally, we release Balans as a highly configurable, MIP solver agnostic, open-source software.

We present a genetic algorithm framework for automatically discovering deep learning optimization algorithms. Our approach encodes optimizers as genomes that specify combinations of primitive update terms (gradient, momentum, RMS normalization, Adam-style adaptive terms, and sign-based updates) along with hyperparameters and scheduling options. Through evolutionary search over 50 generations with a population of 50 individuals, evaluated across multiple vision tasks, we discover an evolved optimizer that outperforms Adam by 2.6% in aggregate fitness and achieves a 7.7% relative improvement on CIFAR-10. The evolved optimizer combines sign-based gradient terms with adaptive moment estimation, uses lower momentum coefficients than Adam (β_1=0.86, β_2=0.94), and notably disables bias correction while enabling learning rate warmup and cosine decay. Our results demonstrate that evolutionary search can discover competitive optimization algorithms and reveal design principles that differ from hand-crafted optimizers. Code is available at https://github.com/mmarfinetz/evo-optimizer.

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.

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

There is growing interest in leveraging large language models (LLMs) for text-to-model translation and optimization tasks. This paper aims to advance this line of research by introducing Text2Model and Text2Zinc. Text2Model is a suite of copilots based on several LLM strategies with varying complexity, along with an online leaderboard. Text2Zinc is a cross-domain dataset for capturing optimization and satisfaction problems specified in natural language, along with an interactive editor with built-in AI assistant. While there is an emerging literature on using LLMs for translating combinatorial problems into formal models, our work is the first attempt to integrate both satisfaction and optimization problems within a unified architecture and dataset. Moreover, our approach is solver-agnostic unlike existing work that focuses on translation to a solver-specific model. To achieve this, we leverage MiniZinc's solver-and-paradigm-agnostic modeling capabilities to formulate combinatorial problems. We conduct comprehensive experiments to compare execution and solution accuracy across several single- and multi-call strategies, including; zero-shot prompting, chain-of-thought reasoning, intermediate representations via knowledge-graphs, grammar-based syntax encoding, and agentic approaches that decompose the model into sequential sub-tasks. Our copilot strategies are competitive, and in parts improve, recent research in this domain. Our findings indicate that while LLMs are promising they are not yet a push-button technology for combinatorial modeling. We contribute Text2Model copilots and leaderboard, and Text2Zinc and interactive editor to open-source to support closing this performance gap.

This note describes the development of an exact solver for Minimal Directed Feedback Vertex Set as part of the PACE 2022 competition. The solver is powered largely by aggressively trying to reduce the DFVS problem to a Minimal Cover problem, and applying reduction rules adapted from Vertex Cover literature. The resulting problem is solved as an Integer Linear Program (ILP) using SCIP. The resulting solver performed the second-best in the competition, although a bug at submission time disqualified it. As an additional note, we describe a new vertex cover reduction generalizing the Desk reduction rule.

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

Optimization underpins decision-making in domains from healthcare to logistics, yet for many practitioners it remains a "magical box": powerful but opaque, difficult to use, and reliant on specialized expertise. While prior work has extensively studied machine learning workflows, the everyday practices of optimization model developers (OMDs) have received little attention. We conducted semi-structured interviews with 15 OMDs across diverse domains to examine how optimization is done in practice. Our findings reveal a highly iterative workflow spanning six stages: problem elicitation, data processing, model development, implementation, validation, and deployment. Importantly, we find that optimization practice is not only about algorithms that deliver better decisions, but is equally shaped by data and dialogue - the ongoing communication with stakeholders that enables problem framing, trust, and adoption. We discuss opportunities for future tooling that foregrounds data and dialogue alongside decision-making, opening new directions for human-centered optimization.

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

Model-predictive control (MPC) is a powerful framework for controlling dynamic systems under constraints, but it remains challenging to deploy on resource-constrained platforms, especially for problems involving conic constraints. To address this, we extend recent work developing fast, structure-exploiting, cached ADMM solvers for embedded applications, to provide support for second-order cones, as well as C++ code generation from Python, MATLAB, and Julia for easy deployment. Microcontroller benchmarks show that our solver provides up to a two-order-of-magnitude speedup, ranging from 10.6x to 142.7x, over state-of-the-art embedded solvers on QP and SOCP problems, and enables us to fit order-of-magnitude larger problems in memory. We validate our solver's deployed performance through simulation and hardware experiments, including conically-constrained trajectory tracking on a 27g Crazyflie quadrotor. To get started with Conic-TinyMPC, visit our documentation, examples, and the open-source codebase at https://tinympc.org.

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.

Restart strategies are an important factor in the performance of conflict-driven Davis Putnam style SAT solvers. Selecting a good restart strategy for a problem instance can enhance the performance of a solver. Inspired by recent success applying machine learning techniques to predict the runtime of SAT solvers, we present a method which uses machine learning to boost solver performance through a smart selection of the restart strategy. Based on easy to compute features, we train both a satisfiability classifier and runtime models. We use these models to choose between restart strategies. We present experimental results comparing this technique with the most commonly used restart strategies. Our results demonstrate that machine learning is effective in improving solver performance.