Daily Papers

Large language models (LLMs) are aligned with human preferences by reinforcement learning from human feedback (RLHF). Effective data sampling is crucial for RLHF, as it determines the efficiency of model training, ensuring that models learn from the informative samples. To achieve better data generation, we propose a new sampling method called Preference-Guided Reflective Sampling (PRS). PRS frames the response generation as an optimization process to the explicitly specified user preference described in natural language. It employs a tree-based generation framework to enable an efficient sampling process, which guides the direction of generation through preference and better explores the sampling space with adaptive self-refinement. Notably, PRS can align LLMs to diverse preferences. We study preference-controlled text generation for instruction following and keyword-focused document summarization. Our findings indicate that PRS, across different LLM policies, generates training data with much higher rewards than strong baselines. PRS also excels in post-RL training.

Translating natural language queries into SQLs in a seq2seq manner has attracted much attention recently. However, compared with abstract-syntactic-tree-based SQL generation, seq2seq semantic parsers face much more challenges, including poor quality on schematical information prediction and poor semantic coherence between natural language queries and SQLs. This paper analyses the above difficulties and proposes a seq2seq-oriented decoding strategy called SR, which includes a new intermediate representation SSQL and a reranking method with score re-estimator to solve the above obstacles respectively. Experimental results demonstrate the effectiveness of our proposed techniques and T5-SR-3b achieves new state-of-the-art results on the Spider dataset.

Although retrieval-augmented generation(RAG) significantly improves generation quality by retrieving external knowledge bases and integrating generated content, it faces computational efficiency bottlenecks, particularly in knowledge retrieval tasks involving hierarchical structures for Tree-RAG. This paper proposes a Tree-RAG acceleration method based on the improved Cuckoo Filter, which optimizes entity localization during the retrieval process to achieve significant performance improvements. Tree-RAG effectively organizes entities through the introduction of a hierarchical tree structure, while the Cuckoo Filter serves as an efficient data structure that supports rapid membership queries and dynamic updates. The experiment results demonstrate that our method is much faster than naive Tree-RAG while maintaining high levels of generative quality. When the number of trees is large, our method is hundreds of times faster than naive Tree-RAG. Our work is available at https://github.com/TUPYP7180/CFT-RAG-2025.

Accurate forecasts for day-ahead photovoltaic (PV) power generation are crucial to support a high PV penetration rate in the local electricity grid and to assure stability in the grid. We use state-of-the-art tree-based machine learning methods to produce such forecasts and, unlike previous studies, we hereby account for (i) the effects various meteorological as well as astronomical features have on PV power production, and this (ii) at coarse as well as granular spatial locations. To this end, we use data from Belgium and forecast day-ahead PV power production at an hourly resolution. The insights from our study can assist utilities, decision-makers, and other stakeholders in optimizing grid operations, economic dispatch, and in facilitating the integration of distributed PV power into the electricity grid.

With the rapid advancement of generative models, general-purpose generation has gained increasing attention as a promising approach to unify diverse tasks across modalities within a single system. Despite this progress, existing open-source frameworks often remain fragile and struggle to support complex real-world applications due to the lack of structured workflow planning and execution-level feedback. To address these limitations, we present ComfyMind, a collaborative AI system designed to enable robust and scalable general-purpose generation, built on the ComfyUI platform. ComfyMind introduces two core innovations: Semantic Workflow Interface (SWI) that abstracts low-level node graphs into callable functional modules described in natural language, enabling high-level composition and reducing structural errors; Search Tree Planning mechanism with localized feedback execution, which models generation as a hierarchical decision process and allows adaptive correction at each stage. Together, these components improve the stability and flexibility of complex generative workflows. We evaluate ComfyMind on three public benchmarks: ComfyBench, GenEval, and Reason-Edit, which span generation, editing, and reasoning tasks. Results show that ComfyMind consistently outperforms existing open-source baselines and achieves performance comparable to GPT-Image-1. ComfyMind paves a promising path for the development of open-source general-purpose generative AI systems. Project page: https://github.com/LitaoGuo/ComfyMind

This paper presents a novel approach in autonomous robot control, named LLM-BRAIn, that makes possible robot behavior generation, based on operator's commands. LLM-BRAIn is a transformer-based Large Language Model (LLM) fine-tuned from Stanford Alpaca 7B model to generate robot behavior tree (BT) from the text description. We train the LLM-BRAIn on 8,5k instruction-following demonstrations, generated in the style of self-instruct using text-davinchi-003. The developed model accurately builds complex robot behavior while remaining small enough to be run on the robot's onboard microcomputer. The model gives structural and logical correct BTs and can successfully manage instructions that were not presented in training set. The experiment did not reveal any significant subjective differences between BTs generated by LLM-BRAIn and those created by humans (on average, participants were able to correctly distinguish between LLM-BRAIn generated BTs and human-created BTs in only 4.53 out of 10 cases, indicating that their performance was close to random chance). The proposed approach potentially can be applied to mobile robotics, drone operation, robot manipulator systems and Industry 4.0.

Leveraging the autonomous decision-making capabilities of large language models (LLMs) demonstrates superior performance in reasoning tasks. Despite the successes of iterative or recursive retrieval-augmented generation (RAG), they often are trapped in a single solution space when confronted with complex tasks. In this paper, we propose a novel thinking pattern in RAG which integrates system analysis with efficient reasoning actions, significantly activating intrinsic reasoning capabilities and expanding the solution space of specific tasks via Monte Carlo Tree Search (MCTS), dubbed AirRAG. Specifically, our approach designs five fundamental reasoning actions that are expanded to a wide tree-based reasoning spaces using MCTS. The extension also uses self-consistency verification to explore potential reasoning paths and implement inference scaling. In addition, computationally optimal strategies are used to apply more inference computation to key actions to achieve further performance improvements. Experimental results demonstrate the effectiveness of AirRAG through considerable performance gains over complex QA datasets. Furthermore, AirRAG is flexible and lightweight, making it easy to integrate with other advanced technologies.

Reinforcement Learning with Verifiable Rewards (RLVR), particularly with algorithms like Group Relative Policy Optimization (GRPO), has proven highly effective in enhancing the reasoning capabilities of large language models. However, a critical bottleneck in current pipelines lies in the limited diversity of sampled trajectories during group rollouts. Homogeneous trajectories and their associated rewards would diminish the return signals for policy updates, thereby hindering effective policy learning. This lack of diversity stems primarily from token-level stochastic sampling, where local variations are likely to collapse into near-identical reasoning paths. To address this limitation, we propose Lookahead Tree-Based Rollouts (LATR), a novel rollout strategy designed to explicitly promotes trajectory-level diversity by enforcing branching into different candidate tokens likely to yield distinct continuations. Specifically, LATR iteratively operates in three stages: (1) branching at high-uncertainty generation steps, (2) performing lookahead simulation for each new branch, and (3) pruning branches that exhibits prolonged similarity during simulation. Compared with stochastic Sampling, LATR accelerates policy learning by 131% on average and improves final pass@1 performance by 4.2% on both GRPO and Dynamic sAmpling Policy Optimization (DAPO) algorithms across different reasoning tasks. Our code and data are publicly available at https://github.com/starreeze/latr.

Document retrieval is a core component of question-answering systems, as it enables conditioning answer generation on new and large-scale corpora. While effective, the standard practice of encoding documents into high-dimensional embeddings for similarity search entails large memory and compute footprints, and also makes it hard to inspect the inner workings of the system. In this paper, we propose a tree-based method for organizing and representing reference documents at various granular levels, which offers the flexibility to balance cost and utility, and eases the inspection of the corpus content and retrieval operations. Our method, called ReTreever, jointly learns a routing function per internal node of a binary tree such that query and reference documents are assigned to similar tree branches, hence directly optimizing for retrieval performance. Our evaluations show that ReTreever generally preserves full representation accuracy. Its hierarchical structure further provides strong coarse representations and enhances transparency by indirectly learning meaningful semantic groupings. Among hierarchical retrieval methods, ReTreever achieves the best retrieval accuracy at the lowest latency, proving that this family of techniques can be viable in practical applications.

