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Dec 12

MedS^3: Towards Medical Small Language Models with Self-Evolved Slow Thinking

Medical language models (MLMs) have become pivotal in advancing medical natural language processing. However, prior models that rely on pre-training or supervised fine-tuning often exhibit low data efficiency and limited practicality in real-world clinical applications. While OpenAIs O1 highlights test-time scaling in mathematics, attempts to replicate this approach in medicine typically distill responses from GPT-series models to open-source models, focusing primarily on multiple-choice tasks. This strategy, though straightforward, neglects critical concerns like data privacy and realistic deployment in clinical settings. In this work, we present a deployable, small-scale medical language model, \mone, designed for long-chain reasoning in clinical tasks using a self-evolution paradigm. Starting with a seed dataset of around 8,000 instances spanning five domains and 16 datasets, we prompt a base policy model to perform Monte Carlo Tree Search (MCTS) to construct verifiable reasoning chains. Each reasoning step is assigned an evolution rollout value, allowing verified trajectories to train the policy model and the reward model. During inference, the policy model generates multiple responses, and the reward model selects the one with the highest reward score. Experiments on eleven evaluation datasets demonstrate that \mone outperforms prior open-source models by 2 points, with the addition of the reward model further boosting performance (sim13 points), surpassing GPT-4o-mini. Code and data are available at https://github.com/pixas/MedSSS.

  • 6 authors
·
Jan 21

Improving Autonomous AI Agents with Reflective Tree Search and Self-Learning

Autonomous agents have demonstrated significant potential in automating complex multistep decision-making tasks. However, even state-of-the-art vision-language models (VLMs), such as GPT-4o, still fall short of human-level performance, particularly in intricate web environments and long-horizon planning tasks. To address these limitations, we introduce Reflective Monte Carlo Tree Search (R-MCTS), a novel test-time algorithm designed to enhance the ability of AI agents, e.g., powered by GPT-4o, to explore decision space on the fly. R-MCTS extends traditional MCTS by 1) incorporating contrastive reflection, allowing agents to learn from past interactions and dynamically improve their search efficiency; and 2) using multi-agent debate to provide reliable state evaluation. Moreover, we improve the agent's performance by fine-tuning GPT-4o through self-learning, using R-MCTS generated tree traversals without any human-provided labels. On the challenging VisualWebArena benchmark, our GPT-4o-based R-MCTS agent achieves a 6% to 30% relative improvement across various tasks compared to the previous state-of-the-art. Additionally, we show that the knowledge gained from test-time search can be effectively transferred back to GPT-4o via fine-tuning. The fine-tuned GPT-4o matches 97% of R-MCTS's performance while reducing compute usage by a factor of four at test time. Furthermore, qualitative results reveal that the fine-tuned GPT-4o model demonstrates the ability to explore the environment, evaluate a state, and backtrack to viable ones when it detects that the current state cannot lead to success. Moreover, our work demonstrates the compute scaling properties in both training - data collection with R-MCTS - and testing time. These results suggest a promising research direction to enhance VLMs' reasoning and planning capabilities for agentic applications via test-time search and self-learning.

  • 7 authors
·
Oct 2, 2024 2

MASTER: A Multi-Agent System with LLM Specialized MCTS

Large Language Models (LLM) are increasingly being explored for problem-solving tasks. However, their strategic planning capability is often viewed with skepticism. Recent studies have incorporated the Monte Carlo Tree Search (MCTS) algorithm to augment the planning capacity of LLM. Despite its potential, MCTS relies on extensive sampling simulations to approximate the true reward distribution, which leads to two primary issues. Firstly, MCTS is effective for tasks like the Game of Go, where simulation results can yield objective rewards (e.g., 1 for a win and 0 for a loss). However, for tasks such as question answering, the result of a simulation is the answer to the question, which cannot yield an objective reward without the ground truth. Secondly, obtaining statistically significant reward estimations typically requires a sample size exceeding 30 simulations, resulting in excessive token usage and time consumption. To address these challenges, we present the Multi-Agent System with Tactical Execution and Reasoning using LLM Specialized MCTS (MASTER), a novel framework that coordinates agent recruitment and communication through LLM specialized MCTS. This system autonomously adjusts the number of agents based on task complexity and ensures focused communication among them. Comprehensive experiments across various tasks demonstrate the effectiveness of our proposed framework. It achieves 76% accuracy on HotpotQA and 80% on WebShop, setting new state-of-the-art performance on these datasets.

  • 8 authors
·
Jan 24 2

Pseudo-Simulation for Autonomous Driving

Existing evaluation paradigms for Autonomous Vehicles (AVs) face critical limitations. Real-world evaluation is often challenging due to safety concerns and a lack of reproducibility, whereas closed-loop simulation can face insufficient realism or high computational costs. Open-loop evaluation, while being efficient and data-driven, relies on metrics that generally overlook compounding errors. In this paper, we propose pseudo-simulation, a novel paradigm that addresses these limitations. Pseudo-simulation operates on real datasets, similar to open-loop evaluation, but augments them with synthetic observations generated prior to evaluation using 3D Gaussian Splatting. Our key idea is to approximate potential future states the AV might encounter by generating a diverse set of observations that vary in position, heading, and speed. Our method then assigns a higher importance to synthetic observations that best match the AV's likely behavior using a novel proximity-based weighting scheme. This enables evaluating error recovery and the mitigation of causal confusion, as in closed-loop benchmarks, without requiring sequential interactive simulation. We show that pseudo-simulation is better correlated with closed-loop simulations (R^2=0.8) than the best existing open-loop approach (R^2=0.7). We also establish a public leaderboard for the community to benchmark new methodologies with pseudo-simulation. Our code is available at https://github.com/autonomousvision/navsim.

  • 14 authors
·
Jun 4

I-MCTS: Enhancing Agentic AutoML via Introspective Monte Carlo Tree Search

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 6% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS

  • 6 authors
·
Feb 20

SoTA with Less: MCTS-Guided Sample Selection for Data-Efficient Visual Reasoning Self-Improvement

In this paper, we present an effective method to enhance visual reasoning with significantly fewer training samples, relying purely on self-improvement with no knowledge distillation. Our key insight is that the difficulty of training data during reinforcement fine-tuning (RFT) is critical. Appropriately challenging samples can substantially boost reasoning capabilities even when the dataset is small. Despite being intuitive, the main challenge remains in accurately quantifying sample difficulty to enable effective data filtering. To this end, we propose a novel way of repurposing Monte Carlo Tree Search (MCTS) to achieve that. Starting from our curated 70k open-source training samples, we introduce an MCTS-based selection method that quantifies sample difficulty based on the number of iterations required by the VLMs to solve each problem. This explicit step-by-step reasoning in MCTS enforces the model to think longer and better identifies samples that are genuinely challenging. We filter and retain 11k samples to perform RFT on Qwen2.5-VL-7B-Instruct, resulting in our final model, ThinkLite-VL. Evaluation results on eight benchmarks show that ThinkLite-VL improves the average performance of Qwen2.5-VL-7B-Instruct by 7%, using only 11k training samples with no knowledge distillation. This significantly outperforms all existing 7B-level reasoning VLMs, and our fairly comparable baselines that use classic selection methods such as accuracy-based filtering. Notably, on MathVista, ThinkLite-VL-7B achieves the SoTA accuracy of 75.1, surpassing Qwen2.5-VL-72B, GPT-4o, and O1. Our code, data, and model are available at https://github.com/si0wang/ThinkLite-VL.

