Daily Papers

This paper introduces ClearerVoice-Studio, an open-source, AI-powered speech processing toolkit designed to bridge cutting-edge research and practical application. Unlike broad platforms like SpeechBrain and ESPnet, ClearerVoice-Studio focuses on interconnected speech tasks of speech enhancement, separation, super-resolution, and multimodal target speaker extraction. A key advantage is its state-of-the-art pretrained models, including FRCRN with 3 million uses and MossFormer with 2.5 million uses, optimized for real-world scenarios. It also offers model optimization tools, multi-format audio support, the SpeechScore evaluation toolkit, and user-friendly interfaces, catering to researchers, developers, and end-users. Its rapid adoption attracting 3000 GitHub stars and 239 forks highlights its academic and industrial impact. This paper details ClearerVoice-Studio's capabilities, architectures, training strategies, benchmarks, community impact, and future plan. Source code is available at https://github.com/modelscope/ClearerVoice-Studio.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

Levin Tree Search (LTS) is a search algorithm that makes use of a policy (a probability distribution over actions) and comes with a theoretical guarantee on the number of expansions before reaching a goal node, depending on the quality of the policy. This guarantee can be used as a loss function, which we call the LTS loss, to optimize neural networks representing the policy (LTS+NN). In this work we show that the neural network can be substituted with parameterized context models originating from the online compression literature (LTS+CM). We show that the LTS loss is convex under this new model, which allows for using standard convex optimization tools, and obtain convergence guarantees to the optimal parameters in an online setting for a given set of solution trajectories -- guarantees that cannot be provided for neural networks. The new LTS+CM algorithm compares favorably against LTS+NN on several benchmarks: Sokoban (Boxoban), The Witness, and the 24-Sliding Tile puzzle (STP). The difference is particularly large on STP, where LTS+NN fails to solve most of the test instances while LTS+CM solves each test instance in a fraction of a second. Furthermore, we show that LTS+CM is able to learn a policy that solves the Rubik's cube in only a few hundred expansions, which considerably improves upon previous machine learning techniques.

We introduce FinTral, a suite of state-of-the-art multimodal large language models (LLMs) built upon the Mistral-7b model and tailored for financial analysis. FinTral integrates textual, numerical, tabular, and image data. We enhance FinTral with domain-specific pretraining, instruction fine-tuning, and RLAIF training by exploiting a large collection of textual and visual datasets we curate for this work. We also introduce an extensive benchmark featuring nine tasks and 25 datasets for evaluation, including hallucinations in the financial domain. Our FinTral model trained with direct preference optimization employing advanced Tools and Retrieval methods, dubbed FinTral-DPO-T&R, demonstrates an exceptional zero-shot performance. It outperforms ChatGPT-3.5 in all tasks and surpasses GPT-4 in five out of nine tasks, marking a significant advancement in AI-driven financial technology. We also demonstrate that FinTral has the potential to excel in real-time analysis and decision-making in diverse financial contexts.

This paper aims to efficiently enable Large Language Models (LLMs) to use multimodal tools. Advanced proprietary LLMs, such as ChatGPT and GPT-4, have shown great potential for tool usage through sophisticated prompt engineering. Nevertheless, these models typically rely on prohibitive computational costs and publicly inaccessible data. To address these challenges, we propose the GPT4Tools based on self-instruct to enable open-source LLMs, such as LLaMA and OPT, to use tools. It generates an instruction-following dataset by prompting an advanced teacher with various multi-modal contexts. By using the Low-Rank Adaptation (LoRA) optimization, our approach facilitates the open-source LLMs to solve a range of visual problems, including visual comprehension and image generation. Moreover, we provide a benchmark to evaluate the ability of LLMs to use tools, which is performed in both zero-shot and fine-tuning ways. Extensive experiments demonstrate the effectiveness of our method on various language models, which not only significantly improves the accuracy of invoking seen tools, but also enables the zero-shot capacity for unseen tools. The code and demo are available at https://github.com/StevenGrove/GPT4Tools.

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

With the advancements in denoising diffusion probabilistic models (DDPMs), image inpainting has significantly evolved from merely filling information based on nearby regions to generating content conditioned on various prompts such as text, exemplar images, and sketches. However, existing methods, such as model fine-tuning and simple concatenation of latent vectors, often result in generation failures due to overfitting and inconsistency between the inpainted region and the background. In this paper, we argue that the current large diffusion models are sufficiently powerful to generate realistic images without further tuning. Hence, we introduce PILOT (inPainting vIa Latent OpTimization), an optimization approach grounded on a novel semantic centralization and background preservation loss. Our method searches latent spaces capable of generating inpainted regions that exhibit high fidelity to user-provided prompts while maintaining coherence with the background. Furthermore, we propose a strategy to balance optimization expense and image quality, significantly enhancing generation efficiency. Our method seamlessly integrates with any pre-trained model, including ControlNet and DreamBooth, making it suitable for deployment in multi-modal editing tools. Our qualitative and quantitative evaluations demonstrate that PILOT outperforms existing approaches by generating more coherent, diverse, and faithful inpainted regions in response to provided prompts.

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

Edge Computing (EC) has gained significant traction in recent years, promising enhanced efficiency by integrating Artificial Intelligence (AI) capabilities at the edge. While the focus has primarily been on the deployment and inference of Machine Learning (ML) models at the edge, the training aspect remains less explored. This survey delves into Edge Learning (EL), specifically the optimization of ML model training at the edge. The objective is to comprehensively explore diverse approaches and methodologies in EL, synthesize existing knowledge, identify challenges, and highlight future trends. Utilizing Scopus' advanced search, relevant literature on EL was identified, revealing a concentration of research efforts in distributed learning methods, particularly Federated Learning (FL). This survey further provides a guideline for comparing techniques used to optimize ML for edge learning, along with an exploration of different frameworks, libraries, and simulation tools available for EL. In doing so, the paper contributes to a holistic understanding of the current landscape and future directions in the intersection of edge computing and machine learning, paving the way for informed comparisons between optimization methods and techniques designed for edge learning.

Large Language Models (LLMs) are improving at an exceptional rate. With the advent of agentic workflows, multi-turn dialogue has become the de facto mode of interaction with LLMs for completing long and complex tasks. While LLM capabilities continue to improve, they remain increasingly susceptible to jailbreaking, especially in multi-turn scenarios where harmful intent can be subtly injected across the conversation to produce nefarious outcomes. While single-turn attacks have been extensively explored, adaptability, efficiency and effectiveness continue to remain key challenges for their multi-turn counterparts. To address these gaps, we present PLAGUE, a novel plug-and-play framework for designing multi-turn attacks inspired by lifelong-learning agents. PLAGUE dissects the lifetime of a multi-turn attack into three carefully designed phases (Primer, Planner and Finisher) that enable a systematic and information-rich exploration of the multi-turn attack family. Evaluations show that red-teaming agents designed using PLAGUE achieve state-of-the-art jailbreaking results, improving attack success rates (ASR) by more than 30% across leading models in a lesser or comparable query budget. Particularly, PLAGUE enables an ASR (based on StrongReject) of 81.4% on OpenAI's o3 and 67.3% on Claude's Opus 4.1, two models that are considered highly resistant to jailbreaks in safety literature. Our work offers tools and insights to understand the importance of plan initialization, context optimization and lifelong learning in crafting multi-turn attacks for a comprehensive model vulnerability evaluation.

Large language models (LLMs) are powerful but static; they lack mechanisms to adapt their weights in response to new tasks, knowledge, or examples. We introduce Self-Adapting LLMs (SEAL), a framework that enables LLMs to self-adapt by generating their own finetuning data and update directives. Given a new input, the model produces a self-edit-a generation that may restructure the information in different ways, specify optimization hyperparameters, or invoke tools for data augmentation and gradient-based updates. Through supervised finetuning (SFT), these self-edits result in persistent weight updates, enabling lasting adaptation. To train the model to produce effective self-edits, we use a reinforcement learning loop with the downstream performance of the updated model as the reward signal. Unlike prior approaches that rely on separate adaptation modules or auxiliary networks, SEAL directly uses the model's own generation to control its adaptation process. Experiments on knowledge incorporation and few-shot generalization show that SEAL is a promising step toward language models capable of self-directed adaptation. Our website and code is available at https://jyopari.github.io/posts/seal.

We study why Tool-Integrated Reasoning (TIR) makes Large Language Models (LLMs) more capable. While LLMs integrated with tools like Python code interpreters show great promise, a principled theory explaining why this paradigm is effective has been missing. This work provides the first formal proof that TIR fundamentally expands an LLM's capabilities. We demonstrate that tools enable a strict expansion of the model's empirical and feasible support, breaking the capability ceiling of pure-text models by unlocking problem-solving strategies that are otherwise impossible or intractably verbose. To guide model behavior without compromising training stability and performance, we also introduce Advantage Shaping Policy Optimization (ASPO), a novel algorithm that directly modifies the advantage function to guide the policy behavior. We conduct comprehensive experiments on challenging mathematical benchmarks, leveraging a Python interpreter as the external tool. Our results show that the TIR model decisively outperforms its pure-text counterpart on the pass@k metric. Crucially, this advantage is not confined to computationally-intensive problems but extends to those requiring significant abstract insight. We further identify the emergent cognitive patterns that illustrate how models learn to think with tools. Finally, we report improved tool usage behavior with early code invocation and much more interactive turns with ASPO. Overall, our work provides the first principled explanation for TIR's success, shifting the focus from the mere fact that tools work to why and how they enable more powerful reasoning.

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%.