In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments. To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods. Code is available at https://github.com/jaehyun513/OCTree.

Designing solutions for complex engineering challenges is crucial in human production activities. However, previous research in the retrieval-augmented generation (RAG) field has not sufficiently addressed tasks related to the design of complex engineering solutions. To fill this gap, we introduce a new benchmark, SolutionBench, to evaluate a system's ability to generate complete and feasible solutions for engineering problems with multiple complex constraints. To further advance the design of complex engineering solutions, we propose a novel system, SolutionRAG, that leverages the tree-based exploration and bi-point thinking mechanism to generate reliable solutions. Extensive experimental results demonstrate that SolutionRAG achieves state-of-the-art (SOTA) performance on the SolutionBench, highlighting its potential to enhance the automation and reliability of complex engineering solution design in real-world applications.

The advancement in Large Language Models has driven the creation of complex agentic systems, such as Deep Research Agents (DRAs), to overcome the limitations of static Retrieval Augmented Generation (RAG) pipelines in handling complex, multi-turn research tasks. This paper introduces the Static Deep Research Agent (Static-DRA), a novel solution built upon a configurable and hierarchical Tree-based static workflow. The core contribution is the integration of two user-tunable parameters, Depth and Breadth, which provide granular control over the research intensity. This design allows end-users to consciously balance the desired quality and comprehensiveness of the research report against the associated computational cost of Large Language Model (LLM) interactions. The agent's architecture, comprising Supervisor, Independent, and Worker agents, facilitates effective multi-hop information retrieval and parallel sub-topic investigation. We evaluate the Static-DRA against the established DeepResearch Bench using the RACE (Reference-based Adaptive Criteria-driven Evaluation) framework. Configured with a depth of 2 and a breadth of 5, and powered by the gemini-2.5-pro model, the agent achieved an overall score of 34.72. Our experiments validate that increasing the configured Depth and Breadth parameters results in a more in-depth research process and a correspondingly higher evaluation score. The Static-DRA offers a pragmatic and resource-aware solution, empowering users with transparent control over the deep research process. The entire source code, outputs and benchmark results are open-sourced at https://github.com/SauravP97/Static-Deep-Research/

The rapid advancement of Large Language Models (LLMs) has outpaced traditional evaluation methods. Static benchmarks fail to capture the depth and breadth of LLM capabilities and eventually become obsolete, while most dynamic approaches either rely too heavily on LLM-based evaluation or remain constrained by predefined test sets. We introduce Prism, a flexible, dynamic benchmarking framework designed for comprehensive LLM assessment. Prism builds on three key components: (1) a tree-based state representation that models evaluation as a Markov Decision Process, (2) a Monte Carlo Tree Search algorithm adapted to uncover challenging evaluation scenarios, and (3) a multi-agent evaluation pipeline that enables simultaneous assessment of diverse capabilities. To ensure robust evaluation, Prism integrates structural measurements of tree exploration patterns with performance metrics across difficulty levels, providing detailed diagnostics of error patterns, test coverage, and solution approaches. Through extensive experiments on five state-of-the-art LLMs, we analyze how model architecture and scale influence code generation performance across varying task difficulties. Our results demonstrate Prism's effectiveness as a dynamic benchmark that evolves with model advancements while offering deeper insights into their limitations.

Recent advancements in aligning large language models via reinforcement learning have achieved remarkable gains in solving complex reasoning problems, but at the cost of expensive on-policy rollouts and limited exploration of diverse reasoning paths. In this work, we introduce TreePO, involving a self-guided rollout algorithm that views sequence generation as a tree-structured searching process. Composed of dynamic tree sampling policy and fixed-length segment decoding, TreePO leverages local uncertainty to warrant additional branches. By amortizing computation across common prefixes and pruning low-value paths early, TreePO essentially reduces the per-update compute burden while preserving or enhancing exploration diversity. Key contributions include: (1) a segment-wise sampling algorithm that alleviates the KV cache burden through contiguous segments and spawns new branches along with an early-stop mechanism; (2) a tree-based segment-level advantage estimation that considers both global and local proximal policy optimization. and (3) analysis on the effectiveness of probability and quality-driven dynamic divergence and fallback strategy. We empirically validate the performance gain of TreePO on a set reasoning benchmarks and the efficiency saving of GPU hours from 22\% up to 43\% of the sampling design for the trained models, meanwhile showing up to 40\% reduction at trajectory-level and 35\% at token-level sampling compute for the existing models. While offering a free lunch of inference efficiency, TreePO reveals a practical path toward scaling RL-based post-training with fewer samples and less compute. Home page locates at https://m-a-p.ai/TreePO.

Effective instruction tuning is indispensable for optimizing code LLMs, aligning model behavior with user expectations and enhancing model performance in real-world applications. However, most existing methods focus on code snippets, which are limited to specific functionalities and rigid structures, restricting the complexity and diversity of the synthesized data. To address these limitations, we introduce a novel feature tree-based synthesis framework inspired by Abstract Syntax Trees (AST). Unlike AST, which captures syntactic structure of code, our framework models semantic relationships between code elements, enabling the generation of more nuanced and diverse data. The feature tree is constructed from raw data and refined iteratively to increase the quantity and diversity of the extracted features. This process enables the identification of more complex patterns and relationships within the code. By sampling subtrees with controlled depth and breadth, our framework allows precise adjustments to the complexity of the generated code, supporting a wide range of tasks from simple function-level operations to intricate multi-file scenarios. We fine-tuned widely-used base models to create the EpiCoder series, achieving state-of-the-art performance at both the function and file levels across multiple benchmarks. Notably, empirical evidence indicates that our approach shows significant potential in synthesizing highly complex repository-level code data. Further analysis elucidates the merits of this approach by rigorously assessing data complexity and diversity through software engineering principles and LLM-as-a-judge method.

In software development through integrated development environments (IDEs), code completion is one of the most widely used features. Nevertheless, majority of integrated development environments only support completion of methods and APIs, or arguments. In this paper, we introduce IntelliCode Compose - a general-purpose multilingual code completion tool which is capable of predicting sequences of code tokens of arbitrary types, generating up to entire lines of syntactically correct code. It leverages state-of-the-art generative transformer model trained on 1.2 billion lines of source code in Python, C#, JavaScript and TypeScript programming languages. IntelliCode Compose is deployed as a cloud-based web service. It makes use of client-side tree-based caching, efficient parallel implementation of the beam search decoder, and compute graph optimizations to meet edit-time completion suggestion requirements in the Visual Studio Code IDE and Azure Notebook. Our best model yields an average edit similarity of 86.7% and a perplexity of 1.82 for Python programming language.

As large language models (LLMs) become increasingly prevalent, ensuring their robustness against adversarial misuse is crucial. This paper introduces the GAP (Graph of Attacks with Pruning) framework, an advanced approach for generating stealthy jailbreak prompts to evaluate and enhance LLM safeguards. GAP addresses limitations in existing tree-based LLM jailbreak methods by implementing an interconnected graph structure that enables knowledge sharing across attack paths. Our experimental evaluation demonstrates GAP's superiority over existing techniques, achieving a 20.8% increase in attack success rates while reducing query costs by 62.7%. GAP consistently outperforms state-of-the-art methods for attacking both open and closed LLMs, with attack success rates of >96%. Additionally, we present specialized variants like GAP-Auto for automated seed generation and GAP-VLM for multimodal attacks. GAP-generated prompts prove highly effective in improving content moderation systems, increasing true positive detection rates by 108.5% and accuracy by 183.6% when used for fine-tuning. Our implementation is available at https://github.com/dsbuddy/GAP-LLM-Safety.