  • 9 authors
·
Apr 10 2

PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

  • 3 authors
·
Dec 23, 2024 2

SRA-MCTS: Self-driven Reasoning Augmentation with Monte Carlo Tree Search for Code Generation

Large language models demonstrate exceptional performance in simple code generation tasks but still face challenges in tackling complex problems. These challenges may stem from insufficient reasoning and problem decomposition capabilities. To address this issue, we propose a reasoning-augmented data generation process, SRA-MCTS, which guides the model to autonomously generate high-quality intermediate reasoning paths. This creates a positive feedback loop, enabling continuous improvement. Our method operates entirely through the model itself without requiring additional supervision. By synthesizing natural language reasoning paths and translating them into executable code, the approach ensures analytical accuracy and enhances the success rate in solving complex tasks. Experimental results show that, even without additional supervisory signals, our method achieves performance improvements across different model scales, demonstrating the significant potential of self-improvement in small models. Furthermore, the method remains robust when traditional Chain-of-Thought (CoT) approaches exhibit performance degradation, with notable improvements observed in diversity metrics such as pass@10. We encourage further exploration of reasoning processes within training data to enhance the ability of language models to address complex problems. Our code and data are public at https://github.com/DIRECT-BIT/SRA-MCTS.

  • 4 authors
·
Nov 17, 2024

OpenREAD: Reinforced Open-Ended Reasoing for End-to-End Autonomous Driving with LLM-as-Critic

Recently, two-stage fine-tuning strategies, e.g., acquiring essential driving knowledge through supervised fine-tuning (SFT) and further enhancing decision-making and planning via reinforcement fine-tuning (RFT), have shown strong potential in advancing the knowledge-driven autonomous driving (AD) paradigm. However, the learning nature of SFT still limits the generalization of reasoning, thereby constraining the full potential of driving performance. Meanwhile, current RFT approaches are primarily applied to downstream tasks, since scene understanding is an open-ended problem where corresponding rewards are difficult to quantify. To address these limitations, we propose OpenREAD, an OPEN-ended REasoning reinforced vision-language model (VLM)-based autonomous driving (AD) framework that enables end-to-end RFT across the full spectrum from high-level reasoning to low-level trajectory planning. Specifically, we begin by constructing large-scale Chain-of-Thought (CoT) annotations on open-source driving-related knowledge datasets, and employ the powerful Qwen3 large language model (LLM) as the critic in RFT to quantify reasoning quality for open-ended questions during reward modeling. Extensive experiments confirm that joint end-to-end RFT yields substantial improvements in both upstream and downstream tasks, enabling OpenREAD to achieve state-of-the-art performance on reasoning and planning benchmarks.

An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar, which produce intermittent power, storage is needed to transfer power from times of peak generation to peak demand. This may require the storage of power for hours, days, or months. One solution that offers the potential of scaling to nation-sized grids is the conversion of renewable energy to other fuels, such as hydrogen or methane. To be widely adopted, this process requires cost-effective solutions to running electrochemical reactions. An open challenge is finding low-cost electrocatalysts to drive these reactions at high rates. Through the use of quantum mechanical simulations (density functional theory), new catalyst structures can be tested and evaluated. Unfortunately, the high computational cost of these simulations limits the number of structures that may be tested. The use of machine learning may provide a method to efficiently approximate these calculations, leading to new approaches in finding effective electrocatalysts. In this paper, we provide an introduction to the challenges in finding suitable electrocatalysts, how machine learning may be applied to the problem, and the use of the Open Catalyst Project OC20 dataset for model training.

  • 17 authors
·
Oct 14, 2020

Require Process Control? LSTMc is all you need!

Over the past three decades, numerous controllers have been developed to regulate complex chemical processes, but they have certain limitations. Traditional PI/PID controllers often require customized tuning for various set-point scenarios. On the other hand, MPC frameworks involve resource-intensive steps, and the utilization of black-box machine learning (ML) models can lead to issues such as local minima and infeasibility. Thus, there is a need for an alternative controller paradigm that combines the simplicity of a PI controller with the grade-to-grade (G2G) transferability of an MPC approach. To this end, we developed a novel LSTM controller (LSTMc) as a model-free data-driven controller framework. The LSTMc considers an augmented input tensor that incorporates information on state evolution and error dynamics for the current and previous W time steps, to predict the manipulated input at the next step (u_{t+1}). To demonstrate LSTMc, batch crystallization of dextrose was taken as a representative case study. The desired output for set-point tracking was the mean crystal size (L), with the manipulated input being the jacket temperature (T_j). Extensive training data, encompassing 7000+ different operating conditions, was compiled to ensure comprehensive training of LSTMc across a wide state space region. For comparison, we also designed a PI controller and an LSTM-MPC for different set-point tracking cases. The results consistently showed that LSTMc achieved the lowest set-point deviation (<2\%), three times lower than the MPC. Remarkably, LSTMc maintained this superior performance across all set points, even when sensor measurements contained noise levels of 10\% to 15\%. In summary, by effectively leveraging process data and utilizing sequential ML models, LSTMc offers a superior controller design approach.

  • 2 authors
·
Jun 12, 2023

LoopTool: Closing the Data-Training Loop for Robust LLM Tool Calls

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.

ReST-MCTS*: LLM Self-Training via Process Reward Guided Tree Search

Recent methodologies in LLM self-training mostly rely on LLM generating responses and filtering those with correct output answers as training data. This approach often yields a low-quality fine-tuning training set (e.g., incorrect plans or intermediate reasoning). In this paper, we develop a reinforced self-training approach, called ReST-MCTS*, based on integrating process reward guidance with tree search MCTS* for collecting higher-quality reasoning traces as well as per-step value to train policy and reward models. ReST-MCTS* circumvents the per-step manual annotation typically used to train process rewards by tree-search-based reinforcement learning: Given oracle final correct answers, ReST-MCTS* is able to infer the correct process rewards by estimating the probability this step can help lead to the correct answer. These inferred rewards serve dual purposes: they act as value targets for further refining the process reward model and also facilitate the selection of high-quality traces for policy model self-training. We first show that the tree-search policy in ReST-MCTS* achieves higher accuracy compared with prior LLM reasoning baselines such as Best-of-N and Tree-of-Thought, within the same search budget. We then show that by using traces searched by this tree-search policy as training data, we can continuously enhance the three language models for multiple iterations, and outperform other self-training algorithms such as ReST^EM and Self-Rewarding LM.

  • 5 authors
·
Jun 6, 2024

Paired Open-Ended Trailblazer (POET): Endlessly Generating Increasingly Complex and Diverse Learning Environments and Their Solutions

While the history of machine learning so far largely encompasses a series of problems posed by researchers and algorithms that learn their solutions, an important question is whether the problems themselves can be generated by the algorithm at the same time as they are being solved. Such a process would in effect build its own diverse and expanding curricula, and the solutions to problems at various stages would become stepping stones towards solving even more challenging problems later in the process. The Paired Open-Ended Trailblazer (POET) algorithm introduced in this paper does just that: it pairs the generation of environmental challenges and the optimization of agents to solve those challenges. It simultaneously explores many different paths through the space of possible problems and solutions and, critically, allows these stepping-stone solutions to transfer between problems if better, catalyzing innovation. The term open-ended signifies the intriguing potential for algorithms like POET to continue to create novel and increasingly complex capabilities without bound. Our results show that POET produces a diverse range of sophisticated behaviors that solve a wide range of environmental challenges, many of which cannot be solved by direct optimization alone, or even through a direct-path curriculum-building control algorithm introduced to highlight the critical role of open-endedness in solving ambitious challenges. The ability to transfer solutions from one environment to another proves essential to unlocking the full potential of the system as a whole, demonstrating the unpredictable nature of fortuitous stepping stones. We hope that POET will inspire a new push towards open-ended discovery across many domains, where algorithms like POET can blaze a trail through their interesting possible manifestations and solutions.