With the bomb ignited by ChatGPT, Transformer-based Large Language Models (LLMs) have paved a revolutionary path toward Artificial General Intelligence (AGI) and have been applied in diverse areas as knowledge bases, human interfaces, and dynamic agents. However, a prevailing limitation exists: many current LLMs, constrained by resources, are primarily pre-trained on shorter texts, rendering them less effective for longer-context prompts, commonly encountered in real-world settings. In this paper, we present a comprehensive survey focusing on the advancement of model architecture in Transformer-based LLMs to optimize long-context capabilities across all stages from pre-training to inference. We firstly delineate and analyze the problems of handling long-context input and output with the current Transformer-based models. Then, we mainly offer a holistic taxonomy to navigate the landscape of Transformer upgrades on architecture to solve these problems. Afterward, we provide the investigation on wildly used evaluation necessities tailored for long-context LLMs, including datasets, metrics, and baseline models, as well as some amazing optimization toolkits like libraries, systems, and compilers to augment LLMs' efficiency and efficacy across different stages. Finally, we further discuss the predominant challenges and potential avenues for future research in this domain. Additionally, we have established a repository where we curate relevant literature with real-time updates at https://github.com/Strivin0311/long-llms-learning.

Tool-Augmented Larage Language Models (TA-LLMs) have shown promise in real-world applications, but face challenges in handling incomplete queries and out-of-scope requests. While existing approaches rely mainly on Supervised Fine-Tuning with expert trajectories, we propose DiaTool-DPO, a novel method that enhances TA-LLM's dialogue capabilities through Direct Preference Optimization. We model TA-LLM interactions as a Markov Decision Process with 5 distinct dialogue states and categorize user queries into 3 types based on their state transition trajectories. We automatically construct paired trajectory datasets of correct and incorrect dialogue flows and introduce a specialized objective loss for dialogue control. Our comprehensive evaluation demonstrates that DiaTool-DPO approaches GPT-4o's performance (94.8% in information gathering, 91% in tool call rejection) with substantial improvements over baseline (44% and 9.6% respectively) while maintaining core functionality. Our approach opens new possibilities for developing TA-LLMs that can handle diverse real-world scenarios without requiring additional expert demonstrations or human labeling.

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

As organizations scale adoption of generative AI, model cost optimization and operational efficiency have emerged as critical factors determining sustainability and accessibility. While Large Language Models (LLMs) demonstrate impressive capabilities across diverse tasks, their extensive computational requirements make them cost-prohibitive for routine enterprise use. This limitation motivates the exploration of Small Language Models (SLMs), which can deliver comparable performance in targeted applications while drastically reducing infrastructure overhead (Irugalbandara et al., 2023). In this work, we investigate the feasibility of replacing LLM-driven workflows with optimized SLMs. We trained a domain-adapted SLM to execute representative tasks traditionally handled by LLMs, such as document summarization, query answering, and structured data interpretation. As part of the experiment, we investigated the fine-tuning of facebook/opt-350m model (single epoch only) using the Hugging Face TRL (Transformer Reinforcement Learning), specifically the Supervised Fine-Tuning (SFT) trainer. The OPT-350M model was released by Meta AI in 2022 as part of the OPT (Open Pretrained Transformer) family of models. Similar studies demonstrate that even models at the 350M parameter scale can meaningfully contribute to instruction-tuning pipelines (Mekala et al., 2024). Experimental results demonstrated that our fine-tuned SLM achieves exceptional performance with a 77.55\% pass rate on ToolBench evaluation, significantly outperforming all baseline models including ChatGPT-CoT (26.00\%), ToolLLaMA-DFS (30.18\%), and ToolLLaMA-CoT (16.27\%). These findings emphasize that thoughtful design and targeted training of SLMs can significantly lower barriers to adoption, enabling cost-effective, large-scale integration of generative AI into production systems.

This paper reports our work on building up a Cantonese Speech-to-Text (STT) system with a syllable based acoustic model. This is a part of an effort in building a STT system to aid dyslexic students who have cognitive deficiency in writing skills but have no problem expressing their ideas through speech. For Cantonese speech recognition, the basic unit of acoustic models can either be the conventional Initial-Final (IF) syllables, or the Onset-Nucleus-Coda (ONC) syllables where finals are further split into nucleus and coda to reflect the intra-syllable variations in Cantonese. By using the Kaldi toolkit, our system is trained using the stochastic gradient descent optimization model with the aid of GPUs for the hybrid Deep Neural Network and Hidden Markov Model (DNN-HMM) with and without I-vector based speaker adaptive training technique. The input features of the same Gaussian Mixture Model with speaker adaptive training (GMM-SAT) to DNN are used in all cases. Experiments show that the ONC-based syllable acoustic modeling with I-vector based DNN-HMM achieves the best performance with the word error rate (WER) of 9.66% and the real time factor (RTF) of 1.38812.

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term K-RCPS, which allows to (i) provide entrywise calibrated intervals for future samples of any diffusion model, and (ii) control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities. Effectively leveraging this potential for complex tasks hinges crucially on improving their ability to use tools. Synthesizing tool use data by simulating the real world is an effective approach. Nevertheless, our investigation reveals that training gains significantly decay as the scale of these data increases. The primary factor is the model's poor performance (a.k.a deficiency) in complex scenarios, which hinders learning from data using SFT. Driven by this objective, we propose an iterative reinforced fine-tuning strategy to continually guide the model to alleviate it. Specifically, we first identify deficiency-related data based on feedback from the policy model, then perform a Monte Carlo Tree Search to collect fine-grained preference pairs to pinpoint deficiencies. Subsequently, we update the policy model using preference optimization to align with ground truth and misalign with deficiencies. This process can be iterated. Moreover, before the iteration, we propose an easy-to-hard warm-up SFT strategy to facilitate learning from challenging data. The experiments demonstrate our models go beyond the same parametric models, outperforming many larger open-source and closed-source models. Additionally, it has achieved notable training gains in complex tool use scenarios.

Reinforcement Learning from Human Feedback (RLHF) has emerged as a pivotal tool for aligning large language models (LLMs) with human preferences. Direct Preference Optimization (DPO), one of the most popular approaches, formulates RLHF as a policy optimization problem without explicitly estimating the reward function. It overcomes the stability and efficiency issues of two-step approaches, which typically involve first estimating the reward function and then optimizing the policy via proximal policy optimization (PPO). Since RLHF is essentially an optimization problem, and it is well-known that momentum techniques can accelerate optimization both theoretically and empirically, a natural question arises: Can RLHF be accelerated by momentum? This paper answers this question in the affirmative. In detail, we first show that the iterative preference optimization method can be viewed as a proximal point method. Based on this observation, we propose a general Accelerated Preference Optimization (APO) framework, which unifies many existing preference optimization algorithms and employs Nesterov's momentum technique to speed up the alignment of LLMs. Theoretically, we demonstrate that APO can achieve a faster convergence rate than the standard iterative preference optimization methods, including DPO and Self-Play Preference Optimization (SPPO). Empirically, we show the superiority of APO over DPO, iterative DPO, and other strong baselines for RLHF on the AlpacaEval 2.0 benchmark.

Large Language Models (LLMs) have emerged as powerful tools capable of accomplishing a broad spectrum of tasks. Their abilities span numerous areas, and one area where they have made a significant impact is in the domain of code generation. In this context, we view LLMs as mutation and crossover tools. Meanwhile, Quality-Diversity (QD) algorithms are known to discover diverse and robust solutions. By merging the code-generating abilities of LLMs with the diversity and robustness of QD solutions, we introduce LLMatic, a Neural Architecture Search (NAS) algorithm. While LLMs struggle to conduct NAS directly through prompts, LLMatic uses a procedural approach, leveraging QD for prompts and network architecture to create diverse and highly performant networks. We test LLMatic on the CIFAR-10 image classification benchmark, demonstrating that it can produce competitive networks with just 2,000 searches, even without prior knowledge of the benchmark domain or exposure to any previous top-performing models for the benchmark.

Recent advances in large language models (LLMs) have popularized test-time scaling, where models generate additional reasoning tokens before producing final answers. These approaches have demonstrated significant performance improvements on benchmarks involving mathematical reasoning. However, language models relying solely on direct inference still struggle with tasks demanding up-to-date knowledge or computational tools such as calculators and code interpreters for complex arithmetic operations. To overcome these limitations, we propose Tool-Augmented Policy Optimization (TAPO), a novel reinforcement learning framework that systematically integrates multi-hop reasoning with adaptive tool-calling capabilities. Our approach employs a modified version of Dynamic Sampling Policy Optimization (DAPO), a recently developed RL paradigm, which we adapt specifically for tool invocation scenarios, enabling models to dynamically interleave complex reasoning with on-demand tool usage (including search APIs and Python interpreters). To support this research, we introduce two new datasets: TAPO-easy-60K and TAPO-hard-18K, specifically designed to train and evaluate both fact-based reasoning and mathematical calculation capabilities. Our experiments on Qwen2.5-3B and Qwen2.5-7B models demonstrate the effectiveness of our approach, with both models achieving state-of-the-art performance on tasks requiring external knowledge and mathematical computation among methods with comparable parameters. Notably, TAPO achieves more efficient tool utilization than baseline methods while preventing excessive calls caused by reward hacking. These results highlight the significant potential of combining advanced reasoning with tool usage to enhance model performance in knowledge-intensive and computationally demanding tasks.

Aligning Large Language Models (LLMs) with human values and preferences is essential for making them helpful and safe. However, building efficient tools to perform alignment can be challenging, especially for the largest and most competent LLMs which often contain tens or hundreds of billions of parameters. We create NeMo-Aligner, a toolkit for model alignment that can efficiently scale to using hundreds of GPUs for training. NeMo-Aligner comes with highly optimized and scalable implementations for major paradigms of model alignment such as: Reinforcement Learning from Human Feedback (RLHF), Direct Preference Optimization (DPO), SteerLM, and Self-Play Fine-Tuning (SPIN). Additionally, our toolkit supports running most of the alignment techniques in a Parameter Efficient Fine-Tuning (PEFT) setting. NeMo-Aligner is designed for extensibility, allowing support for other alignment techniques with minimal effort. It is open-sourced with Apache 2.0 License and we invite community contributions at https://github.com/NVIDIA/NeMo-Aligner

Tool-augmented language models have demonstrated strong capabilities, but their reliance on live API access creates scalability and reliability challenges during training and deployment. We propose MTR, a simulation-first training framework for tool-augmented reasoning. Instead of relying on live APIs, MTR learns from complete ReAct traces with schema-validated, simulated observations. Our approach operates through a multi-agent architecture where a ToolMaker generates task-specific, OpenAI-compatible tool interfaces, an AutoAgent produces structured think-act-observe sequences, and a ToolActor simulates realistic responses. Training proceeds in two stages: Stage-1 Supervised Fine-Tuning (SFT) teaches 'trace grammar' from complete reasoning sequences; Stage-2 Group Relative Policy Optimization (GRPO) optimizes strategy with a composite trace reward that balances answer correctness and internal consistency. Across four multi-hop QA benchmarks (HotpotQA, MuSiQue, 2WikiMultiHopQA, Bamboogle), MTR attains competitive Exact Match (EM) scores to live-API systems and excels on reasoning-intensive tasks, suggesting that effective tool reasoning can be learned from structured traces without live interactions.