Most existing studies in text-to-SQL tasks do not require generating complex SQL queries with multiple clauses or sub-queries, and generalizing to new, unseen databases. In this paper we propose SyntaxSQLNet, a syntax tree network to address the complex and cross-domain text-to-SQL generation task. SyntaxSQLNet employs a SQL specific syntax tree-based decoder with SQL generation path history and table-aware column attention encoders. We evaluate SyntaxSQLNet on the Spider text-to-SQL task, which contains databases with multiple tables and complex SQL queries with multiple SQL clauses and nested queries. We use a database split setting where databases in the test set are unseen during training. Experimental results show that SyntaxSQLNet can handle a significantly greater number of complex SQL examples than prior work, outperforming the previous state-of-the-art model by 7.3% in exact matching accuracy. We also show that SyntaxSQLNet can further improve the performance by an additional 7.5% using a cross-domain augmentation method, resulting in a 14.8% improvement in total. To our knowledge, we are the first to study this complex and cross-domain text-to-SQL task.

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS^star), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to 10times less compute. In text-to-image generation and language completion tasks, DTS^star effectively searches for high reward samples that match best-of-N with up to 5times less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.

While large language models have demonstrated exceptional performance across a wide range of tasks, they remain susceptible to hallucinations -- generating plausible yet factually incorrect contents. Existing methods to mitigating such risk often rely on sampling multiple full-length generations, which introduces significant response latency and becomes ineffective when the model consistently produces hallucinated outputs with high confidence. To address these limitations, we introduce Monitoring Decoding (MD), a novel framework that dynamically monitors the generation process and selectively applies in-process interventions, focusing on revising crucial tokens responsible for hallucinations. Instead of waiting until completion of multiple full-length generations, we identify hallucination-prone tokens during generation using a monitor function, and further refine these tokens through a tree-based decoding strategy. This approach ensures an enhanced factual accuracy and coherence in the generated output while maintaining efficiency. Experimental results demonstrate that MD consistently outperforms self-consistency-based approaches in both effectiveness and efficiency, achieving higher factual accuracy while significantly reducing computational overhead.

Large Reasoning Models(LRMs) such as OpenAI o1 and DeepSeek-R1 have shown remarkable reasoning capabilities by scaling test-time compute and generating long Chain-of-Thought(CoT). Distillation--post-training on LRMs-generated data--is a straightforward yet effective method to enhance the reasoning abilities of smaller models, but faces a critical bottleneck: we found that distilled long CoT data poses learning difficulty for small models and leads to the inheritance of biases (i.e. over-thinking) when using Supervised Fine-tuning(SFT) and Reinforcement Learning(RL) methods. To alleviate this bottleneck, we propose constructing tree-based CoT data from scratch via Monte Carlo Tree Search(MCTS). We then exploit a set of CoT-aware approaches, including Thoughts Length Balance, Fine-grained DPO, and Joint Post-training Objective, to enhance SFT and RL on the construted data.

Large language models (LLMs) commonly employ autoregressive generation during inference, leading to high memory bandwidth demand and consequently extended latency. To mitigate this inefficiency, we present Bi-directional Tuning for lossless Acceleration (BiTA), an innovative method expediting LLMs via streamlined semi-autoregressive generation and draft verification. Inspired by the concept of prompt tuning, we enhance LLMs with a parameter-efficient design called bi-directional tuning for the capability in semi-autoregressive generation. Employing efficient tree-based decoding, the models perform draft candidate generation and verification in parallel, ensuring outputs identical to their autoregressive counterparts under greedy sampling. BiTA serves as a lightweight plug-in module, seamlessly boosting the inference efficiency of existing LLMs without requiring additional assistance models or incurring significant extra memory costs. Applying the proposed BiTA, LLaMA-2-70B-Chat achieves a 2.7times speedup on the MT-Bench benchmark. Extensive experiments confirm our method surpasses state-of-the-art acceleration techniques.

Speculative decoding is an inference-acceleration method for large language models (LLMs) where a small language model generates a draft-token sequence which is further verified by the target LLM in parallel. Recent works have advanced this method by establishing a draft-token tree, achieving superior performance over a single-sequence speculative decoding. However, those works independently generate tokens at each level of the tree, not leveraging the tree's entire diversifiability. Besides, their empirical superiority has been shown for fixed length of sequences, implicitly granting more computational resource to LLM for the tree-based methods. None of the existing works has conducted empirical studies with fixed target computational budgets despite its importance to resource-bounded devices. We present Recursive Speculative Decoding (RSD), a novel tree-based method that samples draft tokens without replacement and maximizes the diversity of the tree. During RSD's drafting, the tree is built by either Gumbel-Top-k trick that draws tokens without replacement in parallel or Stochastic Beam Search that samples sequences without replacement while early-truncating unlikely draft sequences and reducing the computational cost of LLM. We empirically evaluate RSD with Llama 2 and OPT models, showing that RSD outperforms the baseline methods, consistently for fixed draft sequence length and in most cases for fixed computational budgets at LLM.

With recent advancements in large language models, methods like chain-of-thought prompting to elicit reasoning chains have been shown to improve results on reasoning tasks. However, tasks that require multiple steps of reasoning still pose significant challenges to state-of-the-art models. Drawing inspiration from the beam search algorithm, we propose PathFinder, a tree-search-based reasoning path generation approach. It enhances diverse branching and multi-hop reasoning through the integration of dynamic decoding, enabled by varying sampling methods and parameters. Using constrained reasoning, PathFinder integrates novel quality constraints, pruning, and exploration methods to enhance the efficiency and the quality of generation. Moreover, it includes scoring and ranking features to improve candidate selection. Our approach outperforms competitive baselines on three complex arithmetic and commonsense reasoning tasks by 6% on average. Our model generalizes well to longer, unseen reasoning chains, reflecting similar complexities to beam search with large branching factors.

Scaling laws for inference compute in multi-agent systems remain under-explored compared to single-agent scenarios. This work aims to bridge this gap by investigating the problem of data synthesis through multi-agent sampling, where synthetic responses are generated by sampling from multiple distinct language models. Effective model coordination is crucial for successful multi-agent collaboration. Unlike previous approaches that rely on fixed workflows, we treat model coordination as a multi-step decision-making process, optimizing generation structures dynamically for each input question. We introduce Tree Search-based Orchestrated Agents~(TOA), where the workflow evolves iteratively during the sequential sampling process. To achieve this, we leverage Monte Carlo Tree Search (MCTS), integrating a reward model to provide real-time feedback and accelerate exploration. Our experiments on alignment, machine translation, and mathematical reasoning demonstrate that multi-agent sampling significantly outperforms single-agent sampling as inference compute scales. TOA is the most compute-efficient approach, achieving SOTA performance on WMT and a 71.8\% LC win rate on AlpacaEval. Moreover, fine-tuning with our synthesized alignment data surpasses strong preference learning methods on challenging benchmarks such as Arena-Hard and AlpacaEval.

Dynamic retrieval augmented generation (RAG) paradigm actively decides when and what to retrieve during the text generation process of Large Language Models (LLMs). There are two key elements of this paradigm: identifying the optimal moment to activate the retrieval module (deciding when to retrieve) and crafting the appropriate query once retrieval is triggered (determining what to retrieve). However, current dynamic RAG methods fall short in both aspects. Firstly, the strategies for deciding when to retrieve often rely on static rules. Moreover, the strategies for deciding what to retrieve typically limit themselves to the LLM's most recent sentence or the last few tokens, while the LLM's real-time information needs may span across the entire context. To overcome these limitations, we introduce a new framework, DRAGIN, i.e., Dynamic Retrieval Augmented Generation based on the real-time Information Needs of LLMs. Our framework is specifically designed to make decisions on when and what to retrieve based on the LLM's real-time information needs during the text generation process. We evaluate DRAGIN along with existing methods comprehensively over 4 knowledge-intensive generation datasets. Experimental results show that DRAGIN achieves superior performance on all tasks, demonstrating the effectiveness of our method. We have open-sourced all the code, data, and models in GitHub: https://github.com/oneal2000/DRAGIN/tree/main

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.