  • 4 authors
·
Jan 7, 2019

Hydra-NeXt: Robust Closed-Loop Driving with Open-Loop Training

End-to-end autonomous driving research currently faces a critical challenge in bridging the gap between open-loop training and closed-loop deployment. Current approaches are trained to predict trajectories in an open-loop environment, which struggle with quick reactions to other agents in closed-loop environments and risk generating kinematically infeasible plans due to the gap between open-loop training and closed-loop driving. In this paper, we introduce Hydra-NeXt, a novel multi-branch planning framework that unifies trajectory prediction, control prediction, and a trajectory refinement network in one model. Unlike current open-loop trajectory prediction models that only handle general-case planning, Hydra-NeXt further utilizes a control decoder to focus on short-term actions, which enables faster responses to dynamic situations and reactive agents. Moreover, we propose the Trajectory Refinement module to augment and refine the planning decisions by effectively adhering to kinematic constraints in closed-loop environments. This unified approach bridges the gap between open-loop training and closed-loop driving, demonstrating superior performance of 65.89 Driving Score (DS) and 48.20% Success Rate (SR) on the Bench2Drive dataset without relying on external experts for data collection. Hydra-NeXt surpasses the previous state-of-the-art by 22.98 DS and 17.49 SR, marking a significant advancement in autonomous driving. Code will be available at https://github.com/woxihuanjiangguo/Hydra-NeXt.

  • 6 authors
·
Mar 15

WebPilot: A Versatile and Autonomous Multi-Agent System for Web Task Execution with Strategic Exploration

LLM-based autonomous agents often fail to execute complex web tasks that require dynamic interaction due to the inherent uncertainty and complexity of these environments. Existing LLM-based web agents typically rely on rigid, expert-designed policies specific to certain states and actions, which lack the flexibility and generalizability needed to adapt to unseen tasks. In contrast, humans excel by exploring unknowns, continuously adapting strategies, and resolving ambiguities through exploration. To emulate human-like adaptability, web agents need strategic exploration and complex decision-making. Monte Carlo Tree Search (MCTS) is well-suited for this, but classical MCTS struggles with vast action spaces, unpredictable state transitions, and incomplete information in web tasks. In light of this, we develop WebPilot, a multi-agent system with a dual optimization strategy that improves MCTS to better handle complex web environments. Specifically, the Global Optimization phase involves generating a high-level plan by breaking down tasks into manageable subtasks and continuously refining this plan, thereby focusing the search process and mitigating the challenges posed by vast action spaces in classical MCTS. Subsequently, the Local Optimization phase executes each subtask using a tailored MCTS designed for complex environments, effectively addressing uncertainties and managing incomplete information. Experimental results on WebArena and MiniWoB++ demonstrate the effectiveness of WebPilot. Notably, on WebArena, WebPilot achieves SOTA performance with GPT-4, achieving a 93% relative increase in success rate over the concurrent tree search-based method. WebPilot marks a significant advancement in general autonomous agent capabilities, paving the way for more advanced and reliable decision-making in practical environments.

  • 6 authors
·
Aug 28, 2024

URSA: Understanding and Verifying Chain-of-thought Reasoning in Multimodal Mathematics

Chain-of-thought (CoT) reasoning has been widely applied in the mathematical reasoning of Large Language Models (LLMs). Recently, the introduction of derivative process supervision on CoT trajectories has sparked discussions on enhancing scaling capabilities during test time, thereby boosting the potential of these models. However, in multimodal mathematical reasoning, the scarcity of high-quality CoT training data has hindered existing models from achieving high-precision CoT reasoning and has limited the realization of reasoning potential during test time. In this work, we propose a three-module synthesis strategy that integrates CoT distillation, trajectory-format rewriting, and format unification. It results in a high-quality CoT reasoning instruction fine-tuning dataset in multimodal mathematics, MMathCoT-1M. We comprehensively validate the state-of-the-art (SOTA) performance of the trained URSA-7B model on multiple multimodal mathematical benchmarks. For test-time scaling, we introduce a data synthesis strategy that automatically generates process annotation datasets, known as DualMath-1.1M, focusing on both interpretation and logic. By further training URSA-7B on DualMath-1.1M, we transition from CoT reasoning capabilities to robust supervision abilities. The trained URSA-RM-7B acts as a verifier, effectively enhancing the performance of URSA-7B at test time. URSA-RM-7B also demonstrates excellent out-of-distribution (OOD) verifying capabilities, showcasing its generalization. Model weights, training data and code will be open-sourced.

  • 8 authors
·
Jan 8 3

Improve Mathematical Reasoning in Language Models by Automated Process Supervision

Complex multi-step reasoning tasks, such as solving mathematical problems or generating code, remain a significant hurdle for even the most advanced large language models (LLMs). Verifying LLM outputs with an Outcome Reward Model (ORM) is a standard inference-time technique aimed at enhancing the reasoning performance of LLMs. However, this still proves insufficient for reasoning tasks with a lengthy or multi-hop reasoning chain, where the intermediate outcomes are neither properly rewarded nor penalized. Process supervision addresses this limitation by assigning intermediate rewards during the reasoning process. To date, the methods used to collect process supervision data have relied on either human annotation or per-step Monte Carlo estimation, both prohibitively expensive to scale, thus hindering the broad application of this technique. In response to this challenge, we propose a novel divide-and-conquer style Monte Carlo Tree Search (MCTS) algorithm named OmegaPRM for the efficient collection of high-quality process supervision data. This algorithm swiftly identifies the first error in the Chain of Thought (CoT) with binary search and balances the positive and negative examples, thereby ensuring both efficiency and quality. As a result, we are able to collect over 1.5 million process supervision annotations to train a Process Reward Model (PRM). Utilizing this fully automated process supervision alongside the weighted self-consistency algorithm, we have enhanced the instruction tuned Gemini Pro model's math reasoning performance, achieving a 69.4\% success rate on the MATH benchmark, a 36\% relative improvement from the 51\% base model performance. Additionally, the entire process operates without any human intervention, making our method both financially and computationally cost-effective compared to existing methods.

  • 11 authors
·
Jun 5, 2024

MCTSr-Zero: Self-Reflective Psychological Counseling Dialogues Generation via Principles and Adaptive Exploration

The integration of Monte Carlo Tree Search (MCTS) with Large Language Models (LLMs) has demonstrated significant success in structured, problem-oriented tasks. However, applying these methods to open-ended dialogues, such as those in psychological counseling, presents unique challenges. Unlike tasks with objective correctness, success in therapeutic conversations depends on subjective factors like empathetic engagement, ethical adherence, and alignment with human preferences, for which strict "correctness" criteria are ill-defined. Existing result-oriented MCTS approaches can therefore produce misaligned responses. To address this, we introduce MCTSr-Zero, an MCTS framework designed for open-ended, human-centric dialogues. Its core innovation is "domain alignment", which shifts the MCTS search objective from predefined end-states towards conversational trajectories that conform to target domain principles (e.g., empathy in counseling). Furthermore, MCTSr-Zero incorporates "Regeneration" and "Meta-Prompt Adaptation" mechanisms to substantially broaden exploration by allowing the MCTS to consider fundamentally different initial dialogue strategies. We evaluate MCTSr-Zero in psychological counseling by generating multi-turn dialogue data, which is used to fine-tune an LLM, PsyLLM. We also introduce PsyEval, a benchmark for assessing multi-turn psychological counseling dialogues. Experiments demonstrate that PsyLLM achieves state-of-the-art performance on PsyEval and other relevant metrics, validating MCTSr-Zero's effectiveness in generating high-quality, principle-aligned conversational data for human-centric domains and addressing the LLM challenge of consistently adhering to complex psychological standards.

  • 6 authors
·
May 29

Rethinking the "Heatmap + Monte Carlo Tree Search" Paradigm for Solving Large Scale TSP

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

  • 5 authors
·
Nov 14, 2024

Navigating the Alpha Jungle: An LLM-Powered MCTS Framework for Formulaic Factor Mining

Alpha factor mining is pivotal in quantitative investment for identifying predictive signals from complex financial data. While traditional formulaic alpha mining relies on human expertise, contemporary automated methods, such as those based on genetic programming or reinforcement learning, often struggle with search inefficiency or yield alpha factors that are difficult to interpret. This paper introduces a novel framework that integrates Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS) to overcome these limitations. Our framework leverages the LLM's instruction-following and reasoning capability to iteratively generate and refine symbolic alpha formulas within an MCTS-driven exploration. A key innovation is the guidance of MCTS exploration by rich, quantitative feedback from financial backtesting of each candidate factor, enabling efficient navigation of the vast search space. Furthermore, a frequent subtree avoidance mechanism is introduced to enhance search diversity and prevent formulaic homogenization, further improving performance. Experimental results on real-world stock market data demonstrate that our LLM-based framework outperforms existing methods by mining alphas with superior predictive accuracy and trading performance. The resulting formulas are also more amenable to human interpretation, establishing a more effective and efficient paradigm for formulaic alpha mining.