Graph Neural Architecture Search (GNAS) facilitates the automatic design of Graph Neural Networks (GNNs) tailored to specific downstream graph learning tasks. However, existing GNAS approaches often require manual adaptation to new graph search spaces, necessitating substantial code optimization and domain-specific knowledge. To address this challenge, we present LLM4GNAS, a toolkit for GNAS that leverages the generative capabilities of Large Language Models (LLMs). LLM4GNAS includes an algorithm library for graph neural architecture search algorithms based on LLMs, enabling the adaptation of GNAS methods to new search spaces through the modification of LLM prompts. This approach reduces the need for manual intervention in algorithm adaptation and code modification. The LLM4GNAS toolkit is extensible and robust, incorporating LLM-enhanced graph feature engineering, LLM-enhanced graph neural architecture search, and LLM-enhanced hyperparameter optimization. Experimental results indicate that LLM4GNAS outperforms existing GNAS methods on tasks involving both homogeneous and heterogeneous graphs.

Large language models split into two families: reasoning-centric LLMs, which strengthen internal chain-of-thought reasoning but cannot invoke external tools, and agentic LLMs, which learn to interact with environments and leverage tools but often lag in deep reasoning. This divide arises from fundamentally different training objectives, leading to mismatched strengths and inefficiency on simple queries, where both families tend to overthink or over-call tools. In this work, we present Adaptive Agent Foundation Model (A^2FM), a unified framework that follows a route-then-align principle: the model first learns task-aware routing and then aligns mode-specific trajectories under a shared backbone. To address the inefficiency gap, we introduce a third mode-instant-that handles simple queries directly, preventing unnecessary reasoning or tool calls while complementing the agentic and reasoning modes. To jointly enhance accuracy and efficiency, we propose Adaptive Policy Optimization (APO), which enforces adaptive sampling across modes and applies a cost-regularized reward. On the 32B scale, A^2FM achieves 13.4% on BrowseComp, 70.4% on AIME25, and 16.7% on HLE, setting new SOTA among comparable models and performing competitively with frontier LLMs across agentic, reasoning, and general benchmarks. Notably, the adaptive execution achieves a cost of pass of only $0.00487 per correct answer-cutting cost by 45.2% relative to reasoning and 33.5% relative to agentic, thus delivering substantially higher cost efficiency while maintaining comparable accuracy.

For fair academic recruitment at universities and research institutions, determination of the right measure based on globally accepted academic quality features is a highly delicate, challenging, but quite important problem to be addressed. In a series of two papers, we consider the modeling part for academic quality quantification in the first paper, in this paper, and the case studies part in the second paper. For academic quality quantification modeling, we develop two computational frameworks which can be used to construct a decision-support tool: (i) an optimization-based framework and (ii) a Siamese network (a type of artificial neural network)-based framework. The output of both models is a single index called Academic Quality Index (AQI) which is a measure of the overall academic quality. The data of academics from first-class and average-class world universities, based on Times Higher Education World University Rankings and QS World University Rankings, are assumed as the reference data for tuning model parameters.

Outcome-driven reinforcement learning has advanced reasoning in large language models (LLMs), but prevailing tool-augmented approaches train a single, monolithic policy that interleaves thoughts and tool calls under full context; this scales poorly with long horizons and diverse tools and generalizes weakly to new scenarios. Agentic systems offer a promising alternative by decomposing work across specialized modules, yet most remain training-free or rely on offline training decoupled from the live dynamics of multi-turn interaction. We introduce AgentFlow, a trainable, in-the-flow agentic framework that coordinates four modules (planner, executor, verifier, generator) through an evolving memory and directly optimizes its planner inside the multi-turn loop. To train on-policy in live environments, we propose Flow-based Group Refined Policy Optimization (Flow-GRPO), which tackles long-horizon, sparse-reward credit assignment by converting multi-turn optimization into a sequence of tractable single-turn policy updates. It broadcasts a single, verifiable trajectory-level outcome to every turn to align local planner decisions with global success and stabilizes learning with group-normalized advantages. Across ten benchmarks, AgentFlow with a 7B-scale backbone outperforms top-performing baselines with average accuracy gains of 14.9% on search, 14.0% on agentic, 14.5% on mathematical, and 4.1% on scientific tasks, even surpassing larger proprietary models like GPT-4o. Further analyses confirm the benefits of in-the-flow optimization, showing improved planning, enhanced tool-calling reliability, and positive scaling with model size and reasoning turns.

Machine Translation (MT) is undergoing a paradigm shift, with systems based on fine-tuned large language models (LLM) becoming increasingly competitive with traditional encoder-decoder models trained specifically for translation tasks. However, LLM-based systems are at a higher risk of generating hallucinations, which can severely undermine user's trust and safety. Most prior research on hallucination mitigation focuses on traditional MT models, with solutions that involve post-hoc mitigation - detecting hallucinated translations and re-translating them. While effective, this approach introduces additional complexity in deploying extra tools in production and also increases latency. To address these limitations, we propose a method that intrinsically learns to mitigate hallucinations during the model training phase. Specifically, we introduce a data creation framework to generate hallucination focused preference datasets. Fine-tuning LLMs on these preference datasets reduces the hallucination rate by an average of 96% across five language pairs, while preserving overall translation quality. In a zero-shot setting our approach reduces hallucinations by 89% on an average across three unseen target languages.

The advancement of Large Vision-Language Models (LVLMs) has propelled their application in the medical field. However, Medical LVLMs (Med-LVLMs) encounter factuality challenges due to modality misalignment, where the models prioritize textual knowledge over visual input, leading to hallucinations that contradict information in medical images. Previous attempts to enhance modality alignment in Med-LVLMs through preference optimization have inadequately mitigated clinical relevance in preference data, making these samples easily distinguishable and reducing alignment effectiveness. To address this challenge, we propose MMedPO, a novel multimodal medical preference optimization approach that considers the clinical relevance of preference samples to enhance Med-LVLM alignment. MMedPO curates multimodal preference data by introducing two types of dispreference: (1) plausible hallucinations injected through target Med-LVLMs or GPT-4o to produce medically inaccurate responses, and (2) lesion region neglect achieved through local lesion-noising, disrupting visual understanding of critical areas. We then calculate clinical relevance for each sample based on scores from multiple Med-LLMs and visual tools, and integrate these scores into the preference optimization process as weights, enabling effective alignment. Our experiments demonstrate that MMedPO significantly enhances factual accuracy in Med-LVLMs, achieving substantial improvements over existing preference optimization methods by averaging 14.2% and 51.7% across the Med-VQA and report generation tasks. Our code are available in https://github.com/aiming-lab/MMedPO.

LLMs have gained immense popularity among researchers and the general public for its impressive capabilities on a variety of tasks. Notably, the efficacy of LLMs remains significantly dependent on the quality and structure of the input prompts, making prompt design a critical factor for their performance. Recent advancements in automated prompt optimization have introduced diverse techniques that automatically enhance prompts to better align model outputs with user expectations. However, these methods often suffer from the lack of standardization and compatibility across different techniques, limited flexibility in customization, inconsistent performance across model scales, and they often exclusively rely on expensive proprietary LLM APIs. To fill in this gap, we introduce GREATERPROMPT, a novel framework that democratizes prompt optimization by unifying diverse methods under a unified, customizable API while delivering highly effective prompts for different tasks. Our framework flexibly accommodates various model scales by leveraging both text feedback-based optimization for larger LLMs and internal gradient-based optimization for smaller models to achieve powerful and precise prompt improvements. Moreover, we provide a user-friendly Web UI that ensures accessibility for non-expert users, enabling broader adoption and enhanced performance across various user groups and application scenarios. GREATERPROMPT is available at https://github.com/psunlpgroup/GreaterPrompt via GitHub, PyPI, and web user interfaces.

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process, i.e., agents' interaction trajectory leading to task completion, remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively. Our approach revisits and enhances former pilot trajectories through three key operations: revision, recombination, and refinement. This evolutionary mechanism enables two critical advantages: (1) it expands the search space beyond local optima by intelligently exploring diverse solution paths guided by previous trajectories, and (2) it leverages cross-trajectory inspiration to efficiently enhance performance while mitigating the impact of suboptimal reasoning paths. Through these mechanisms, SE-Agent achieves continuous self-evolution that incrementally improves reasoning quality. We evaluate SE-Agent on SWE-bench Verified to resolve real-world GitHub issues. Experimental results across five strong LLMs show that integrating SE-Agent delivers up to 55% relative improvement, achieving state-of-the-art performance among all open-source agents on SWE-bench Verified. Our code and demonstration materials are publicly available at https://github.com/JARVIS-Xs/SE-Agent.

TerraTorch is a fine-tuning and benchmarking toolkit for Geospatial Foundation Models built on PyTorch Lightning and tailored for satellite, weather, and climate data. It integrates domain-specific data modules, pre-defined tasks, and a modular model factory that pairs any backbone with diverse decoder heads. These components allow researchers and practitioners to fine-tune supported models in a no-code fashion by simply editing a training configuration. By consolidating best practices for model development and incorporating the automated hyperparameter optimization extension Iterate, TerraTorch reduces the expertise and time required to fine-tune or benchmark models on new Earth Observation use cases. Furthermore, TerraTorch directly integrates with GEO-Bench, allowing for systematic and reproducible benchmarking of Geospatial Foundation Models. TerraTorch is open sourced under Apache 2.0, available at https://github.com/IBM/terratorch, and can be installed via pip install terratorch.