Large language models (LLMs) have shown remarkable ability to generate code, yet their outputs often violate syntactic or semantic constraints when guided only through natural language prompts. We introduce TreeCoder, the most general and flexible framework to date for exploring decoding strategies, constraints, and hyperparameters in LLMs, and use it in code generation to enforce correctness and structure during decoding rather than relying on prompt engineering. TreeCoder represents decoding as a tree search over candidate programs, where both decoding strategies and constraint functions - such as style, syntax, execution - are treated as first-class, optimisable components. This design enables systematic exploration and automatic tuning of decoding configurations using standard optimisation techniques. Experiments on the MBPP (Python) and SQL-Spider benchmarks show that TreeCoder consistently improves accuracy across open-source models such as CodeLlama, Mistral and DeepSeek, often outperforming their unconstrained baselines by considerable margins.

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

We present MindGPT-4ov, a multimodal large language model (MLLM) that introduces a general post-training paradigm spanning data production, model training, and efficient deployment. It achieves state-of-the-art performance across multiple benchmarks at low cost, effectively enhancing the foundational capabilities of MLLMs and the generalization ability. Focusing on data construction, supervised fine-tuning strategies, and multimodal reinforcement learning methods, this work proposes three key innovations: (1) An information density-based data generation scheme, integrated with a dual-dimensional tree-structured label system, enabling automated generation of high-quality cross-domain data. (2) A collaborative curriculum supervised fine-tuning approach that balances the injection of domain-specific knowledge with the preservation of general capabilities. (3) A hybrid reinforcement learning paradigm that enhances reasoning ability while simultaneously addressing multi-objective optimization such as diversity exploration, maintenance of multimodal perception, and response conciseness. Moreover, we implement a series of infrastructure optimizations, such as 5D parallel training, operator optimization, and inference quantization to enhance training and inference efficiency while reducing the cost of domain adaptation. Experimental results demonstrate that the MindGPT-4ov model outperforms state-of-the-art models on benchmarks such as MMBench, MMStar, MathVision, and MathVista. In addition, MindGPT-4ov also demonstrates superior user experience in vertical domain tasks, enabling a seamless transition from academic research to industrial deployment. MindGPT-4ov provides a general post-training paradigm applicable to a wide range of MLLMs. The model weights, datasets, and code for the Qwen3-VL-based variants will be recently open-sourced to support the community's development of MLLMs.

Graph-based retrieval-augmented generation (Graph-based RAG) has demonstrated significant potential in enhancing Large Language Models (LLMs) with structured knowledge. However, existing methods face three critical challenges: Inaccurate Graph Construction, caused by LLM hallucination; Poor Reasoning Ability, caused by failing to generate explicit reasons telling LLM why certain chunks were selected; and Inadequate Answering, which only partially answers the query due to the inadequate LLM reasoning, making their performance lag behind NaiveRAG on certain tasks. To address these issues, we propose AGRAG, an advanced graph-based retrieval-augmented generation framework. When constructing the graph, AGRAG substitutes the widely used LLM entity extraction method with a statistics-based method, avoiding hallucination and error propagation. When retrieval, AGRAG formulates the graph reasoning procedure as the Minimum Cost Maximum Influence (MCMI) subgraph generation problem, where we try to include more nodes with high influence score, but with less involving edge cost, to make the generated reasoning paths more comprehensive. We prove this problem to be NP-hard, and propose a greedy algorithm to solve it. The MCMI subgraph generated can serve as explicit reasoning paths to tell LLM why certain chunks were retrieved, thereby making the LLM better focus on the query-related part contents of the chunks, reducing the impact of noise, and improving AGRAG's reasoning ability. Furthermore, compared with the simple tree-structured reasoning paths, our MCMI subgraph can allow more complex graph structures, such as cycles, and improve the comprehensiveness of the generated reasoning paths.

Large Language Models (LLMs) have demonstrated remarkable generation capabilities but often struggle to access up-to-date information, which can lead to hallucinations. Retrieval-Augmented Generation (RAG) addresses this issue by incorporating knowledge from external databases, enabling more accurate and relevant responses. Due to the context window constraints of LLMs, it is impractical to input the entire external database context directly into the model. Instead, only the most relevant information, referred to as chunks, is selectively retrieved. However, current RAG research faces three key challenges. First, existing solutions often select each chunk independently, overlooking potential correlations among them. Second, in practice the utility of chunks is non-monotonic, meaning that adding more chunks can decrease overall utility. Traditional methods emphasize maximizing the number of included chunks, which can inadvertently compromise performance. Third, each type of user query possesses unique characteristics that require tailored handling, an aspect that current approaches do not fully consider. To overcome these challenges, we propose a cost constrained retrieval optimization system CORAG for retrieval-augmented generation. We employ a Monte Carlo Tree Search (MCTS) based policy framework to find optimal chunk combinations sequentially, allowing for a comprehensive consideration of correlations among chunks. Additionally, rather than viewing budget exhaustion as a termination condition, we integrate budget constraints into the optimization of chunk combinations, effectively addressing the non-monotonicity of chunk utility.

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.

Tree-Ring Watermarking is a significant technique for authenticating AI-generated images. However, its effectiveness in rectified flow-based models remains unexplored, particularly given the inherent challenges of these models with noise latent inversion. Through extensive experimentation, we evaluated and compared the detection and separability of watermarks between SD 2.1 and FLUX.1-dev models. By analyzing various text guidance configurations and augmentation attacks, we demonstrate how inversion limitations affect both watermark recovery and the statistical separation between watermarked and unwatermarked images. Our findings provide valuable insights into the current limitations of Tree-Ring Watermarking in the current SOTA models and highlight the critical need for improved inversion methods to achieve reliable watermark detection and separability. The official implementation, dataset release and all experimental results are available at this https://github.com/dsgiitr/flux-watermarking{link}.

Pre-trained on massive amounts of code and text data, large language models (LLMs) have demonstrated remarkable achievements in performing code generation tasks. With additional execution-based feedback, these models can act as agents with capabilities to self-refine and improve generated code autonomously. However, on challenging coding tasks with extremely large search space, current agentic approaches still struggle with multi-stage planning, generating, and debugging. To address this problem, we propose CodeTree, a framework for LLM agents to efficiently explore the search space in different stages of the code generation process. Specifically, we adopted a unified tree structure to explicitly explore different coding strategies, generate corresponding coding solutions, and subsequently refine the solutions. In each stage, critical decision-making (ranking, termination, expanding) of the exploration process is guided by both the environmental execution-based feedback and LLM-agent-generated feedback. We comprehensively evaluated CodeTree on 7 code generation benchmarks and demonstrated the significant performance gains of CodeTree against strong baselines. Using GPT-4o as the base model, we consistently achieved top results of 95.1 on HumanEval, 98.7 on MBPP, and 43.0 on CodeContests. On the challenging SWEBench benchmark, our approach led to significant performance gains.

We seek to automate the design of molecules based on specific chemical properties. In computational terms, this task involves continuous embedding and generation of molecular graphs. Our primary contribution is the direct realization of molecular graphs, a task previously approached by generating linear SMILES strings instead of graphs. Our junction tree variational autoencoder generates molecular graphs in two phases, by first generating a tree-structured scaffold over chemical substructures, and then combining them into a molecule with a graph message passing network. This approach allows us to incrementally expand molecules while maintaining chemical validity at every step. We evaluate our model on multiple tasks ranging from molecular generation to optimization. Across these tasks, our model outperforms previous state-of-the-art baselines by a significant margin.

Retrieval-Augmented Generation (RAG) has become essential for large-scale code generation, grounding predictions in external code corpora to improve actuality. However, a critical yet underexplored aspect of RAG pipelines is chunking -- the process of dividing documents into retrievable units. Existing line-based chunking heuristics often break semantic structures, splitting functions or merging unrelated code, which can degrade generation quality. We propose chunking via Abstract Syntax Trees (\ourwork), a structure-aware method that recursively breaks large AST nodes into smaller chunks and merges sibling nodes while respecting size limits. This approach generates self-contained, semantically coherent units across programming languages and tasks, improving performance on diverse code generation tasks, e.g., boosting Recall@5 by 4.3 points on RepoEval retrieval and Pass@1 by 2.67 points on SWE-bench generation. Our work highlights the importance of structure-aware chunking for scaling retrieval-enhanced code intelligence.