  • 3 authors
·
May 16

FREESON: Retriever-Free Retrieval-Augmented Reasoning via Corpus-Traversing MCTS

Large Reasoning Models (LRMs) have demonstrated remarkable capabilities in multi-step reasoning and calling search engines at appropriate steps. However, existing retrieval-augmented reasoning approaches rely on separate retrieval models, limiting the LRM's role in retrieval to deciding when to retrieve and how to query. This separation not only increases hardware and operational costs but also leads to errors in the retrieval process due to the representation bottleneck, a phenomenon where the retriever's embedding space is not expressive enough to meet the generator's requirements. To address this, we shift our perspective from sequence-to-sequence matching to locating the answer-containing paths within the corpus, and propose a novel framework called FREESON (Retriever-FREE Retrieval-Augmented ReaSONing). This framework enables LRMs to retrieve relevant knowledge on their own by acting as both a generator and retriever. To achieve this, we introduce a variant of the MCTS algorithm specialized for the retrieval task, which we call CT-MCTS (Corpus-Traversing Monte Carlo Tree Search). In this algorithm, LRMs traverse through the corpus toward answer-containing regions. Our results on five open-domain QA benchmarks, including single-hop and multi-hop questions, show that FREESON achieves an average improvement of 14.4% in EM and F1 over four multi-step reasoning models with a separate retriever, and it also performs comparably to the strongest baseline, surpassing it by 3% on PopQA and 2WikiMultihopQA.

  • 2 authors
·
May 22 2

ReST-RL: Achieving Accurate Code Reasoning of LLMs with Optimized Self-Training and Decoding

With respect to improving the reasoning accuracy of LLMs, the representative reinforcement learning (RL) method GRPO faces failure due to insignificant reward variance, while verification methods based on process reward models (PRMs) suffer from difficulties with training data acquisition and verification effectiveness. To tackle these problems, this paper introduces ReST-RL, a unified LLM RL paradigm that significantly improves LLM's code reasoning ability by combining an improved GRPO algorithm with a meticulously designed test time decoding method assisted by a value model (VM). As the first stage of policy reinforcement, ReST-GRPO adopts an optimized ReST algorithm to filter and assemble high-value training data, increasing the reward variance of GRPO sampling, thus improving the effectiveness and efficiency of training. After the basic reasoning ability of LLM policy has been improved, we further propose a test time decoding optimization method called VM-MCTS. Through Monte-Carlo Tree Search (MCTS), we collect accurate value targets with no annotation required, on which VM training is based. When decoding, the VM is deployed by an adapted MCTS algorithm to provide precise process signals as well as verification scores, assisting the LLM policy to achieve high reasoning accuracy. We validate the effectiveness of the proposed RL paradigm through extensive experiments on coding problems. Upon comparison, our approach significantly outperforms other reinforcement training baselines (e.g., naive GRPO and ReST-DPO), as well as decoding and verification baselines (e.g., PRM-BoN and ORM-MCTS) on well-known coding benchmarks of various levels (e.g., APPS, BigCodeBench, and HumanEval), indicating its power to strengthen the reasoning ability of LLM policies. Codes for our project can be found at https://github.com/THUDM/ReST-RL.

  • 4 authors
·
Aug 27

RethinkMCTS: Refining Erroneous Thoughts in Monte Carlo Tree Search for Code Generation

LLM agents enhanced by tree search algorithms have yielded notable performances in code generation. However, current search algorithms in this domain suffer from low search quality due to several reasons: 1) Ineffective design of the search space for the high-reasoning demands of code generation tasks, 2) Inadequate integration of code feedback with the search algorithm, and 3) Poor handling of negative feedback during the search, leading to reduced search efficiency and quality. To address these challenges, we propose to search for the reasoning process of the code and use the detailed feedback of code execution to refine erroneous thoughts during the search. In this paper, we introduce RethinkMCTS, which employs the Monte Carlo Tree Search (MCTS) algorithm to conduct thought-level searches before generating code, thereby exploring a wider range of strategies. More importantly, we construct verbal feedback from fine-grained code execution feedback to refine erroneous thoughts during the search. This ensures that the search progresses along the correct reasoning paths, thus improving the overall search quality of the tree by leveraging execution feedback. Through extensive experiments, we demonstrate that RethinkMCTS outperforms previous search-based and feedback-based code generation baselines. On the HumanEval dataset, it improves the pass@1 of GPT-3.5-turbo from 70.12 to 89.02 and GPT-4o-mini from 87.20 to 94.51. It effectively conducts more thorough exploration through thought-level searches and enhances the search quality of the entire tree by incorporating rethink operation.

  • 8 authors
·
Sep 14, 2024

NAVSIM: Data-Driven Non-Reactive Autonomous Vehicle Simulation and Benchmarking

Benchmarking vision-based driving policies is challenging. On one hand, open-loop evaluation with real data is easy, but these results do not reflect closed-loop performance. On the other, closed-loop evaluation is possible in simulation, but is hard to scale due to its significant computational demands. Further, the simulators available today exhibit a large domain gap to real data. This has resulted in an inability to draw clear conclusions from the rapidly growing body of research on end-to-end autonomous driving. In this paper, we present NAVSIM, a middle ground between these evaluation paradigms, where we use large datasets in combination with a non-reactive simulator to enable large-scale real-world benchmarking. Specifically, we gather simulation-based metrics, such as progress and time to collision, by unrolling bird's eye view abstractions of the test scenes for a short simulation horizon. Our simulation is non-reactive, i.e., the evaluated policy and environment do not influence each other. As we demonstrate empirically, this decoupling allows open-loop metric computation while being better aligned with closed-loop evaluations than traditional displacement errors. NAVSIM enabled a new competition held at CVPR 2024, where 143 teams submitted 463 entries, resulting in several new insights. On a large set of challenging scenarios, we observe that simple methods with moderate compute requirements such as TransFuser can match recent large-scale end-to-end driving architectures such as UniAD. Our modular framework can potentially be extended with new datasets, data curation strategies, and metrics, and will be continually maintained to host future challenges. Our code is available at https://github.com/autonomousvision/navsim.

  • 12 authors
·
Jun 21, 2024 1

Progressive Multimodal Reasoning via Active Retrieval

Multi-step multimodal reasoning tasks pose significant challenges for multimodal large language models (MLLMs), and finding effective ways to enhance their performance in such scenarios remains an unresolved issue. In this paper, we propose AR-MCTS, a universal framework designed to progressively improve the reasoning capabilities of MLLMs through Active Retrieval (AR) and Monte Carlo Tree Search (MCTS). Our approach begins with the development of a unified retrieval module that retrieves key supporting insights for solving complex reasoning problems from a hybrid-modal retrieval corpus. To bridge the gap in automated multimodal reasoning verification, we employ the MCTS algorithm combined with an active retrieval mechanism, which enables the automatic generation of step-wise annotations. This strategy dynamically retrieves key insights for each reasoning step, moving beyond traditional beam search sampling to improve the diversity and reliability of the reasoning space. Additionally, we introduce a process reward model that aligns progressively to support the automatic verification of multimodal reasoning tasks. Experimental results across three complex multimodal reasoning benchmarks confirm the effectiveness of the AR-MCTS framework in enhancing the performance of various multimodal models. Further analysis demonstrates that AR-MCTS can optimize sampling diversity and accuracy, yielding reliable multimodal reasoning.