Large language model (LLM)-based agents are increasingly trained with reinforcement learning (RL) to enhance their ability to interact with external environments through tool use, particularly in search-based settings that require multi-turn reasoning and knowledge acquisition. However, existing approaches typically rely on outcome-based rewards that are only provided at the final answer. This reward sparsity becomes particularly problematic in multi-turn settings, where long trajectories exacerbate two critical issues: (i) advantage collapse, where all rollouts receive identical rewards and provide no useful learning signals, and (ii) lack of fine-grained credit assignment, where dependencies between turns are obscured, especially in long-horizon tasks. In this paper, we propose Information Gain-based Policy Optimization (IGPO), a simple yet effective RL framework that provides dense and intrinsic supervision for multi-turn agent training. IGPO models each interaction turn as an incremental process of acquiring information about the ground truth, and defines turn-level rewards as the marginal increase in the policy's probability of producing the correct answer. Unlike prior process-level reward approaches that depend on external reward models or costly Monte Carlo estimation, IGPO derives intrinsic rewards directly from the model's own belief updates. These intrinsic turn-level rewards are combined with outcome-level supervision to form dense reward trajectories. Extensive experiments on both in-domain and out-of-domain benchmarks demonstrate that IGPO consistently outperforms strong baselines in multi-turn scenarios, achieving higher accuracy and improved sample efficiency.

Reinforcement learning from human feedback (RLHF) has emerged as a central tool for language model alignment. We consider online exploration in RLHF, which exploits interactive access to human or AI feedback by deliberately encouraging the model to produce diverse, maximally informative responses. By allowing RLHF to confidently stray from the pre-trained model, online exploration offers the possibility of novel, potentially super-human capabilities, but its full potential as a paradigm for language model training has yet to be realized, owing to computational and statistical bottlenecks in directly adapting existing reinforcement learning techniques. We propose a new algorithm for online exploration in RLHF, Exploratory Preference Optimization (XPO), which is simple and practical -- a one-line change to (online) Direct Preference Optimization (DPO; Rafailov et al., 2023) -- yet enjoys the strongest known provable guarantees and promising empirical performance. XPO augments the DPO objective with a novel and principled exploration bonus, empowering the algorithm to explore outside the support of the initial model and human feedback data. In theory, we show that XPO is provably sample-efficient and converges to a near-optimal language model policy under natural exploration conditions, irrespective of whether the initial model has good coverage. Our analysis, which builds on the observation that DPO implicitly performs a form of Q^{star}-approximation (or, Bellman error minimization), combines previously disparate techniques from language modeling and theoretical reinforcement learning in a serendipitous fashion through the perspective of KL-regularized Markov decision processes. Empirically, we find that XPO is more sample-efficient than non-exploratory DPO variants in a preliminary evaluation.

Large Language Models (LLMs) have transformed software engineering, but their application to physical engineering domains remains underexplored. This paper evaluates LLMs' capabilities in high-powered rocketry design through RocketBench, a benchmark connecting LLMs to high-fidelity rocket simulations. We test models on two increasingly complex design tasks: target altitude optimization and precision landing challenges. Our findings reveal that while state-of-the-art LLMs demonstrate strong baseline engineering knowledge, they struggle to iterate on their designs when given simulation results and ultimately plateau below human performance levels. However, when enhanced with reinforcement learning (RL), we show that a 7B parameter model outperforms both SoTA foundation models and human experts. This research demonstrates that RL-trained LLMs can serve as effective tools for complex engineering optimization, potentially transforming engineering domains beyond software development.

Enabling Large Language Models (LLMs) to reliably invoke external tools remains a critical bottleneck for autonomous agents. Existing approaches suffer from three fundamental challenges: expensive human annotation for high-quality trajectories, poor generalization to unseen tools, and quality ceilings inherent in single-model synthesis that perpetuate biases and coverage gaps. We introduce InfTool, a fully autonomous framework that breaks these barriers through self-evolving multi-agent synthesis. Given only raw API specifications, InfTool orchestrates three collaborative agents (User Simulator, Tool-Calling Assistant, and MCP Server) to generate diverse, verified trajectories spanning single-turn calls to complex multi-step workflows. The framework establishes a closed loop: synthesized data trains the model via Group Relative Policy Optimization (GRPO) with gated rewards, the improved model generates higher-quality data targeting capability gaps, and this cycle iterates without human intervention. Experiments on the Berkeley Function-Calling Leaderboard (BFCL) demonstrate that InfTool transforms a base 32B model from 19.8% to 70.9% accuracy (+258%), surpassing models 10x larger and rivaling Claude-Opus, and entirely from synthetic data without human annotation.

This report investigates approaches for prompting a tool-augmented large language model (LLM) to act as a role-playing dialogue agent in the API track of the Commonsense Persona-grounded Dialogue Challenge (CPDC) 2025. In this setting, dialogue agents often produce overly long in-character responses (over-speaking) while failing to use tools effectively according to the persona (under-acting), such as generating function calls that do not exist or making unnecessary tool calls before answering. We explore four prompting approaches to address these issues: 1) basic role prompting, 2) human-crafted role prompting, 3) automatic prompt optimization (APO), and 4) rule-based role prompting. The rule-based role prompting (RRP) approach achieved the best performance through two novel techniques--character-card/scene-contract design and strict enforcement of function calling--which led to an overall score of 0.571, improving on the zero-shot baseline score of 0.519. These findings demonstrate that RRP design can substantially improve the effectiveness and reliability of role-playing dialogue agents compared with more elaborate methods such as APO. To support future efforts in developing persona prompts, we are open-sourcing all of our best-performing prompts and the APO tool. Source code is available at https://github.com/scb-10x/apo.

Large language models (LLMs) have exhibited the ability to effectively utilize external tools to address user queries. However, their performance may be limited in complex, multi-turn interactions involving users and multiple tools. To address this, we propose Magnet, a principled framework for synthesizing high-quality training trajectories to enhance the function calling capability of large language model agents in multi-turn conversations with humans. The framework is based on automatic and iterative translations from a function signature path to a sequence of queries and executable function calls. We model the complicated function interactions in multi-turn cases with graph and design novel node operations to build reliable signature paths. Motivated by context distillation, when guiding the generation of positive and negative trajectories using a teacher model, we provide reference function call sequences as positive hints in context and contrastive, incorrect function calls as negative hints. Experiments show that training with the positive trajectories with supervised fine-tuning and preference optimization against negative trajectories, our 14B model, Magnet-14B-mDPO, obtains 68.01 on BFCL-v3 and 73.30 on ToolQuery, surpassing the performance of the teacher model Gemini-1.5-pro-002 by a large margin in function calling.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

Tool-augmented Language Models (TaLMs) can invoke external tools to solve problems beyond their parametric capacity. However, it remains unclear whether these tool-enabled gains reflect trustworthy reasoning. Focusing on the Code Interpreter tool, we show that even when tools are selected and executed correctly, TaLMs treat tool outputs as substitutes for reasoning, producing solutions that appear correct but lack coherent justification. We term this failure mode Tool-Induced Myopia (TIM), and study it using PYMATH, a benchmark of 1,679 competition-level mathematical problems for which Python code is helpful but not sufficient. We further develop a multi-dimensional evaluation suite to quantify reasoning degradation in TaLMs relative to their non-tool counterparts. Our findings reveal that while TaLMs achieve up to a 19.3 percentage point gain in final-answer accuracy, their reasoning behavior consistently deteriorates (e.g., non-tool LLMs win up to 41.5% more often in pairwise comparisons of the reasoning process). This degradation intensifies with tool use; the more frequently a model invokes tools, the less coherent its reasoning becomes. Moreover, tool use shifts errors from arithmetic mistakes toward global reasoning failures (logic, assumption, creativity); with TIM present in ~55% of high-risk cases. Finally, we propose a preference-optimization-based framework that realigns TaLMs to use tools as assistive evidence, improving both final-answer accuracy and reasoning depth under tool use. Codes and data are available at: https://github.com/megagonlabs/TIM.

AI development environments are evolving into observability first platforms that integrate real time telemetry, prompt traces, and evaluation feedback into the developer workflow. This paper introduces telemetry aware integrated development environments (IDEs) enabled by the Model Context Protocol (MCP), a system that connects IDEs with prompt metrics, trace logs, and versioned control for real time refinement. We present design patterns for local prompt iteration, CI based optimization, and autonomous agents that adapt behavior using telemetry. Rather than focusing on a single algorithm, we describe an architecture that supports integration with frameworks like DSPy, PromptWizard, and Prompts as Programs. We demonstrate this through Opik, an open source MCP server for LLM telemetry, and position our approach within the emerging LLMOps ecosystem. This work lays a foundation for future research on prompt optimization, IDE agent tooling, and empirical benchmarking in telemetry rich AI development workflows.

Agentic vision-language models are increasingly trained to "think with images" by calling image operations. However, we show that high final-answer accuracy often hides unfaithful visual reasoning: models may invoke tools on irrelevant regions or ignore tool outputs entirely, yet still guess the correct answer. In this work, we first propose a faithfulness evaluation protocol that measures whether intermediate visual tool outputs (e.g., crops) actually contain the queried evidence. This reveals that recent visual agents achieve high final-answer accuracy but exhibit low rates of faithful tool-use on visual search benchmarks. We then introduce CodeV, a code-based visual agent trained with Tool-Aware Policy Optimization (TAPO). TAPO is a process-level RL framework that augments GRPO with dense rewards defined directly on visual tool inputs and outputs, rather than on chain-of-thought tokens, making supervision easier to verify and less susceptible to reward hacking. CodeV represents visual tools as executable Python code, and TAPO assigns step-wise rewards based solely on the question and tool output, encouraging both necessary and evidence-consistent tool use. In a two-stage SFT+RL pipeline, CodeV achieves competitive or superior accuracy while substantially increasing faithful tool-use rates on related visual search benchmarks. Beyond visual search, CodeV attains strong performance on a range of multimodal reasoning and math benchmarks, suggesting that explicitly supervising intermediate tool behavior is crucial for building trustworthy, agentic visual reasoning systems.