This paper presents a novel approach to generating behavior trees for robots using lightweight large language models (LLMs) with a maximum of 7 billion parameters. The study demonstrates that it is possible to achieve satisfying results with compact LLMs when fine-tuned on a specific dataset. The key contributions of this research include the creation of a fine-tuning dataset based on existing behavior trees using GPT-3.5 and a comprehensive comparison of multiple LLMs (namely llama2, llama-chat, and code-llama) across nine distinct tasks. To be thorough, we evaluated the generated behavior trees using static syntactical analysis, a validation system, a simulated environment, and a real robot. Furthermore, this work opens the possibility of deploying such solutions directly on the robot, enhancing its practical applicability. Findings from this study demonstrate the potential of LLMs with a limited number of parameters in generating effective and efficient robot behaviors.

This paper explores the task of radiology report generation, which aims at generating free-text descriptions for a set of radiographs. One significant challenge of this task is how to correctly maintain the consistency between the images and the lengthy report. Previous research explored solving this issue through planning-based methods, which generate reports only based on high-level plans. However, these plans usually only contain the major observations from the radiographs (e.g., lung opacity), lacking much necessary information, such as the observation characteristics and preliminary clinical diagnoses. To address this problem, the system should also take the image information into account together with the textual plan and perform stronger reasoning during the generation process. In this paper, we propose an observation-guided radiology report generation framework (ORGAN). It first produces an observation plan and then feeds both the plan and radiographs for report generation, where an observation graph and a tree reasoning mechanism are adopted to precisely enrich the plan information by capturing the multi-formats of each observation. Experimental results demonstrate that our framework outperforms previous state-of-the-art methods regarding text quality and clinical efficacy

This paper introduces LLM-MARS, first technology that utilizes a Large Language Model based Artificial Intelligence for Multi-Agent Robot Systems. LLM-MARS enables dynamic dialogues between humans and robots, allowing the latter to generate behavior based on operator commands and provide informative answers to questions about their actions. LLM-MARS is built on a transformer-based Large Language Model, fine-tuned from the Falcon 7B model. We employ a multimodal approach using LoRa adapters for different tasks. The first LoRa adapter was developed by fine-tuning the base model on examples of Behavior Trees and their corresponding commands. The second LoRa adapter was developed by fine-tuning on question-answering examples. Practical trials on a multi-agent system of two robots within the Eurobot 2023 game rules demonstrate promising results. The robots achieve an average task execution accuracy of 79.28% in compound commands. With commands containing up to two tasks accuracy exceeded 90%. Evaluation confirms the system's answers on operators questions exhibit high accuracy, relevance, and informativeness. LLM-MARS and similar multi-agent robotic systems hold significant potential to revolutionize logistics, enabling autonomous exploration missions and advancing Industry 5.0.

Desktop accessibility metadata enables AI agents to interpret screens and supports users who depend on tools like screen readers. Yet, many applications remain largely inaccessible due to incomplete or missing metadata provided by developers - our investigation shows that only 33% of applications on macOS offer full accessibility support. While recent work on structured screen representation has primarily addressed specific challenges, such as UI element detection or captioning, none has attempted to capture the full complexity of desktop interfaces by replicating their entire hierarchical structure. To bridge this gap, we introduce Screen2AX, the first framework to automatically create real-time, tree-structured accessibility metadata from a single screenshot. Our method uses vision-language and object detection models to detect, describe, and organize UI elements hierarchically, mirroring macOS's system-level accessibility structure. To tackle the limited availability of data for macOS desktop applications, we compiled and publicly released three datasets encompassing 112 macOS applications, each annotated for UI element detection, grouping, and hierarchical accessibility metadata alongside corresponding screenshots. Screen2AX accurately infers hierarchy trees, achieving a 77% F1 score in reconstructing a complete accessibility tree. Crucially, these hierarchy trees improve the ability of autonomous agents to interpret and interact with complex desktop interfaces. We introduce Screen2AX-Task, a benchmark specifically designed for evaluating autonomous agent task execution in macOS desktop environments. Using this benchmark, we demonstrate that Screen2AX delivers a 2.2x performance improvement over native accessibility representations and surpasses the state-of-the-art OmniParser V2 system on the ScreenSpot benchmark.

Existing large language models (LLMs) for register transfer level code generation face challenges like compilation failures and suboptimal power, performance, and area (PPA) efficiency. This is due to the lack of PPA awareness in conventional transformer decoding algorithms. In response, we present an automated transformer decoding algorithm that integrates Monte Carlo tree-search for lookahead, guiding the transformer to produce compilable, functionally correct, and PPA-optimized code. Empirical evaluation with a fine-tuned language model on RTL codesets shows that our proposed technique consistently generates functionally correct code compared to prompting-only methods and effectively addresses the PPA-unawareness drawback of naive large language models. For the largest design generated by the state-of-the-art LLM (16-bit adder), our technique can achieve a 31.8% improvement in the area-delay product.

Recent advancements in large language models (LLMs) have sparked considerable interest in automated theorem proving and a prominent line of research integrates stepwise LLM-based provers into tree search. In this paper, we introduce a novel proof-state exploration approach for training data synthesis, designed to produce diverse tactics across a wide range of intermediate proof states, thereby facilitating effective one-shot fine-tuning of LLM as the policy model. We also propose an adaptive beam size strategy, which effectively takes advantage of our data synthesis method and achieves a trade-off between exploration and exploitation during tree search. Evaluations on the MiniF2F and ProofNet benchmarks demonstrate that our method outperforms strong baselines under the stringent Pass@1 metric, attaining an average pass rate of 60.74% on MiniF2F and 21.18% on ProofNet. These results underscore the impact of large-scale synthetic data in advancing automated theorem proving.

Solving complex reasoning tasks is a key real-world application of agents. Thanks to the pretraining of Large Language Models (LLMs) on code data, recent approaches like CodeAct successfully use code as LLM agents' action, achieving good results. However, CodeAct greedily generates the next action's code block by relying on fragmented thoughts, resulting in inconsistency and instability. Moreover, CodeAct lacks action-related ground-truth (GT), making its supervision signals and termination conditions questionable in multi-turn interactions. To address these issues, we first introduce a simple yet effective end-to-end code generation paradigm, CodeProgram, which leverages code's systematic logic to align with global reasoning and enable cohesive problem-solving. Then, we propose Tree-of-Code (ToC), which self-grows CodeProgram nodes based on the executable nature of the code and enables self-supervision in a GT-free scenario. Experimental results on two datasets using ten popular zero-shot LLMs show ToC remarkably boosts accuracy by nearly 20% over CodeAct with less than 1/4 turns. Several LLMs even perform better on one-turn CodeProgram than on multi-turn CodeAct. To further investigate the trade-off between efficacy and efficiency, we test different ToC tree sizes and exploration mechanisms. We also highlight the potential of ToC's end-to-end data generation for supervised and reinforced fine-tuning.

Recent advancements in generative large language models (LLMs) have significantly boosted the performance in natural language processing tasks. However, their efficiency is hampered by the inherent limitations in autoregressive token generation. While parallel decoding with token tree verification, e.g., Medusa, has been proposed to improve decoding parallelism and efficiency, it often struggles with maintaining contextual relationships due to its independent token prediction approach and incurs significant verification overhead, especially with large tree sizes and batch processing. In this paper, we propose ProPD, an efficient LLM parallel decoding framework based on dynamic token tree pruning and generation. ProPD features an advanced early pruning mechanism to efficiently eliminate unpromising token sequences to improve verification efficiency. Additionally, it introduces a dynamic token tree generation algorithm to balance the computation and parallelism of the verification phase in real-time and maximize the overall efficiency across different batch sizes, sequence lengths, and tasks, etc. We verify ProPD across a diverse set of datasets, LLMs, and batch sizes and demonstrate ProPD consistently outperforms existing decoding algorithms by 1.1-3.2x.