  • 6 authors
·
Dec 19, 2024 2

COS(M+O)S: Curiosity and RL-Enhanced MCTS for Exploring Story Space via Language Models

We present COS(M+O)S, a System 2-inspired framework for open-ended plot development that systematically explores the vast space of possible story expansions, enabling a 3B-parameter language model to approach the plot quality of a 70B model on select short-story tasks. The method accomplishes this by combining Monte Carlo Tree Search (MCTS), guided by a step-level value model that rewards moderate surprisal (curiosity) while penalizing incoherence, and Odds Ratio Preference Optimization (ORPO) to fine-tune the policy on high-value plot expansions. This iterative reinforcement learning loop systematically explores multiple candidate plot branches, backpropagates quality signals, and adapts the policy for faster convergence, notably shifting the policy from puzzle-based Chain-of-Thought to more character-driven storytelling. In small-scale tests with short-story prompts, 67%-77% of participants favored COS(M+O)S's highest-rated expansions over lower-rated ones, suggesting that our learned value function aligns. GPT-4o ratings further show that COS(M+O)S surpasses naive single-pass decoding from Llama 3.2 3B by 0.59 SD, coming within 0.06 SD of Llama 3.1 70B (no significant difference, p=0.93). Pairwise comparisons with o1 place COS(M+O)S 1.5 SD above the 3B baseline and find no statistically significant gap from 70B. Nevertheless, absolute story quality remains modest, constrained by the small model's capacity and limited training data.

  • 1 authors
·
Jan 28

Open RL Benchmark: Comprehensive Tracked Experiments for Reinforcement Learning

In many Reinforcement Learning (RL) papers, learning curves are useful indicators to measure the effectiveness of RL algorithms. However, the complete raw data of the learning curves are rarely available. As a result, it is usually necessary to reproduce the experiments from scratch, which can be time-consuming and error-prone. We present Open RL Benchmark, a set of fully tracked RL experiments, including not only the usual data such as episodic return, but also all algorithm-specific and system metrics. Open RL Benchmark is community-driven: anyone can download, use, and contribute to the data. At the time of writing, more than 25,000 runs have been tracked, for a cumulative duration of more than 8 years. Open RL Benchmark covers a wide range of RL libraries and reference implementations. Special care is taken to ensure that each experiment is precisely reproducible by providing not only the full parameters, but also the versions of the dependencies used to generate it. In addition, Open RL Benchmark comes with a command-line interface (CLI) for easy fetching and generating figures to present the results. In this document, we include two case studies to demonstrate the usefulness of Open RL Benchmark in practice. To the best of our knowledge, Open RL Benchmark is the first RL benchmark of its kind, and the authors hope that it will improve and facilitate the work of researchers in the field.

  • 33 authors
·
Feb 5, 2024

Monte Carlo Tree Search Boosts Reasoning via Iterative Preference Learning

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

  • 7 authors
·
May 1, 2024

RSRM: Reinforcement Symbolic Regression Machine

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge. Keen efforts in recent years have been placed on tackling this issue and demonstrated success in symbolic regression. However, there still exist bottlenecks that current methods struggle to break when the discrete search space tends toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Biding of these modules yields the state-of-the-art performance of RSRM in symbolic regression as demonstrated by multiple sets of benchmark examples. The RSRM model shows clear superiority over several representative baseline models.

  • 3 authors
·
May 23, 2023

Learning to Fly -- a Gym Environment with PyBullet Physics for Reinforcement Learning of Multi-agent Quadcopter Control

Robotic simulators are crucial for academic research and education as well as the development of safety-critical applications. Reinforcement learning environments -- simple simulations coupled with a problem specification in the form of a reward function -- are also important to standardize the development (and benchmarking) of learning algorithms. Yet, full-scale simulators typically lack portability and parallelizability. Vice versa, many reinforcement learning environments trade-off realism for high sample throughputs in toy-like problems. While public data sets have greatly benefited deep learning and computer vision, we still lack the software tools to simultaneously develop -- and fairly compare -- control theory and reinforcement learning approaches. In this paper, we propose an open-source OpenAI Gym-like environment for multiple quadcopters based on the Bullet physics engine. Its multi-agent and vision based reinforcement learning interfaces, as well as the support of realistic collisions and aerodynamic effects, make it, to the best of our knowledge, a first of its kind. We demonstrate its use through several examples, either for control (trajectory tracking with PID control, multi-robot flight with downwash, etc.) or reinforcement learning (single and multi-agent stabilization tasks), hoping to inspire future research that combines control theory and machine learning.

  • 6 authors
·
Mar 2, 2021 1

ThinkDial: An Open Recipe for Controlling Reasoning Effort in Large Language Models

Large language models (LLMs) with chain-of-thought reasoning have demonstrated remarkable problem-solving capabilities, but controlling their computational effort remains a significant challenge for practical deployment. Recent proprietary systems like OpenAI's gpt-oss series have introduced discrete operational modes for intuitive reasoning control, but the open-source community has largely failed to achieve such capabilities. In this paper, we introduce ThinkDial, the first open-recipe end-to-end framework that successfully implements gpt-oss-style controllable reasoning through discrete operational modes. Our system enables seamless switching between three distinct reasoning regimes: High mode (full reasoning capability), Medium mode (50 percent token reduction with <10 percent performance degradation), and Low mode (75 percent token reduction with <15 percent performance degradation). We achieve this through an end-to-end training paradigm that integrates budget-mode control throughout the entire pipeline: budget-mode supervised fine-tuning that embeds controllable reasoning capabilities directly into the learning process, and two-phase budget-aware reinforcement learning with adaptive reward shaping. Extensive experiments demonstrate that ThinkDial achieves target compression-performance trade-offs with clear response length reductions while maintaining performance thresholds. The framework also exhibits strong generalization capabilities on out-of-distribution tasks.

  • 5 authors
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Aug 26 3

OpenTSLM: Time-Series Language Models for Reasoning over Multivariate Medical Text- and Time-Series Data

LLMs have emerged as powerful tools for interpreting multimodal data. In medicine, they hold particular promise for synthesizing large volumes of clinical information into actionable insights and digital health applications. Yet, a major limitation remains their inability to handle time series. To overcome this gap, we present OpenTSLM, a family of Time Series Language Models (TSLMs) created by integrating time series as a native modality to pretrained LLMs, enabling reasoning over multiple time series of any length. We investigate two architectures for OpenTSLM. The first, OpenTSLM-SoftPrompt, models time series implicitly by concatenating learnable time series tokens with text tokens via soft prompting. Although parameter-efficient, we hypothesize that explicit time series modeling scales better and outperforms implicit approaches. We thus introduce OpenTSLM-Flamingo, which integrates time series with text via cross-attention. We benchmark both variants against baselines that treat time series as text tokens or plots, across a suite of text-time-series Chain-of-Thought (CoT) reasoning tasks. We introduce three datasets: HAR-CoT, Sleep-CoT, and ECG-QA-CoT. Across all, OpenTSLM models outperform baselines, reaching 69.9 F1 in sleep staging and 65.4 in HAR, compared to 9.05 and 52.2 for finetuned text-only models. Notably, even 1B-parameter OpenTSLM models surpass GPT-4o (15.47 and 2.95). OpenTSLM-Flamingo matches OpenTSLM-SoftPrompt in performance and outperforms on longer sequences, while maintaining stable memory requirements. By contrast, SoftPrompt grows exponentially in memory with sequence length, requiring around 110 GB compared to 40 GB VRAM when training on ECG-QA with LLaMA-3B. Expert reviews by clinicians find strong reasoning capabilities exhibited by OpenTSLMs on ECG-QA. To facilitate further research, we provide all code, datasets, and models open-source.