Mathematical reasoning poses a significant challenge for language models due to its complex and structured nature. In this paper, we introduce DeepSeekMath 7B, which continues pre-training DeepSeek-Coder-Base-v1.5 7B with 120B math-related tokens sourced from Common Crawl, together with natural language and code data. DeepSeekMath 7B has achieved an impressive score of 51.7% on the competition-level MATH benchmark without relying on external toolkits and voting techniques, approaching the performance level of Gemini-Ultra and GPT-4. Self-consistency over 64 samples from DeepSeekMath 7B achieves 60.9% on MATH. The mathematical reasoning capability of DeepSeekMath is attributed to two key factors: First, we harness the significant potential of publicly available web data through a meticulously engineered data selection pipeline. Second, we introduce Group Relative Policy Optimization (GRPO), a variant of Proximal Policy Optimization (PPO), that enhances mathematical reasoning abilities while concurrently optimizing the memory usage of PPO.

In 3D human pose and shape estimation, SMPLify remains a robust baseline that solves inverse kinematics (IK) through iterative optimization. However, its high computational cost limits its practicality. Recent advances across domains have shown that replacing iterative optimization with data-driven neural networks can achieve significant runtime improvements without sacrificing accuracy. Motivated by this trend, we propose Learnable SMPLify, a neural framework that replaces the iterative fitting process in SMPLify with a single-pass regression model. The design of our framework targets two core challenges in neural IK: data construction and generalization. To enable effective training, we propose a temporal sampling strategy that constructs initialization-target pairs from sequential frames. To improve generalization across diverse motions and unseen poses, we propose a human-centric normalization scheme and residual learning to narrow the solution space. Learnable SMPLify supports both sequential inference and plug-in post-processing to refine existing image-based estimators. Extensive experiments demonstrate that our method establishes itself as a practical and simple baseline: it achieves nearly 200x faster runtime compared to SMPLify, generalizes well to unseen 3DPW and RICH, and operates in a model-agnostic manner when used as a plug-in tool on LucidAction. The code is available at https://github.com/Charrrrrlie/Learnable-SMPLify.

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

Despite having powerful reasoning and inference capabilities, Large Language Models (LLMs) still need external tools to acquire real-time information retrieval or domain-specific expertise to solve complex tasks, which is referred to as tool learning. Existing tool learning methods primarily rely on tuning with expert trajectories, focusing on token-sequence learning from a linguistic perspective. However, there are several challenges: 1) imitating static trajectories limits their ability to generalize to new tasks. 2) even expert trajectories can be suboptimal, and better solution paths may exist. In this work, we introduce StepTool, a novel step-grained reinforcement learning framework to improve tool learning in LLMs. It consists of two components: Step-grained Reward Shaping, which assigns rewards at each tool interaction based on tool invocation success and its contribution to the task, and Step-grained Optimization, which uses policy gradient methods to optimize the model in a multi-step manner. Experimental results demonstrate that StepTool significantly outperforms existing methods in multi-step, tool-based tasks, providing a robust solution for complex task environments. Codes are available at https://github.com/yuyq18/StepTool.

Regardless of the selected asset class and the level of model complexity (Transformer versus LSTM versus Perceptron/RNN), the GMADL loss function produces superior results than standard MSE-type loss functions and has better numerical properties in the context of optimization than MADL. Better results mean the possibility of achieving a higher risk-weighted return based on buy and sell signals built on forecasts generated by a given theoretical model estimated using the GMADL versus MSE or MADL function. In practice, GMADL solves the problem of selecting the most preferable feature in both classification and regression problems, improving the performance of each estimation. What is important is that, through additional parameterization, GMADL also solves the problem of optimizing investment systems on high-frequency data in such a way that they focus on strategy variants that contain fewer transactions so that transaction costs do not reduce the effectiveness of a given strategy to zero. Moreover, the implementation leverages state-of-the-art machine learning tools, including frameworks for hyperparameter tuning, architecture testing, and walk-forward optimization, ensuring robust and scalable solutions for real-world algorithmic trading.

Checkpointing to preserve training states is crucial during the development of Large Foundation Models (LFMs), for training resumption upon various failures or changes in GPU resources and parallelism configurations. In addition, saved checkpoints are dispatched to evaluation tasks or transferred across different training stages (e.g., from pre-training to post-training). All these scenarios require resharding distributed checkpoints from one parallelism to another. In production environments, different LFMs are trained with various frameworks and storage backends, depending on model sizes and training scales. A high-performance checkpointing system is needed to enable efficient checkpoint management at scale throughout the lifecycle of LFM development. We introduce ByteCheckpoint, an industrial-grade checkpointing system for large-scale LFM training. ByteCheckpoint features: a parallelism-agnostic checkpoint representation that enables efficient load-time checkpoint resharding; a generic checkpoint saving/loading workflow to accommodate multiple training frameworks and support different storage backends; full-stack optimizations to ensure high I/O efficiency and scalability; a suite of monitoring tools to streamline large-scale performance analysis and bottleneck detection. Compared to existing open-source checkpointing systems [52, 58], ByteCheckpoint significantly reduces runtime checkpoint stalls, achieving an average reduction of 54.20x. For saving and loading times, ByteCheckpoint achieves improvements of up to 9.96x and 8.80x, respectively.

AutoIntent is an automated machine learning tool for text classification tasks. Unlike existing solutions, AutoIntent offers end-to-end automation with embedding model selection, classifier optimization, and decision threshold tuning, all within a modular, sklearn-like interface. The framework is designed to support multi-label classification and out-of-scope detection. AutoIntent demonstrates superior performance compared to existing AutoML tools on standard intent classification datasets and enables users to balance effectiveness and resource consumption.

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

Low-resource machine translation remains a significant challenge for large language models (LLMs), which often lack exposure to these languages during pretraining and have limited parallel data for fine-tuning. We propose a novel approach that enhances translation for low-resource languages by integrating an external dictionary tool and training models end-to-end using reinforcement learning, in addition to supervised fine-tuning. Focusing on the Spanish-Wayuunaiki language pair, we frame translation as a tool-augmented decision-making problem in which the model can selectively consult a bilingual dictionary during generation. Our method combines supervised instruction tuning with Guided Reward Policy Optimization (GRPO), enabling the model to learn both when and how to use the tool effectively. BLEU similarity scores are used as rewards to guide this learning process. Preliminary results show that our tool-augmented models achieve up to +3.37 BLEU improvement over previous work, and a 18% relative gain compared to a supervised baseline without dictionary access, on the Spanish-Wayuunaiki test set from the AmericasNLP 2025 Shared Task. We also conduct ablation studies to assess the effects of model architecture and training strategy, comparing Qwen2.5-0.5B-Instruct with other models such as LLaMA and a prior NLLB-based system. These findings highlight the promise of combining LLMs with external tools and the role of reinforcement learning in improving translation quality in low-resource language settings.

Large language models excel at basic reasoning but struggle with tasks that require interaction with external tools. We present RLFactory, a plug-and-play reinforcement learning post-training framework for multi-round tool use. RLFactory tackles (i) tool-call stability and adaptability amid tool heterogeneity and interface issues via an asyncio-based asynchronous caller and a decoupled tool/training architecture, and (ii) diverse evaluation needs via a reward layer supporting rule-based, model-judgment, and tool-verification signals. It reconstructs the MDP by introducing observation markers from tool feedback, closing the loop among model, tools, and environment, and implements a generate-parse-invoke-update workflow for dynamic policy optimization. On Search-R1 with Qwen3-4B, RLFactory achieves a 0.486 test score on the Natural Questions (NQ) dataset, surpassing larger models trained with similar techniques (e.g., Qwen2.5-7B-Instruct-GRPO at 0.473), and increases training throughput by 6.8x. RLFactory provides a low-barrier, highly adaptable framework for strengthening multi-round tool use of LLMs in real-world scenarios. Code: https://github.com/Simple-Efficient/RL-Factory.

Automated Planning and Scheduling is among the growing areas in Artificial Intelligence (AI) where mention of LLMs has gained popularity. Based on a comprehensive review of 126 papers, this paper investigates eight categories based on the unique applications of LLMs in addressing various aspects of planning problems: language translation, plan generation, model construction, multi-agent planning, interactive planning, heuristics optimization, tool integration, and brain-inspired planning. For each category, we articulate the issues considered and existing gaps. A critical insight resulting from our review is that the true potential of LLMs unfolds when they are integrated with traditional symbolic planners, pointing towards a promising neuro-symbolic approach. This approach effectively combines the generative aspects of LLMs with the precision of classical planning methods. By synthesizing insights from existing literature, we underline the potential of this integration to address complex planning challenges. Our goal is to encourage the ICAPS community to recognize the complementary strengths of LLMs and symbolic planners, advocating for a direction in automated planning that leverages these synergistic capabilities to develop more advanced and intelligent planning systems.

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.

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

Tool learning can further broaden the usage scenarios of large language models (LLMs). However most of the existing methods either need to finetune that the model can only use tools seen in the training data, or add tool demonstrations into the prompt with lower efficiency. In this paper, we present a new Tool Learning method Chain-of-Tools. It makes full use of the powerful semantic representation capability of frozen LLMs to finish tool calling in CoT reasoning with a huge and flexible tool pool which may contain unseen tools. Especially, to validate the effectiveness of our approach in the massive unseen tool scenario, we construct a new dataset SimpleToolQuestions. We conduct experiments on two numerical reasoning benchmarks (GSM8K-XL and FuncQA) and two knowledge-based question answering benchmarks (KAMEL and SimpleToolQuestions). Experimental results show that our approach performs better than the baseline. We also identify dimensions of the model output that are critical in tool selection, enhancing the model interpretability. Our code and data are available at: https://github.com/fairyshine/Chain-of-Tools .