Automated Program Repair (APR) attempts to fix software bugs without human intervention, which plays a crucial role in software development and maintenance. Recently, with the advances in Large Language Models (LLMs), a rapidly increasing number of APR techniques have been proposed with remarkable performance. However, existing LLM-based APR techniques typically adopt trial-and-error strategies, which suffer from two major drawbacks: (1) inherently limited patch effectiveness due to local exploration, and (2) low search efficiency due to redundant exploration. In this paper, we propose APRMCTS, which uses iterative tree search to improve LLM-based APR. APRMCTS incorporates Monte Carlo Tree Search (MCTS) into patch searching by performing a global evaluation of the explored patches and selecting the most promising one for subsequent refinement and generation. APRMCTS effectively resolves the problems of falling into local optima and thus helps improve the efficiency of patch searching. Our experiments on 835 bugs from Defects4J demonstrate that, when integrated with GPT-3.5, APRMCTS can fix a total of 201 bugs, which outperforms all state-of-the-art baselines. Besides, APRMCTS helps GPT-4o-mini, GPT-3.5, Yi-Coder-9B, and Qwen2.5-Coder-7B to fix 30, 27, 37, and 28 more bugs, respectively. More importantly, APRMCTS boasts a significant performance advantage while employing small patch size (16 and 32), notably fewer than the 500 and 10,000 patches adopted in previous studies. In terms of cost, compared to existing state-of-the-art LLM-based APR methods, APRMCTS has time and monetary costs of less than 20% and 50%, respectively. Our extensive study demonstrates that APRMCTS exhibits good effectiveness and efficiency, with particular advantages in addressing complex bugs.

As an effective method to boost the performance of Large Language Models (LLMs) on the question answering (QA) task, Retrieval-Augmented Generation (RAG), which queries highly relevant information from external complex documents, has attracted tremendous attention from both industry and academia. Existing RAG approaches often focus on general documents, and they overlook the fact that many real-world documents (such as books, booklets, handbooks, etc.) have a hierarchical structure, which organizes their content from different granularity levels, leading to poor performance for the QA task. To address these limitations, we introduce BookRAG, a novel RAG approach targeted for documents with a hierarchical structure, which exploits logical hierarchies and traces entity relations to query the highly relevant information. Specifically, we build a novel index structure, called BookIndex, by extracting a hierarchical tree from the document, which serves as the role of its table of contents, using a graph to capture the intricate relationships between entities, and mapping entities to tree nodes. Leveraging the BookIndex, we then propose an agent-based query method inspired by the Information Foraging Theory, which dynamically classifies queries and employs a tailored retrieval workflow. Extensive experiments on three widely adopted benchmarks demonstrate that BookRAG achieves state-of-the-art performance, significantly outperforming baselines in both retrieval recall and QA accuracy while maintaining competitive efficiency.

Recently, large language models (LLMs) have demonstrated impressive performance in Knowledge Graph Question Answering (KGQA) tasks, which aim to find answers based on knowledge graphs (KGs) for natural language questions. Existing LLMs-based KGQA methods typically follow the Graph Retrieval-Augmented Generation (GraphRAG) paradigm, which first retrieves reasoning paths from the large KGs, and then generates the answers based on them. However, these methods emphasize the exploration of new optimal reasoning paths in KGs while ignoring the exploitation of historical reasoning paths, which may lead to sub-optimal reasoning paths. Additionally, the complex semantics contained in questions may lead to the retrieval of inaccurate reasoning paths. To address these issues, this paper proposes a novel and training-free framework for KGQA tasks called Reward-guided Tree Search on Graph (RTSoG). RTSoG decomposes an original question into a series of simpler and well-defined sub-questions to handle the complex semantics. Then, a Self-Critic Monte Carlo Tree Search (SC-MCTS) guided by a reward model is introduced to iteratively retrieve weighted reasoning paths as contextual knowledge. Finally, it stacks the weighted reasoning paths according to their weights to generate the final answers. Extensive experiments on four datasets demonstrate the effectiveness of RTSoG. Notably, it achieves 8.7\% and 7.0\% performance improvement over the state-of-the-art method on the GrailQA and the WebQSP respectively.

We present a novel method for hierarchical topic detection where topics are obtained by clustering documents in multiple ways. Specifically, we model document collections using a class of graphical models called hierarchical latent tree models (HLTMs). The variables at the bottom level of an HLTM are observed binary variables that represent the presence/absence of words in a document. The variables at other levels are binary latent variables, with those at the lowest latent level representing word co-occurrence patterns and those at higher levels representing co-occurrence of patterns at the level below. Each latent variable gives a soft partition of the documents, and document clusters in the partitions are interpreted as topics. Latent variables at high levels of the hierarchy capture long-range word co-occurrence patterns and hence give thematically more general topics, while those at low levels of the hierarchy capture short-range word co-occurrence patterns and give thematically more specific topics. Unlike LDA-based topic models, HLTMs do not refer to a document generation process and use word variables instead of token variables. They use a tree structure to model the relationships between topics and words, which is conducive to the discovery of meaningful topics and topic hierarchies.

Large Language Model (LLM) based multi-agent systems (MAS) show remarkable potential in collaborative problem-solving, yet they still face critical challenges: low communication efficiency, poor scalability, and a lack of effective parameter-updating optimization methods. We present Optima, a novel framework that addresses these issues by significantly enhancing both communication efficiency and task effectiveness in LLM-based MAS through LLM training. Optima employs an iterative generate, rank, select, and train paradigm with a reward function balancing task performance, token efficiency, and communication readability. We explore various RL algorithms, including Supervised Fine-Tuning, Direct Preference Optimization, and their hybrid approaches, providing insights into their effectiveness-efficiency trade-offs. We integrate Monte Carlo Tree Search-inspired techniques for DPO data generation, treating conversation turns as tree nodes to explore diverse interaction paths. Evaluated on common multi-agent tasks, including information-asymmetric question answering and complex reasoning, Optima shows consistent and substantial improvements over single-agent baselines and vanilla MAS based on Llama 3 8B, achieving up to 2.8x performance gain with less than 10\% tokens on tasks requiring heavy information exchange. Moreover, Optima's efficiency gains open new possibilities for leveraging inference-compute more effectively, leading to improved inference-time scaling laws. By addressing fundamental challenges in LLM-based MAS, Optima shows the potential towards scalable, efficient, and effective MAS (https://chenweize1998.github.io/optima-project-page).

Automated Program Repair (APR) improves software reliability by generating patches for a buggy program automatically. Recent APR techniques leverage deep learning (DL) to build models to learn to generate patches from existing patches and code corpora. While promising, DL-based APR techniques suffer from the abundant syntactically or semantically incorrect patches in the patch space. These patches often disobey the syntactic and semantic domain knowledge of source code and thus cannot be the correct patches to fix a bug. We propose a DL-based APR approach KNOD, which incorporates domain knowledge to guide patch generation in a direct and comprehensive way. KNOD has two major novelties, including (1) a novel three-stage tree decoder, which directly generates Abstract Syntax Trees of patched code according to the inherent tree structure, and (2) a novel domain-rule distillation, which leverages syntactic and semantic rules and teacher-student distributions to explicitly inject the domain knowledge into the decoding procedure during both the training and inference phases. We evaluate KNOD on three widely-used benchmarks. KNOD fixes 72 bugs on the Defects4J v1.2, 25 bugs on the QuixBugs, and 50 bugs on the additional Defects4J v2.0 benchmarks, outperforming all existing APR tools.

In recent years, AI-assisted IC design methods have demonstrated great potential, but the availability of circuit design data is extremely limited, especially in the public domain. The lack of circuit data has become the primary bottleneck in developing AI-assisted IC design methods. In this work, we make the first attempt, SynCircuit, to generate new synthetic circuits with valid functionalities in the HDL format. SynCircuit automatically generates synthetic data using a framework with three innovative steps: 1) We propose a customized diffusion-based generative model to resolve the Directed Cyclic Graph (DCG) generation task, which has not been well explored in the AI community. 2) To ensure our circuit is valid, we enforce the circuit constraints by refining the initial graph generation outputs. 3) The Monte Carlo tree search (MCTS) method further optimizes the logic redundancy in the generated graph. Experimental results demonstrate that our proposed SynCircuit can generate more realistic synthetic circuits and enhance ML model performance in downstream circuit design tasks.