What Are Step-Level Reward Models Rewarding? Counterintuitive Findings from MCTS-Boosted Mathematical Reasoning

Step-level reward models (SRMs) can significantly enhance mathematical reasoning performance through process supervision or step-level preference alignment based on reinforcement learning. The performance of SRMs is pivotal, as they serve as critical guidelines, ensuring that each step in the reasoning process is aligned with desired outcomes. Recently, AlphaZero-like methods, where Monte Carlo Tree Search (MCTS) is employed for automatic step-level preference annotation, have proven particularly effective. However, the precise mechanisms behind the success of SRMs remain largely unexplored. To address this gap, this study delves into the counterintuitive aspects of SRMs, particularly focusing on MCTS-based approaches. Our findings reveal that the removal of natural language descriptions of thought processes has minimal impact on the efficacy of SRMs. Furthermore, we demonstrate that SRMs are adept at assessing the complex logical coherence present in mathematical language while having difficulty in natural language. These insights provide a nuanced understanding of the core elements that drive effective step-level reward modeling in mathematical reasoning. By shedding light on these mechanisms, this study offers valuable guidance for developing more efficient and streamlined SRMs, which can be achieved by focusing on the crucial parts of mathematical reasoning.

  • 7 authors
·
Dec 20, 2024

Code2MCP: A Multi-Agent Framework for Automated Transformation of Code Repositories into Model Context Protocol Services

The proliferation of Large Language Models (LLMs) has created a significant integration challenge in the AI agent ecosystem, often called the "N times M problem," where N models require custom integrations for M tools. This fragmentation stifles innovation and creates substantial development overhead. While the Model Context Protocol (MCP) has emerged as a standard to resolve this, its adoption is hindered by the manual effort required to convert the vast universe of existing software into MCP-compliant services. This is especially true for the millions of open-source repositories on GitHub, the world's largest collection of functional code. This paper introduces Code2MCP, a highly automated, agentic framework designed to transform any GitHub repository into a functional MCP service with minimal human intervention. Our system employs a multi-stage workflow that automates the entire process, from code analysis and environment configuration to service generation and deployment. A key innovation of our framework is an LLM-driven, closed-loop "Run--Review--Fix" cycle, which enables the system to autonomously debug and repair the code it generates. Code2MCP produces not only deployable services but also comprehensive technical documentation, acting as a catalyst to accelerate the MCP ecosystem by systematically unlocking the world's largest open-source code repository and automating the critical last mile of tool integration. The code is open-sourced at https://github.com/DEFENSE-SEU/MCP-Github-Agent.

An Analysis of Temporal Dropout in Earth Observation Time Series for Regression Tasks

Missing instances in time series data impose a significant challenge to deep learning models, particularly in regression tasks. In the Earth Observation field, satellite failure or cloud occlusion frequently results in missing time-steps, introducing uncertainties in the predicted output and causing a decline in predictive performance. While many studies address missing time-steps through data augmentation to improve model robustness, the uncertainty arising at the input level is commonly overlooked. To address this gap, we introduce Monte Carlo Temporal Dropout (MC-TD), a method that explicitly accounts for input-level uncertainty by randomly dropping time-steps during inference using a predefined dropout ratio, thereby simulating the effect of missing data. To bypass the need for costly searches for the optimal dropout ratio, we extend this approach with Monte Carlo Concrete Temporal Dropout (MC-ConcTD), a method that learns the optimal dropout distribution directly. Both MC-TD and MC-ConcTD are applied during inference, leveraging Monte Carlo sampling for uncertainty quantification. Experiments on three EO time-series datasets demonstrate that MC-ConcTD improves predictive performance and uncertainty calibration compared to existing approaches. Additionally, we highlight the advantages of adaptive dropout tuning over manual selection, making uncertainty quantification more robust and accessible for EO applications.

  • 3 authors
·
Apr 9

OpenHA: A Series of Open-Source Hierarchical Agentic Models in Minecraft

The choice of action spaces is a critical yet unresolved challenge in developing capable, end-to-end trainable agents. This paper first presents a large-scale, systematic comparison of prominent abstracted action spaces and tokenizers for Vision-Language-Action (VLA) or hierarchical agent models in the open-ended Minecraft. Our analysis reveals that no single action space is universally optimal; instead, the most effective abstraction is highly task-dependent, creating a dilemma for building generalist agents. To resolve this, we introduce Chain of Action (CoA), a novel framework that unifies high-level planning and low-level control within a single, monolithic VLA model. CoA treats an abstracted action not as a command for a separate policy, but as an intermediate reasoning step--akin to a chain of thought--that guides the generation of the final, executable action. Furthermore, we demonstrate that an All-in-One agent trained on a diverse mixture of action spaces using the CoA paradigm learns a more robust and generalizable policy. This unified agent achieves a new state-of-the-art, improving the overall task success rate over strong, specialized baselines. To foster reproducible research, we release the OpenHA (Open Hierarchical Agents) suite, which includes our comprehensive benchmark of over 800 distinct tasks, curated datasets, source code, and all pretrained model checkpoints at https://github.com/CraftJarvis/OpenHA

  • 7 authors
·
Sep 12 1

OpenCUA: Open Foundations for Computer-Use Agents

Vision-language models have demonstrated impressive capabilities as computer-use agents (CUAs) capable of automating diverse computer tasks. As their commercial potential grows, critical details of the most capable CUA systems remain closed. As these agents will increasingly mediate digital interactions and execute consequential decisions on our behalf, the research community needs access to open CUA frameworks to study their capabilities, limitations, and risks. To bridge this gap, we propose OpenCUA, a comprehensive open-source framework for scaling CUA data and foundation models. Our framework consists of: (1) an annotation infrastructure that seamlessly captures human computer-use demonstrations; (2) AgentNet, the first large-scale computer-use task dataset spanning 3 operating systems and 200+ applications and websites; (3) a scalable pipeline that transforms demonstrations into state-action pairs with reflective long Chain-of-Thought reasoning that sustain robust performance gains as data scales. Our end-to-end agent models demonstrate strong performance across CUA benchmarks. In particular, OpenCUA-32B achieves an average success rate of 34.8% on OSWorld-Verified, establishing a new state-of-the-art (SOTA) among open-source models and surpassing OpenAI CUA (GPT-4o). Further analysis confirms that our approach generalizes well across domains and benefits significantly from increased test-time computation. We release our annotation tool, datasets, code, and models to build open foundations for further CUA research.

  • 39 authors
·
Aug 12 2

AlphaMath Almost Zero: process Supervision without process

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

  • 4 authors
·
May 6, 2024

OMNI: Open-endedness via Models of human Notions of Interestingness

Open-ended algorithms aim to learn new, interesting behaviors forever. That requires a vast environment search space, but there are thus infinitely many possible tasks. Even after filtering for tasks the current agent can learn (i.e., learning progress), countless learnable yet uninteresting tasks remain (e.g., minor variations of previously learned tasks). An Achilles Heel of open-endedness research is the inability to quantify (and thus prioritize) tasks that are not just learnable, but also interesting (e.g., worthwhile and novel). We propose solving this problem by Open-endedness via Models of human Notions of Interestingness (OMNI). The insight is that we can utilize foundation models (FMs) as a model of interestingness (MoI), because they already internalize human concepts of interestingness from training on vast amounts of human-generated data, where humans naturally write about what they find interesting or boring. We show that FM-based MoIs improve open-ended learning by focusing on tasks that are both learnable and interesting, outperforming baselines based on uniform task sampling or learning progress alone. This approach has the potential to dramatically advance the ability to intelligently select which tasks to focus on next (i.e., auto-curricula), and could be seen as AI selecting its own next task to learn, facilitating self-improving AI and AI-Generating Algorithms. Project website at https://www.jennyzhangzt.com/omni/

  • 4 authors
·
Jun 2, 2023

O1 Replication Journey -- Part 2: Surpassing O1-preview through Simple Distillation, Big Progress or Bitter Lesson?