The emergence of large-scale multi-modal generative models has drastically advanced artificial intelligence, introducing unprecedented levels of performance and functionality. However, optimizing these models remains challenging due to historically isolated paths of model-centric and data-centric developments, leading to suboptimal outcomes and inefficient resource utilization. In response, we present a novel sandbox suite tailored for integrated data-model co-development. This sandbox provides a comprehensive experimental platform, enabling rapid iteration and insight-driven refinement of both data and models. Our proposed "Probe-Analyze-Refine" workflow, validated through applications on state-of-the-art LLaVA-like and DiT based models, yields significant performance boosts, such as topping the VBench leaderboard. We also uncover fruitful insights gleaned from exhaustive benchmarks, shedding light on the critical interplay between data quality, diversity, and model behavior. With the hope of fostering deeper understanding and future progress in multi-modal data and generative modeling, our codes, datasets, and models are maintained and accessible at https://github.com/modelscope/data-juicer/blob/main/docs/Sandbox.md.

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

Tool learning, which allows Large Language Models (LLMs) to leverage external tools for solving complex user tasks, has emerged as a promising avenue for extending model capabilities. However, current approaches primarily focus on data synthesis for fine-tuning LLMs to invoke tools effectively, largely ignoring how to fully stimulate the potential of the model. In this paper, we propose ToolACE-R, a novel method that introduces adaptive self-refinement for tool invocations. Our approach features a model-aware iterative training procedure that progressively incorporates more training samples based on the model's evolving capabilities. Additionally, it allows LLMs to iteratively refine their tool calls, optimizing performance without requiring external feedback. To further enhance computational efficiency, we integrate an adaptive mechanism when scaling the inference time, enabling the model to autonomously determine when to stop the refinement process. We conduct extensive experiments across several benchmark datasets, showing that ToolACE-R achieves competitive performance compared to advanced API-based models, even without any refinement. Furthermore, its performance can be further improved efficiently through adaptive self-refinement. Our results demonstrate the effectiveness of the proposed method, which is compatible with base models of various sizes, offering a promising direction for more efficient tool learning.

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

Optimization is 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.

Recent advancements in function calling and tool use have significantly enhanced the capabilities of large language models (LLMs) by enabling them to interact with external information sources and execute complex tasks. However, the limited context window of LLMs presents challenges when a large number of tools are available, necessitating efficient methods to manage prompt length and maintain accuracy. Existing approaches, such as fine-tuning LLMs or leveraging their reasoning capabilities, either require frequent retraining or incur significant latency overhead. A more efficient solution involves training smaller models to retrieve the most relevant tools for a given query, although this requires high quality, domain-specific data. To address those challenges, we present a novel framework for generating synthetic data for tool retrieval applications and an efficient data-driven tool retrieval strategy using small encoder models. Empowered by LLMs, we create ToolBank, a new tool retrieval dataset that reflects real human user usages. For tool retrieval methodologies, we propose novel approaches: (1) Tool2Vec: usage-driven tool embedding generation for tool retrieval, (2) ToolRefiner: a staged retrieval method that iteratively improves the quality of retrieved tools, and (3) MLC: framing tool retrieval as a multi-label classification problem. With these new methods, we achieve improvements of up to 27.28 in Recall@K on the ToolBench dataset and 30.5 in Recall@K on ToolBank. Additionally, we present further experimental results to rigorously validate our methods. Our code is available at https://github.com/SqueezeAILab/Tool2Vec

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.

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.

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

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

Recent research shows the potential of enhancing the problem-solving ability of large language models (LLMs) through the use of external tools. However, prior work along this line depends on the availability of existing tools. In this work, we take an initial step towards removing this dependency by proposing a closed-loop framework, referred to as LLMs As Tool Makers (LATM), where LLMs create their own reusable tools for problem-solving. Our approach consists of two key phases: 1) tool making: an LLM acts as the tool maker that crafts tools for given tasks, where a tool is implemented as a Python utility function. 2) tool using: an LLM acts as the tool user, which applies the tool built by the tool maker for problem-solving. The tool user can be either the same or a different LLM from the tool maker. Tool-making enables an LLM to continually generate tools that can be applied to different requests so that future requests can call the corresponding APIs when beneficial for solving the tasks. Furthermore, the division of labor among LLMs for tool-making and tool-using phases introduces the opportunity to achieve cost effectiveness without degrading the quality of generated tools and problem solutions. For example, recognizing that tool-making demands more sophisticated capabilities than tool-using, we can apply a powerful yet resource-intensive model as the tool maker, and a lightweight while cost-effective model as the tool user. We validate the effectiveness of our approach across a variety of complex reasoning tasks, including Big-Bench tasks. With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM can achieve performance that is on par with using GPT-4 for both tool making and tool using, while the inference cost is significantly reduced.

Language models (LMs) are powerful yet mostly for text generation tasks. Tools have substantially enhanced their performance for tasks that require complex skills. However, many works adopt the term "tool" in different ways, raising the question: What is a tool anyway? Subsequently, where and how do tools help LMs? In this survey, we provide a unified definition of tools as external programs used by LMs, and perform a systematic review of LM tooling scenarios and approaches. Grounded on this review, we empirically study the efficiency of various tooling methods by measuring their required compute and performance gains on various benchmarks, and highlight some challenges and potential future research in the field.

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

Tools enhance the reasoning capabilities of large language models (LLMs) in complex problem-solving tasks, but not all tasks have available tools. In the absence of predefined tools, prior works have explored instructing LLMs to generate tools on their own. However, such approaches rely heavily on the models' internal knowledge and would fail in domains beyond the LLMs' knowledge scope. To address this limitation, we propose RefTool, a reference-guided framework for automatic tool creation that leverages structured external materials such as textbooks. RefTool consists of two modules: (1) tool creation, where LLMs generate executable tools from reference content, validate them using illustrative examples, and organize them hierarchically into a toolbox; and (2) tool utilization, where LLMs navigate the toolbox structure to select and apply the appropriate tools to solve problems. Experiments on causality, physics, and chemistry benchmarks demonstrate that RefTool outperforms existing tool-creation and domain-specific reasoning methods by 11.3% on average accuracy, while being cost-efficient and broadly generalizable. Analyses reveal that grounding tool creation in references produces accurate and faithful tools, and that the hierarchical structure facilitates effective tool selection. RefTool enables LLMs to overcome knowledge limitations, demonstrating the value of grounding tool creation in external references for enhanced and generalizable reasoning.

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

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.

The tool-using capability of large language models (LLMs) enables them to access up-to-date external information and handle complex tasks. Current approaches to enhancing this capability primarily rely on distilling advanced models by data synthesis. However, this method incurs significant costs associated with advanced model usage and often results in data compatibility issues, led by the high discrepancy in the knowledge scope between the advanced model and the target model. To address these challenges, we propose ToolACE-DEV, a self-improving framework for tool learning. First, we decompose the tool-learning objective into sub-tasks that enhance basic tool-making and tool-using abilities. Then, we introduce a self-evolving paradigm that allows lightweight models to self-improve, reducing reliance on advanced LLMs. Extensive experiments validate the effectiveness of our approach across models of varying scales and architectures.

Diffusion models have emerged as a formidable tool for training-free conditional generation.However, a key hurdle in inference-time guidance techniques is the need for compute-heavy backpropagation through the diffusion network for estimating the guidance direction. Moreover, these techniques often require handcrafted parameter tuning on a case-by-case basis. Although some recent works have introduced minimal compute methods for linear inverse problems, a generic lightweight guidance solution to both linear and non-linear guidance problems is still missing. To this end, we propose Dreamguider, a method that enables inference-time guidance without compute-heavy backpropagation through the diffusion network. The key idea is to regulate the gradient flow through a time-varying factor. Moreover, we propose an empirical guidance scale that works for a wide variety of tasks, hence removing the need for handcrafted parameter tuning. We further introduce an effective lightweight augmentation strategy that significantly boosts the performance during inference-time guidance. We present experiments using Dreamguider on multiple tasks across multiple datasets and models to show the effectiveness of the proposed modules. To facilitate further research, we will make the code public after the review process.

Large language models (LLMs) demonstrate strong mathematical reasoning, but reliance on closed-source APIs for OR tasks raises privacy concerns, and training open-source models from scratch incurs high compute costs. We introduce OR-Toolformer, which fine-tunes Llama-3.1-8B-Instruct with a semi-automatic data synthesis pipeline that generates diverse OR problem-answer pairs and augments the model with external solvers to produce API calls. On three of four standard benchmarks, OR-Toolformer achieves up to 80.1% execution accuracy, exceeding size-matched baselines by over 4.3%. In zero-shot evaluation on two unseen OR problem types, it attains 54% average accuracy, a 21 percentage-point improvement over the strongest baseline. These findings validate the efficacy of tool-augmented fine-tuning LLMs for accurate and generalizable OR problem modeling and solving.

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

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

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.

As Large Language Models (LLMs) evolve from passive text generators to active reasoning agents capable of tool interaction, the Model Context Protocol (MCP) has emerged as a standardized framework for dynamic tool discovery and orchestration. Despite widespread industry adoption, existing evaluation methodologies fail to adequately assess tool utilization capabilities within this new paradigm. This paper introduces MCP-RADAR, the first comprehensive benchmark specifically designed to evaluate LLM performance in the MCP framework through a novel five-dimensional approach measuring: answer accuracy, tool selection efficiency, computational resource efficiency, parameter construction accuracy, and execution speed. Unlike conventional benchmarks that rely on subjective human evaluations or binary success metrics, MCP-RADAR employs objective, quantifiable measurements across multiple task domains including software engineering, mathematical reasoning, and general problem-solving. Our evaluations of leading commercial and open-source LLMs reveal distinctive capability profiles with significant trade-offs between accuracy, efficiency, and speed, challenging traditional single-metric performance rankings. Besides, we provide valuable guidance for developers to optimize their tools for maximum model compatibility and effectiveness. While focused on MCP due to its standardized approach, our methodology remains applicable across all LLM agent tool integration frameworks, providing valuable insights for both LLM developers and tool creators to optimize the entire LLM-tool interaction ecosystem. The implementation, configurations, and datasets used in our evaluation are publicly available at https://anonymous.4open.science/r/MCPRadar-B143.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Large language models (LLMs) have shown promising capabilities in using external tools to solve complex problems. However, existing approaches either involve fine-tuning on tool demonstrations, which do not generalize to new tools without additional training, or providing tool documentation in context, limiting the number of tools. Both approaches often generate syntactically invalid tool calls. In this paper, we propose ToolDec, a finite-state machine-guided decoding algorithm for tool-augmented LLMs. ToolDec eliminates tool-related errors for any tool-augmented LLMs by ensuring valid tool names and type-conforming arguments. Furthermore, ToolDec enables LLM to effectively select tools using only the information contained in their names, with no need for fine-tuning or in-context documentation. We evaluated multiple prior methods and their ToolDec-enhanced versions on a variety of tasks involving tools like math functions, knowledge graph relations, and complex real-world RESTful APIs. Our experiments show that ToolDec reduces syntactic errors to zero, consequently achieving significantly better performance and as much as a 2x speedup. We also show that ToolDec achieves superior generalization performance on unseen tools, performing up to 8x better than the baselines.