Retrieval-Augmented Generation (RAG) has shown significant improvements in various natural language processing tasks by integrating the strengths of large language models (LLMs) and external knowledge databases. However, RAG introduces long sequence generation and leads to high computation and memory costs. We propose RAGCache, a novel multilevel dynamic caching system tailored for RAG. Our analysis benchmarks current RAG systems, pinpointing the performance bottleneck (i.e., long sequence due to knowledge injection) and optimization opportunities (i.e., caching knowledge's intermediate states). Based on these insights, we design RAGCache, which organizes the intermediate states of retrieved knowledge in a knowledge tree and caches them in the GPU and host memory hierarchy. RAGCache proposes a replacement policy that is aware of LLM inference characteristics and RAG retrieval patterns. It also dynamically overlaps the retrieval and inference steps to minimize the end-to-end latency. We implement RAGCache and evaluate it on vLLM, a state-of-the-art LLM inference system and Faiss, a state-of-the-art vector database. The experimental results show that RAGCache reduces the time to first token (TTFT) by up to 4x and improves the throughput by up to 2.1x compared to vLLM integrated with Faiss.

Recent advances in large language models have demonstrated impressive capabilities in task-oriented applications, yet building emotionally intelligent chatbots that can engage in natural, strategic conversations remains a challenge. We present a novel approach called SAGE that uses latent variables to control long-horizon behavior in dialogue generation. At the core of our method is the State-Action Chain (SAC), which augments standard language model fine-tuning by introducing latent variables that encapsulate emotional states and conversational strategies between dialogue turns. During inference, these variables are generated before each response, enabling coarse-grained control over dialogue progression while maintaining natural interaction patterns. We also introduce a self-improvement pipeline that leverages dialogue tree search, LLM-based reward modeling, and targeted fine-tuning to optimize conversational trajectories. Our experimental results show that models trained with this approach demonstrate improved performance in emotional intelligence metrics while maintaining strong capabilities on LLM benchmarks. The discrete nature of our latent variables facilitates search-based strategies and provides a foundation for future applications of reinforcement learning to dialogue systems, where learning can occur at the state level rather than the token level.

Inference-time search algorithms such as Monte-Carlo Tree Search (MCTS) may seem unnecessary when generating natural language text based on state-of-the-art reinforcement learning such as Proximal Policy Optimization (PPO). In this paper, we demonstrate that it is possible to get extra mileage out of PPO by integrating MCTS on top. The key idea is not to throw out the value network, a byproduct of PPO training for evaluating partial output sequences, when decoding text out of the policy network. More concretely, we present a novel value-guided decoding algorithm called PPO-MCTS, which can integrate the value network from PPO to work closely with the policy network during inference-time generation. Compared to prior approaches based on MCTS for controlled text generation, the key strength of our approach is to reduce the fundamental mismatch of the scoring mechanisms of the partial outputs between training and test. Evaluation on four text generation tasks demonstrate that PPO-MCTS greatly improves the preferability of generated text compared to the standard practice of using only the PPO policy. Our results demonstrate the promise of search algorithms even on top of the aligned language models from PPO, and the under-explored benefit of the value network.

In this work we consider Code World Models, world models generated by a Large Language Model (LLM) in the form of Python code for model-based Reinforcement Learning (RL). Calling code instead of LLMs for planning has potential to be more precise, reliable, interpretable, and extremely efficient. However, writing appropriate Code World Models requires the ability to understand complex instructions, to generate exact code with non-trivial logic and to self-debug a long program with feedback from unit tests and environment trajectories. To address these challenges, we propose Generate, Improve and Fix with Monte Carlo Tree Search (GIF-MCTS), a new code generation strategy for LLMs. To test our approach in an offline RL setting, we introduce the Code World Models Benchmark (CWMB), a suite of program synthesis and planning tasks comprised of 18 diverse RL environments paired with corresponding textual descriptions and curated trajectories. GIF-MCTS surpasses all baselines on the CWMB and two other benchmarks, and we show that the Code World Models synthesized with it can be successfully used for planning, resulting in model-based RL agents with greatly improved sample efficiency and inference speed.

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

Solving mathematical problems using computer-verifiable languages like Lean has significantly impacted mathematical and computer science communities. State-of-the-art methods utilize single Large Language Models (LLMs) as agents or provers to either generate complete proof or perform tree searches. However, single-agent methods inherently lack a structured way to combine high-level reasoning in Natural Language (NL) with Formal Language (FL) verification feedback. To solve these issues, we propose MA-LoT: Multi-Agent Lean-based Long Chain-of-Thought framework, (to the best of our knowledge), the first multi-agent framework for Lean4 theorem proving that balance high-level NL reasoning and FL verification in Long CoT. Using this structured interaction, our approach enables deeper insights and long-term coherence in proof generation, with which past methods struggle. We do this by leveraging emergent formal reasoning ability in Long CoT using our novel LoT-Transfer Learning training-inference pipeline. Extensive experiments show that our framework achieves 54.51% accuracy rate on the Lean4 version of MiniF2F-Test dataset, largely outperforming GPT-4 (22.95%), single-agent tree search (InternLM-Step-Prover, 50.70%), and whole-proof generation (DeepSeek-Prover-v1.5, 48.36%) baselines. Furthermore, our findings highlight the potential of combining Long CoT with formal verification for a more insightful generation in a broader perspective.

We present DART, an open domain structured DAta Record to Text generation dataset with over 82k instances (DARTs). Data-to-Text annotations can be a costly process, especially when dealing with tables which are the major source of structured data and contain nontrivial structures. To this end, we propose a procedure of extracting semantic triples from tables that encodes their structures by exploiting the semantic dependencies among table headers and the table title. Our dataset construction framework effectively merged heterogeneous sources from open domain semantic parsing and dialogue-act-based meaning representation tasks by utilizing techniques such as: tree ontology annotation, question-answer pair to declarative sentence conversion, and predicate unification, all with minimum post-editing. We present systematic evaluation on DART as well as new state-of-the-art results on WebNLG 2017 to show that DART (1) poses new challenges to existing data-to-text datasets and (2) facilitates out-of-domain generalization. Our data and code can be found at https://github.com/Yale-LILY/dart.

In this paper, we propose a new method Strategist that utilizes LLMs to acquire new skills for playing multi-agent games through a self-improvement process. Our method gathers quality feedback through self-play simulations with Monte Carlo tree search and LLM-based reflection, which can then be used to learn high-level strategic skills such as how to evaluate states that guide the low-level execution.We showcase how our method can be used in both action planning and dialogue generation in the context of games, achieving good performance on both tasks. Specifically, we demonstrate that our method can help train agents with better performance than both traditional reinforcement learning-based approaches and other LLM-based skill learning approaches in games including the Game of Pure Strategy (GOPS) and The Resistance: Avalon.

Large Language Models (LLMs) have revolutionized natural language processing through their state of art reasoning capabilities. This paper explores the convergence of LLM reasoning techniques and feature generation for machine learning tasks. We examine four key reasoning approaches: Chain of Thought, Tree of Thoughts, Retrieval-Augmented Generation, and Thought Space Exploration. Our analysis reveals how these approaches can be used to identify effective feature generation rules without having to manually specify search spaces. The paper categorizes LLM-based feature generation methods across various domains including finance, healthcare, and text analytics. LLMs can extract key information from clinical notes and radiology reports in healthcare, by enabling more efficient data utilization. In finance, LLMs facilitate text generation, summarization, and entity extraction from complex documents. We analyze evaluation methodologies for assessing feature quality and downstream performance, with particular attention to OCTree's decision tree reasoning approach that provides language-based feedback for iterative improvements. Current challenges include hallucination, computational efficiency, and domain adaptation. As of March 2025, emerging approaches include inference-time compute scaling, reinforcement learning, and supervised fine-tuning with model distillation. Future directions point toward multimodal feature generation, self-improving systems, and neuro-symbolic approaches. This paper provides a detailed overview of an emerging field that promises to automate and enhance feature engineering through language model reasoning.