This paper presents a critical examination of current approaches to replicating OpenAI's O1 model capabilities, with particular focus on the widespread but often undisclosed use of knowledge distillation techniques. While our previous work explored the fundamental technical path to O1 replication, this study reveals how simple distillation from O1's API, combined with supervised fine-tuning, can achieve superior performance on complex mathematical reasoning tasks. Through extensive experiments, we show that a base model fine-tuned on simply tens of thousands of samples O1-distilled long-thought chains outperforms O1-preview on the American Invitational Mathematics Examination (AIME) with minimal technical complexity. Moreover, our investigation extends beyond mathematical reasoning to explore the generalization capabilities of O1-distilled models across diverse tasks: hallucination, safety and open-domain QA. Notably, despite training only on mathematical problem-solving data, our models demonstrated strong generalization to open-ended QA tasks and became significantly less susceptible to sycophancy after fine-tuning. We deliberately make this finding public to promote transparency in AI research and to challenge the current trend of obscured technical claims in the field. Our work includes: (1) A detailed technical exposition of the distillation process and its effectiveness, (2) A comprehensive benchmark framework for evaluating and categorizing O1 replication attempts based on their technical transparency and reproducibility, (3) A critical discussion of the limitations and potential risks of over-relying on distillation approaches, our analysis culminates in a crucial bitter lesson: while the pursuit of more capable AI systems is important, the development of researchers grounded in first-principles thinking is paramount.

  • 10 authors
·
Nov 25, 2024 2

Programmable Motion Generation for Open-Set Motion Control Tasks

Character animation in real-world scenarios necessitates a variety of constraints, such as trajectories, key-frames, interactions, etc. Existing methodologies typically treat single or a finite set of these constraint(s) as separate control tasks. They are often specialized, and the tasks they address are rarely extendable or customizable. We categorize these as solutions to the close-set motion control problem. In response to the complexity of practical motion control, we propose and attempt to solve the open-set motion control problem. This problem is characterized by an open and fully customizable set of motion control tasks. To address this, we introduce a new paradigm, programmable motion generation. In this paradigm, any given motion control task is broken down into a combination of atomic constraints. These constraints are then programmed into an error function that quantifies the degree to which a motion sequence adheres to them. We utilize a pre-trained motion generation model and optimize its latent code to minimize the error function of the generated motion. Consequently, the generated motion not only inherits the prior of the generative model but also satisfies the required constraints. Experiments show that we can generate high-quality motions when addressing a wide range of unseen tasks. These tasks encompass motion control by motion dynamics, geometric constraints, physical laws, interactions with scenes, objects or the character own body parts, etc. All of these are achieved in a unified approach, without the need for ad-hoc paired training data collection or specialized network designs. During the programming of novel tasks, we observed the emergence of new skills beyond those of the prior model. With the assistance of large language models, we also achieved automatic programming. We hope that this work will pave the way for the motion control of general AI agents.

  • 5 authors
·
May 29, 2024

SCI: A Metacognitive Control for Signal Dynamics

Modern deep learning systems are typically deployed as open-loop function approximators: they map inputs to outputs in a single pass, without regulating how much computation or explanatory effort is spent on a given case. In safety-critical settings, this is brittle: easy and ambiguous inputs receive identical processing, and uncertainty is only read off retrospectively from raw probabilities. We introduce the Surgical Cognitive Interpreter (SCI), a lightweight closed-loop metacognitive control layer that wraps an existing stochastic model and turns prediction into an iterative process. SCI monitors a scalar interpretive state SP(t), here instantiated as a normalized entropy-based confidence signal, and adaptively decides whether to stop, continue sampling, or abstain. The goal is not to improve accuracy per se, but to regulate interpretive error ΔSP and expose a safety signal that tracks when the underlying model is likely to fail. We instantiate SCI around Monte Carlo dropout classifiers in three domains: vision (MNIST digits), medical time series (MIT-BIH arrhythmia), and industrial condition monitoring (rolling-element bearings). In all cases, the controller allocates more inference steps to misclassified inputs than to correct ones (up to about 3-4x on MNIST and bearings, and 1.4x on MIT-BIH). The resulting ΔSP acts as a usable safety signal for detecting misclassifications (AUROC 0.63 on MNIST, 0.70 on MIT-BIH, 0.86 on bearings). Code and reproducibility: https://github.com/vishal-1344/sci

  • 1 authors
·
Nov 15

rStar-Math: Small LLMs Can Master Math Reasoning with Self-Evolved Deep Thinking

We present rStar-Math to demonstrate that small language models (SLMs) can rival or even surpass the math reasoning capability of OpenAI o1, without distillation from superior models. rStar-Math achieves this by exercising "deep thinking" through Monte Carlo Tree Search (MCTS), where a math policy SLM performs test-time search guided by an SLM-based process reward model. rStar-Math introduces three innovations to tackle the challenges in training the two SLMs: (1) a novel code-augmented CoT data sythesis method, which performs extensive MCTS rollouts to generate step-by-step verified reasoning trajectories used to train the policy SLM; (2) a novel process reward model training method that avoids na\"ive step-level score annotation, yielding a more effective process preference model (PPM); (3) a self-evolution recipe in which the policy SLM and PPM are built from scratch and iteratively evolved to improve reasoning capabilities. Through 4 rounds of self-evolution with millions of synthesized solutions for 747k math problems, rStar-Math boosts SLMs' math reasoning to state-of-the-art levels. On the MATH benchmark, it improves Qwen2.5-Math-7B from 58.8% to 90.0% and Phi3-mini-3.8B from 41.4% to 86.4%, surpassing o1-preview by +4.5% and +0.9%. On the USA Math Olympiad (AIME), rStar-Math solves an average of 53.3% (8/15) of problems, ranking among the top 20% the brightest high school math students. Code and data will be available at https://github.com/microsoft/rStar.

Towards Better Generalization in Open-Domain Question Answering by Mitigating Context Memorization

Open-domain Question Answering (OpenQA) aims at answering factual questions with an external large-scale knowledge corpus. However, real-world knowledge is not static; it updates and evolves continually. Such a dynamic characteristic of knowledge poses a vital challenge for these models, as the trained models need to constantly adapt to the latest information to make sure that the answers remain accurate. In addition, it is still unclear how well an OpenQA model can transfer to completely new knowledge domains. In this paper, we investigate the generalization performance of a retrieval-augmented QA model in two specific scenarios: 1) adapting to updated versions of the same knowledge corpus; 2) switching to completely different knowledge domains. We observe that the generalization challenges of OpenQA models stem from the reader's over-reliance on memorizing the knowledge from the external corpus, which hinders the model from generalizing to a new knowledge corpus. We introduce Corpus-Invariant Tuning (CIT), a simple but effective training strategy, to mitigate the knowledge over-memorization by controlling the likelihood of retrieved contexts during training. Extensive experimental results on multiple OpenQA benchmarks show that CIT achieves significantly better generalizability without compromising the model's performance in its original corpus and domain.

  • 5 authors
·
Apr 2, 2024

Evaluating Multimodal Large Language Models on Video Captioning via Monte Carlo Tree Search

Video captioning can be used to assess the video understanding capabilities of Multimodal Large Language Models (MLLMs). However, existing benchmarks and evaluation protocols suffer from crucial issues, such as inadequate or homogeneous creation of key points, exorbitant cost of data creation, and limited evaluation scopes. To address these issues, we propose an automatic framework, named AutoCaption, which leverages Monte Carlo Tree Search (MCTS) to construct numerous and diverse descriptive sentences (i.e., key points) that thoroughly represent video content in an iterative way. This iterative captioning strategy enables the continuous enhancement of video details such as actions, objects' attributes, environment details, etc. We apply AutoCaption to curate MCTS-VCB, a fine-grained video caption benchmark covering video details, thereby enabling a comprehensive evaluation of MLLMs on the video captioning task. We evaluate more than 20 open- and closed-source MLLMs of varying sizes on MCTS-VCB. Results show that MCTS-VCB can effectively and comprehensively evaluate the video captioning capability, with Gemini-1.5-Pro achieving the highest F1 score of 71.2. Interestingly, we fine-tune InternVL2.5-8B with the AutoCaption-generated data, which helps the model achieve an overall improvement of 25.0% on MCTS-VCB and 16.3% on DREAM-1K, further demonstrating the effectiveness of AutoCaption. The code and data are available at https://github.com/tjunlp-lab/MCTS-VCB.