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

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

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.

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

Recent studies on software tool manipulation with large language models (LLMs) mostly rely on closed model APIs. The industrial adoption of these models is substantially constrained due to the security and robustness risks in exposing information to closed LLM API services. In this paper, we ask can we enhance open-source LLMs to be competitive to leading closed LLM APIs in tool manipulation, with practical amount of human supervision. By analyzing common tool manipulation failures, we first demonstrate that open-source LLMs may require training with usage examples, in-context demonstration and generation style regulation to resolve failures. These insights motivate us to revisit classical methods in LLM literature, and demonstrate that we can adapt them as model alignment with programmatic data generation, system prompts and in-context demonstration retrievers to enhance open-source LLMs for tool manipulation. To evaluate these techniques, we create the ToolBench, a tool manipulation benchmark consisting of diverse software tools for real-world tasks. We demonstrate that our techniques can boost leading open-source LLMs by up to 90% success rate, showing capabilities competitive to OpenAI GPT-4 in 4 out of 8 ToolBench tasks. We show that such enhancement typically requires about one developer day to curate data for each tool, rendering a recipe with practical amount of human supervision.

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.

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

Tool learning enables large language models (LLMs) to interact with external tools and APIs, greatly expanding the application scope of LLMs. However, due to the dynamic nature of external environments, these tools and APIs may become outdated over time, preventing LLMs from correctly invoking tools. Existing research primarily focuses on static environments and overlooks this issue, limiting the adaptability of LLMs in real-world applications. In this paper, we propose ToolEVO, a novel framework designed to enhance the adaptive and reflective capabilities of LLMs against tool variability. By leveraging Monte Carlo Tree Search, ToolEVO facilitates active exploration and interaction of LLMs within dynamic environments, allowing for autonomous self-reflection and self-updating of tool usage based on environmental feedback. Additionally, we introduce ToolQA-D, a benchmark specifically designed to evaluate the impact of tool variability. Extensive experiments demonstrate the effectiveness and stability of our approach, highlighting the importance of adaptability to tool variability for effective tool learning.

External tools help large language models succeed at tasks where they would otherwise typically fail. In existing frameworks, choosing tools at test time relies on naive greedy decoding, regardless of whether the model has been fine-tuned on tool-annotated data or prompted with in-context examples. In contrast, we find that gathering and choosing among a suitable set of candidate tools has greater potential to lead to an optimal selection. We present Tool selECTion via meta-reasONing (TECTON), a two-phase system that first reasons over a task and outputs candidate tools using a custom fine-tuned language modelling head. Then, with the custom head disabled, it meta-reasons (i.e., it reasons over the previous reasoning process) to make a final choice. We show that TECTON results in substantial gains--both in-distribution and out-of-distribution--on a range of math reasoning datasets.

Current Large Language Model (LLM) agents demonstrate strong reasoning and tool use capabilities, but often lack self-awareness, failing to balance these approaches effectively. This imbalance leads to Tool Overuse, where models unnecessarily rely on external tools for tasks solvable with parametric knowledge, increasing computational overhead. Inspired by human metacognition, we introduce SMART (Strategic Model-Aware Reasoning with Tools), a paradigm that enhances an agent's self-awareness to optimize task handling and reduce tool overuse. To support this paradigm, we introduce SMART-ER, a dataset spanning three domains, where reasoning alternates between parametric knowledge and tool-dependent steps, with each step enriched by rationales explaining when tools are necessary. Through supervised training, we develop SMARTAgent, a family of models that dynamically balance parametric knowledge and tool use. Evaluations show that SMARTAgent reduces tool use by 24% while improving performance by over 37%, enabling 7B-scale models to match its 70B counterpart and GPT-4o. Additionally, SMARTAgent generalizes to out-of-distribution test data like GSM8K and MINTQA, maintaining accuracy with just one-fifth the tool calls. These highlight the potential of strategic tool use to enhance reasoning, mitigate overuse, and bridge the gap between model size and performance, advancing intelligent and resource-efficient agent designs.

Augmenting Large Language Models (LLMs) with external tools enables them to execute complex, multi-step tasks. However, tool learning is hampered by the static synthetic data pipelines where data generation and model training are executed as two separate, non-interactive processes. This approach fails to adaptively focus on a model's specific weaknesses and allows noisy labels to persist, degrading training efficiency. We introduce LoopTool, a fully automated, model-aware data evolution framework that closes this loop by tightly integrating data synthesis and model training. LoopTool iteratively refines both the data and the model through three synergistic modules: (1) Greedy Capability Probing (GCP) diagnoses the model's mastered and failed capabilities; (2) Judgement-Guided Label Verification (JGLV) uses an open-source judge model to find and correct annotation errors, progressively purifying the dataset; and (3) Error-Driven Data Expansion (EDDE) generates new, challenging samples based on identified failures. This closed-loop process operates within a cost-effective, open-source ecosystem, eliminating dependence on expensive closed-source APIs. Experiments show that our 8B model trained with LoopTool significantly surpasses its 32B data generator and achieves new state-of-the-art results on the BFCL-v3 and ACEBench benchmarks for its scale. Our work demonstrates that closed-loop, self-refining data pipelines can dramatically enhance the tool-use capabilities of LLMs.

Despite the impressive performance of LLMs, their widespread adoption faces challenges due to substantial computational and memory requirements during inference. Recent advancements in model compression and system-level optimization methods aim to enhance LLM inference. This survey offers an overview of these methods, emphasizing recent developments. Through experiments on LLaMA(/2)-7B, we evaluate various compression techniques, providing practical insights for efficient LLM deployment in a unified setting. The empirical analysis on LLaMA(/2)-7B highlights the effectiveness of these methods. Drawing from survey insights, we identify current limitations and discuss potential future directions to improve LLM inference efficiency. We release the codebase to reproduce the results presented in this paper at https://github.com/nyunAI/Faster-LLM-Survey

Since the introduction of the Model Context Protocol (MCP), the number of available tools for Large Language Models (LLMs) has increased significantly. These task-specific tool sets offer an alternative to general-purpose tools such as web browsers, while being easier to develop and maintain than GUIs. However, current general-purpose agents predominantly rely on web browsers for interacting with the environment. Here, we introduce TheMCPCompany, a benchmark for evaluating tool-calling agents on tasks that involve interacting with various real-world services. We use the REST APIs of these services to create MCP servers, which include over 18,000 tools. We also provide manually annotated ground-truth tools for each task. In our experiments, we use the ground truth tools to show the potential of tool-calling agents for both improving performance and reducing costs assuming perfect tool retrieval. Next, we explore agent performance using tool retrieval to study the real-world practicality of tool-based agents. While all models with tool retrieval perform similarly or better than browser-based agents, smaller models cannot take full advantage of the available tools through retrieval. On the other hand, GPT-5's performance with tool retrieval is very close to its performance with ground-truth tools. Overall, our work shows that the most advanced reasoning models are effective at discovering tools in simpler environments, but seriously struggle with navigating complex enterprise environments. TheMCPCompany reveals that navigating tens of thousands of tools and combining them in non-trivial ways to solve complex problems is still a challenging task for current models and requires both better reasoning and better retrieval models.

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.

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

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

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

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

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

Sparse models, including sparse Mixture-of-Experts (MoE) models, have emerged as an effective approach for scaling Transformer models. However, they often suffer from computational inefficiency since a significant number of parameters are unnecessarily involved in computations via multiplying values by zero or low activation values. To address this issue, we present \tool, a novel MoE designed to enhance both the efficacy and efficiency of sparse MoE models. \tool leverages small experts and a threshold-based router to enable tokens to selectively engage only essential parameters. Our extensive experiments on language modeling and machine translation tasks demonstrate that \tool can enhance model performance while decreasing the computation load at MoE layers by over 50\% without sacrificing performance. Furthermore, we present the versatility of \tool by applying it to dense models, enabling sparse computation during inference. We provide a comprehensive analysis and make our code available at https://anonymous.4open.science/r/XMoE.

Model compression methods can reduce model complexity on the premise of maintaining acceptable performance, and thus promote the application of deep neural networks under resource constrained environments. Despite their great success, the selection of suitable compression methods and design of details of the compression scheme are difficult, requiring lots of domain knowledge as support, which is not friendly to non-expert users. To make more users easily access to the model compression scheme that best meet their needs, in this paper, we propose AutoMC, an effective automatic tool for model compression. AutoMC builds the domain knowledge on model compression to deeply understand the characteristics and advantages of each compression method under different settings. In addition, it presents a progressive search strategy to efficiently explore pareto optimal compression scheme according to the learned prior knowledge combined with the historical evaluation information. Extensive experimental results show that AutoMC can provide satisfying compression schemes within short time, demonstrating the effectiveness of AutoMC.

Large language models (LLMs) have demonstrated exceptional reasoning capabilities, enabling them to solve various complex problems. Recently, this ability has been applied to the paradigm of tool learning. Tool learning involves providing examples of tool usage and their corresponding functions, allowing LLMs to formulate plans and demonstrate the process of invoking and executing each tool. LLMs can address tasks that they cannot complete independently, thereby enhancing their potential across different tasks. However, this approach faces two key challenges. First, redundant error correction leads to unstable planning and long execution time. Additionally, designing a correct plan among multiple tools is also a challenge in tool learning. To address these issues, we propose Tool-Planner, a task-processing framework based on toolkits. Tool-Planner groups tools based on the API functions with the same function into a toolkit and allows LLMs to implement planning across the various toolkits. When a tool error occurs, the language model can reselect and adjust tools based on the toolkit. Experiments show that our approach demonstrates a high pass and win rate across different datasets and optimizes the planning scheme for tool learning in models such as GPT-4 and Claude 3, showcasing the potential of our method.