  • 10 authors
·
Jun 11

MC-NEST -- Enhancing Mathematical Reasoning in Large Language Models with a Monte Carlo Nash Equilibrium Self-Refine Tree

Mathematical reasoning has proven to be a critical yet challenging task for large language models (LLMs), as they often struggle with complex multi-step problems. To address these limitations, we introduce the Monte Carlo Nash Equilibrium Self-Refine Tree (MC-NEST) algorithm, an enhancement of the Monte Carlo Tree Self-Refine (MCTSr) approach. By integrating Nash Equilibrium strategies with LLM-based self-refinement and self-evaluation processes, MC-NEST aims to improve decision-making for complex mathematical reasoning tasks. This method ensures balanced exploration and exploitation of potential solutions, leveraging Upper Confidence Bound (UCT) scores and various selection policies. Through iterative critique and refinement, MC-NEST enhances the reasoning capabilities of LLMs, particularly for problems requiring strategic decision-making. Comparative analysis reveals that GPT-4o, equipped with MC-NEST using an Importance Sampling Policy, achieved superior accuracy in domains such as Number Theory and Geometry. These results suggest that both LLMs GPT-4o and Phi-3-mini can benefit from MC-NEST, with iterative self-refinement proving especially effective in expanding the reasoning capacity and problem-solving performance of LLMs. We evaluate the effectiveness of MC-NEST on challenging Olympiad-level benchmarks, demonstrating its potential to significantly boost complex mathematical reasoning performance in LLMs.

  • 4 authors
·
Nov 23, 2024

Direct Reasoning Optimization: LLMs Can Reward And Refine Their Own Reasoning for Open-Ended Tasks

Recent advances in Large Language Models (LLMs) have showcased impressive reasoning abilities in structured tasks like mathematics and programming, largely driven by Reinforcement Learning with Verifiable Rewards (RLVR), which uses outcome-based signals that are scalable, effective, and robust against reward hacking. However, applying similar techniques to open-ended long-form reasoning tasks remains challenging due to the absence of generic, verifiable reward signals. To address this, we propose Direct Reasoning Optimization (DRO), a reinforcement learning framework for fine-tuning LLMs on open-ended, particularly long-form, reasoning tasks, guided by a new reward signal: the Reasoning Reflection Reward (R3). At its core, R3 selectively identifies and emphasizes key tokens in the reference outcome that reflect the influence of the model's preceding chain-of-thought reasoning, thereby capturing the consistency between reasoning and reference outcome at a fine-grained level. Crucially, R3 is computed internally using the same model being optimized, enabling a fully self-contained training setup. Additionally, we introduce a dynamic data filtering strategy based on R3 for open-ended reasoning tasks, reducing cost while improving downstream performance. We evaluate DRO on two diverse datasets -- ParaRev, a long-form paragraph revision task, and FinQA, a math-oriented QA benchmark -- and show that it consistently outperforms strong baselines while remaining broadly applicable across both open-ended and structured domains.

  • 7 authors
·
Jun 16

Syzygy of Thoughts: Improving LLM CoT with the Minimal Free Resolution

Chain-of-Thought (CoT) prompting enhances the reasoning of large language models (LLMs) by decomposing problems into sequential steps, mimicking human logic and reducing errors. However, complex tasks with vast solution spaces and vague constraints often exceed the capacity of a single reasoning chain. Inspired by Minimal Free Resolution (MFR) in commutative algebra and algebraic geometry, we propose Syzygy of Thoughts (SoT)-a novel framework that extends CoT by introducing auxiliary, interrelated reasoning paths. SoT captures deeper logical dependencies, enabling more robust and structured problem-solving. MFR decomposes a module into a sequence of free modules with minimal rank, providing a structured analytical approach to complex systems. This method introduces the concepts of "Module", "Betti numbers","Freeness", "Mapping", "Exactness" and "Minimality", enabling the systematic decomposition of the original complex problem into logically complete minimal subproblems while preserving key problem features and reducing reasoning length. We tested SoT across diverse datasets (e.g., GSM8K, MATH) and models (e.g., GPT-4o-mini, Qwen2.5), achieving inference accuracy that matches or surpasses mainstream CoTs standards. Additionally, by aligning the sampling process with algebraic constraints, our approach enhances the scalability of inference time in LLMs, ensuring both transparent reasoning and high performance. Our code will be publicly available at https://github.com/dlMARiA/Syzygy-of-thoughts.

ETTRL: Balancing Exploration and Exploitation in LLM Test-Time Reinforcement Learning Via Entropy Mechanism

Recent advancements in Large Language Models have yielded significant improvements in complex reasoning tasks such as mathematics and programming. However, these models remain heavily dependent on annotated data and exhibit limited adaptability in unsupervised scenarios. To address these limitations, test-time reinforcement learning (TTRL) has been proposed, which enables self-optimization by leveraging model-generated pseudo-labels. Despite its promise, TTRL faces several key challenges, including high inference costs due to parallel rollouts and early-stage estimation bias that fosters overconfidence, reducing output diversity and causing performance plateaus. To address these challenges, we introduce an entropy-based mechanism to enhance the exploration-exploitation balance in test-time reinforcement learning through two strategies: Entropy-fork Tree Majority Rollout (ETMR) and Entropy-based Advantage Reshaping (EAR). Compared with the baseline, our approach enables Llama3.1-8B to achieve a 68 percent relative improvement in Pass at 1 metric on the AIME 2024 benchmark, while consuming only 60 percent of the rollout tokens budget. This highlights our method's ability to effectively optimize the trade-off between inference efficiency, diversity, and estimation robustness, thereby advancing unsupervised reinforcement learning for open-domain reasoning tasks.

  • 6 authors
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Aug 15

MiroMind-M1: An Open-Source Advancement in Mathematical Reasoning via Context-Aware Multi-Stage Policy Optimization

Large language models have recently evolved from fluent text generation to advanced reasoning across diverse domains, giving rise to reasoning language models. Among these domains, mathematical reasoning serves as a representative benchmark as it requires precise multi-step logic and abstract reasoning, which can be generalized to other tasks. While closed-source RLMs such as GPT-o3 demonstrate impressive reasoning capabilities, their proprietary nature limits transparency and reproducibility. Although many open-source projects aim to close this gap, most of them lack sufficient openness by omitting critical resources such as datasets and detailed training configurations, which hinders reproducibility. To contribute toward greater transparency in RLM development, we introduce the MiroMind-M1 series, a set of fully open-source RLMs built on the Qwen-2.5 backbone that match or exceed the performance of existing open-source RLMs. Specifically, our models are trained in two stages: SFT on a carefully curated corpus of 719K math-reasoning problems with verified CoT trajectories, followed by RLVR on 62K challenging and verifiable problems. To enhance the robustness and efficiency of the RLVR process, we introduce Context-Aware Multi-Stage Policy Optimization, an algorithm that integrates length-progressive training with an adaptive repetition penalty to encourage context-aware RL training. Our model achieves state-of-the-art or competitive performance and superior token efficiency among Qwen-2.5-based open-source 7B and 32B models on the AIME24, AIME25, and MATH benchmarks. To facilitate reproducibility, we release the complete stack: models (MiroMind-M1-SFT-7B, MiroMind-M1-RL-7B, MiroMind-M1-RL-32B); datasets (MiroMind-M1-SFT-719K, MiroMind-M1-RL-62K); and all training and evaluation configurations. We hope these resources will support further research and foster community advancement.

  • 18 authors
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Jul 19 2