Methods for neural network hyperparameter optimization and meta-modeling are computationally expensive due to the need to train a large number of model configurations. In this paper, we show that standard frequentist regression models can predict the final performance of partially trained model configurations using features based on network architectures, hyperparameters, and time-series validation performance data. We empirically show that our performance prediction models are much more effective than prominent Bayesian counterparts, are simpler to implement, and are faster to train. Our models can predict final performance in both visual classification and language modeling domains, are effective for predicting performance of drastically varying model architectures, and can even generalize between model classes. Using these prediction models, we also propose an early stopping method for hyperparameter optimization and meta-modeling, which obtains a speedup of a factor up to 6x in both hyperparameter optimization and meta-modeling. Finally, we empirically show that our early stopping method can be seamlessly incorporated into both reinforcement learning-based architecture selection algorithms and bandit based search methods. Through extensive experimentation, we empirically show our performance prediction models and early stopping algorithm are state-of-the-art in terms of prediction accuracy and speedup achieved while still identifying the optimal model configurations.

Deep learning approaches have provided state-of-the-art performance in many applications by relying on large and overparameterized neural networks. However, such networks have been shown to be very brittle and are difficult to deploy on resource-limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to a more robust and compact model. Many heuristics exist for model pruning, but empirical studies show that some heuristics improve performance whereas others can make models more brittle or have other side effects. This work aims to shed light on how different pruning methods alter the network's internal feature representation and the corresponding impact on model performance. To facilitate a comprehensive comparison and characterization of the high-dimensional model feature space, we introduce a visual geometric analysis of feature representations. We decomposed and evaluated a set of critical geometric concepts from the common adopted classification loss, and used them to design a visualization system to compare and highlight the impact of pruning on model performance and feature representation. The proposed tool provides an environment for in-depth comparison of pruning methods and a comprehensive understanding of how model response to common data corruption. By leveraging the proposed visualization, machine learning researchers can reveal the similarities between pruning methods and redundant in robustness evaluation benchmarks, obtain geometric insights about the differences between pruned models that achieve superior robustness performance, and identify samples that are robust or fragile to model pruning and common data corruption to model pruning and data corruption but also obtain insights and explanations on how some pruned models achieve superior robustness performance.

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.

Reward modeling (a.k.a., preference modeling) is instrumental for aligning large language models with human preferences, particularly within the context of reinforcement learning from human feedback (RLHF). While conventional reward models (RMs) have exhibited remarkable scalability, they oft struggle with fundamental functionality such as arithmetic computation, code execution, and factual lookup. In this paper, we propose a tool-augmented preference modeling approach, named Themis, to address these limitations by empowering RMs with access to external environments, including calculators and search engines. This approach not only fosters synergy between tool utilization and reward grading but also enhances interpretive capacity and scoring reliability. Our study delves into the integration of external tools into RMs, enabling them to interact with diverse external sources and construct task-specific tool engagement and reasoning traces in an autoregressive manner. We validate our approach across a wide range of domains, incorporating seven distinct external tools. Our experimental results demonstrate a noteworthy overall improvement of 17.7% across eight tasks in preference ranking. Furthermore, our approach outperforms Gopher 280B by 7.3% on TruthfulQA task in zero-shot evaluation. In human evaluations, RLHF trained with Themis attains an average win rate of 32% when compared to baselines across four distinct tasks. Additionally, we provide a comprehensive collection of tool-related RM datasets, incorporating data from seven distinct tool APIs, totaling 15,000 instances. We have made the code, data, and model checkpoints publicly available to facilitate and inspire further research advancements\url{https://github.com/ernie-research/Tool-Augmented-Reward-Model}.

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems. We provide code, data, an interactive leaderboard, and other resources at https://github.com/Lyleregenwetter/BikeBench.

Language models (LMs) exhibit remarkable abilities to solve new tasks from just a few examples or textual instructions, especially at scale. They also, paradoxically, struggle with basic functionality, such as arithmetic or factual lookup, where much simpler and smaller models excel. In this paper, we show that LMs can teach themselves to use external tools via simple APIs and achieve the best of both worlds. We introduce Toolformer, a model trained to decide which APIs to call, when to call them, what arguments to pass, and how to best incorporate the results into future token prediction. This is done in a self-supervised way, requiring nothing more than a handful of demonstrations for each API. We incorporate a range of tools, including a calculator, a Q\&A system, two different search engines, a translation system, and a calendar. Toolformer achieves substantially improved zero-shot performance across a variety of downstream tasks, often competitive with much larger models, without sacrificing its core language modeling abilities.

We propose a novel and flexible roof modeling approach that can be used for constructing planar 3D polygon roof meshes. Our method uses a graph structure to encode roof topology and enforces the roof validity by optimizing a simple but effective planarity metric we propose. This approach is significantly more efficient than using general purpose 3D modeling tools such as 3ds Max or SketchUp, and more powerful and expressive than specialized tools such as the straight skeleton. Our optimization-based formulation is also flexible and can accommodate different styles and user preferences for roof modeling. We showcase two applications. The first application is an interactive roof editing framework that can be used for roof design or roof reconstruction from aerial images. We highlight the efficiency and generality of our approach by constructing a mesh-image paired dataset consisting of 2539 roofs. Our second application is a generative model to synthesize new roof meshes from scratch. We use our novel dataset to combine machine learning and our roof optimization techniques, by using transformers and graph convolutional networks to model roof topology, and our roof optimization methods to enforce the planarity constraint.

Tools are essential for large language models (LLMs) to acquire up-to-date information and take consequential actions in external environments. Existing work on tool-augmented LLMs primarily focuses on the broad coverage of tools and the flexibility of adding new tools. However, a critical aspect that has surprisingly been understudied is simply how accurately an LLM uses tools for which it has been trained. We find that existing LLMs, including GPT-4 and open-source LLMs specifically fine-tuned for tool use, only reach a correctness rate in the range of 30% to 60%, far from reliable use in practice. We propose a biologically inspired method for tool-augmented LLMs, simulated trial and error (STE), that orchestrates three key mechanisms for successful tool use behaviors in the biological system: trial and error, imagination, and memory. Specifically, STE leverages an LLM's 'imagination' to simulate plausible scenarios for using a tool, after which the LLM interacts with the tool to learn from its execution feedback. Both short-term and long-term memory are employed to improve the depth and breadth of the exploration, respectively. Comprehensive experiments on ToolBench show that STE substantially improves tool learning for LLMs under both in-context learning and fine-tuning settings, bringing a boost of 46.7% to Mistral-Instruct-7B and enabling it to outperform GPT-4. We also show effective continual learning of tools via a simple experience replay strategy.

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on prompt design or fine-tuning strategies applied to vanilla LLMs, which often leads to limited effectiveness or suboptimal performance in complex agent-related environments. Although LLM optimization techniques can improve model performance across many general tasks, they lack specialized optimization towards critical agent functionalities such as long-term planning, dynamic environmental interaction, and complex decision-making. Although numerous recent studies have explored various strategies to optimize LLM-based agents for complex agent tasks, a systematic review summarizing and comparing these methods from a holistic perspective is still lacking. In this survey, we provide a comprehensive review of LLM-based agent optimization approaches, categorizing them into parameter-driven and parameter-free methods. We first focus on parameter-driven optimization, covering fine-tuning-based optimization, reinforcement learning-based optimization, and hybrid strategies, analyzing key aspects such as trajectory data construction, fine-tuning techniques, reward function design, and optimization algorithms. Additionally, we briefly discuss parameter-free strategies that optimize agent behavior through prompt engineering and external knowledge retrieval. Finally, we summarize the datasets and benchmarks used for evaluation and tuning, review key applications of LLM-based agents, and discuss major challenges and promising future directions. Our repository for related references is available at https://github.com/YoungDubbyDu/LLM-Agent-Optimization.

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

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

Large language models (LLMs) underpin applications in code generation, mathematical reasoning, and agent-based workflows. In practice, systems access LLMs via commercial APIs or open-source deployments, and the model landscape (e.g., GPT, Claude, Llama) evolves rapidly. This rapid evolution forces frequent model switches driven by capability, cost, deployment constraints, and privacy. Yet prompts are highly model-sensitive: reusing a prompt engineered for one model on another often yields substantially worse performance than a prompt optimized for the target model. We term this phenomenon Model Drifting. Through extensive empirical analysis across diverse LLM configurations, we show that model drifting is both common and severe. To address this challenge, we introduce PromptBridge, a training-free framework that preserves prompt effectiveness under model switches, enabling cross-model prompt transfer without costly per-task or per-model re-optimization. PromptBridge requires only a small set of alignment tasks for calibration. It first applies Model-Adaptive Reflective Prompt Evolution (MAP-RPE) to obtain task- and model-specific optimal prompts via iterative reflective refinement and quantitative evaluation. Using the resulting calibrated prompt pairs for the source and target models, PromptBridge learns a cross-model prompt mapping. At test time, i.e., for an unseen task, given a source-model prompt, this mapping directly produces an optimized prompt for the target model. Experiments in single-agent and multi-agent settings show that PromptBridge consistently improves downstream accuracy while reducing migration effort. The code will be available soon.

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and proposes a novel framework for differentiable model selection integrating machine learning and combinatorial optimization. The framework is tailored for ensemble learning, a strategy that combines the outputs of individually pre-trained models, and learns to select appropriate ensemble members for a particular input sample by transforming the ensemble learning task into a differentiable selection program trained end-to-end within the ensemble learning model. Tested on various tasks, the proposed framework demonstrates its versatility and effectiveness, outperforming conventional and advanced consensus rules across a variety of settings and learning tasks.