Sampling-based decoding strategies have been widely adopted for Large Language Models (LLMs) in numerous applications, targeting a balance between diversity and quality via temperature tuning and tail truncation. Considering the strong dependency of the candidate next tokens on different prefixes, recent studies propose to adaptively truncate the tail of LLMs' predicted distribution. Although improved results have been reported with these methods on open-ended text generation tasks, the results are highly dependent on the curated parameters and the limited exemplar text. In this paper, we propose a systematic way to estimate the capacity of a truncation sampling method by considering the trade-off between diversity and risk at each decoding step, based on our collected prefix tree which preserves the context of a full sentence. Our work offers a comprehensive comparison of existing truncation sampling methods and serves as a practical user guideline for their parameter selection.

In today's rapidly evolving field of electronic design automation (EDA), the complexity of hardware designs is increasing, necessitating more sophisticated automation solutions. High-level synthesis (HLS), as a pivotal solution, automates hardware designs from high-level abstractions (e.g., C/C++). However, it faces significant challenges, particularly in design space exploration and optimization. While large language models (LLMs) have shown notable capabilities in code generation, their application to HLS has been limited due to the scarcity of (publicly) available HLS code datasets. Hence, research in this domain has primarily focused on techniques such as prompt engineering and retrieval-augmented generation (RAG). To overcome this limitation, this paper introduces SAGE-HLS, the first-of-its-kind fine-tuned LLM specifically for HLS code generation. Our method includes three key advancements: (i) We implement Verilog-to-C/C++ porting, converting verified and synthesizable Verilog codes into corresponding C, creating a dataset of 16.7K HLS codes; (ii) We implement a fine-tuning strategy, which is based on instruction prompting to code generation guided by abstract syntax tree (AST); (iii) We develop a semi-automated evaluation framework using VerilogEval to assess the functionality of the generated HLS code. Our experiments show that SAGE-HLS, fined-tuned on the QwenCoder (2.5) 7B model, achieves a near 100% success rate in code synthesizability and a 75% success rate in functional correctness.

While large language models perform well on a range of complex tasks (e.g., text generation, question answering, summarization), robust multi-step planning and reasoning remains a considerable challenge for them. In this paper we show that search-based planning can significantly improve LLMs' playing strength across several board games (Chess, Fischer Random / Chess960, Connect Four, and Hex). We introduce, compare and contrast two major approaches: In external search, the model guides Monte Carlo Tree Search (MCTS) rollouts and evaluations without calls to an external engine, and in internal search, the model directly generates in-context a linearized tree of potential futures and a resulting final choice. Both build on a language model pre-trained on relevant domain knowledge, capturing the transition and value functions across these games. We find that our pre-training method minimizes hallucinations, as our model is highly accurate regarding state prediction and legal moves. Additionally, both internal and external search indeed improve win-rates against state-of-the-art bots, even reaching Grandmaster-level performance in chess while operating on a similar move count search budget per decision as human Grandmasters. The way we combine search with domain knowledge is not specific to board games, suggesting direct extensions into more general language model inference and training techniques.

Database administrators (DBAs) play an important role in managing, maintaining and optimizing database systems. However, it is hard and tedious for DBAs to manage a large number of databases and give timely response (waiting for hours is intolerable in many online cases). In addition, existing empirical methods only support limited diagnosis scenarios, which are also labor-intensive to update the diagnosis rules for database version updates. Recently large language models (LLMs) have shown great potential in various fields. Thus, we propose D-Bot, an LLM-based database diagnosis system that can automatically acquire knowledge from diagnosis documents, and generate reasonable and well-founded diagnosis report (i.e., identifying the root causes and solutions) within acceptable time (e.g., under 10 minutes compared to hours by a DBA). The techniques in D-Bot include (i) offline knowledge extraction from documents, (ii) automatic prompt generation (e.g., knowledge matching, tool retrieval), (iii) root cause analysis using tree search algorithm, and (iv) collaborative mechanism for complex anomalies with multiple root causes. We verify D-Bot on real benchmarks (including 539 anomalies of six typical applications), and the results show that D-Bot can effectively analyze the root causes of unseen anomalies and significantly outperforms traditional methods and vanilla models like GPT-4.

Large Language Models (LLMs) have demonstrated remarkable potential in handling complex reasoning tasks by generating step-by-step rationales.Some methods have proven effective in boosting accuracy by introducing extra verifiers to assess these paths. However, existing verifiers, typically trained on binary-labeled reasoning paths, fail to fully utilize the relative merits of intermediate steps, thereby limiting the effectiveness of the feedback provided. To overcome this limitation, we propose Tree-based Preference Learning Verifier (Tree-PLV), a novel approach that constructs reasoning trees via a best-first search algorithm and collects step-level paired data for preference training. Compared to traditional binary classification, step-level preferences more finely capture the nuances between reasoning steps, allowing for a more precise evaluation of the complete reasoning path. We empirically evaluate Tree-PLV across a range of arithmetic and commonsense reasoning tasks, where it significantly outperforms existing benchmarks. For instance, Tree-PLV achieved substantial performance gains over the Mistral-7B self-consistency baseline on GSM8K (67.55% to 82.79%), MATH (17.00% to 26.80%), CSQA (68.14% to 72.97%), and StrategyQA (82.86% to 83.25%).Additionally, our study explores the appropriate granularity for applying preference learning, revealing that step-level guidance provides feedback that better aligns with the evaluation of the reasoning process.

Although current Large Language Models (LLMs) exhibit impressive capabilities, performing complex real-world tasks still requires tool learning. Mainstream methods, such as CoT/ReAct, rely on step-by-step tool invocation to interact with external environments, but they are limited in perceptual scope and lack adequate task-planning capability. To address these limitations, other studies introduce the first Search-based Decision Tree (DFSDT), which still suffers from the high computational cost. In this paper, we introduce a novel parallel tool invocation paradigm, DTA-Llama (Divide-Then-Aggregate Llama). First, we transform traditional tree-based tool search paths into Directed Acyclic Graph (DAG) structure, generating a high-quality parallel tool invocation dataset. The DTA-Llama is then trained on the dataset to learn to iteratively divide the current task into several parallel tool invocation sub-tasks and aggregate the invocation results to decide the next actions. Furthermore, we introduce an efficient inference framework inspired by the Process/Threads mechanism when applying the DTA-Llama to practical tasks. Experimental results show that our approach substantially enhances task performance while reducing token consumption and inference time. Llama2-7B, using our method, is comparable to the official parallel function calling method of GPT-3.5. The relevant code, dataset, and model weights are available at https://corn0205.github.io/

Monte Carlo Tree Search (MCTS) based methods provide promising approaches for generating synthetic data to enhance the self-training of Large Language Model (LLM) based multi-agent systems (MAS). These methods leverage Q-values to estimate individual agent contributions. However, relying solely on Q-values to identify informative data may misalign with the data synthesis objective, as the focus should be on selecting data that best enhances model training. To address this discrepancy, we propose Data Influence-oriented Tree Search (DITS), a novel framework that incorporates influence scores to guide both tree search and data selection. By leveraging influence scores, we effectively identify the most impactful data for system improvement, thereby enhancing model performance. Furthermore, we derive influence score estimation methods tailored for non-differentiable metrics, significantly reducing computational overhead by utilizing inference computations. Extensive experiments on eight multi-agent datasets demonstrate the robustness and effectiveness of the proposed methods. Notably, our findings reveal that allocating more inference resources to estimate influence scores, rather than Q-values, during data synthesis can more effectively and efficiently enhance model training.

Knowledge base question answering (KBQA) has attracted a lot of interest in recent years, especially for complex questions which require multiple facts to answer. Question decomposition is a promising way to answer complex questions. Existing decomposition methods split the question into sub-questions according to a single compositionality type, which is not sufficient for questions involving multiple compositionality types. In this paper, we propose Question Decomposition Tree (QDT) to represent the structure of complex questions. Inspired by recent advances in natural language generation (NLG), we present a two-staged method called Clue-Decipher to generate QDT. It can leverage the strong ability of NLG model and simultaneously preserve the original questions. To verify that QDT can enhance KBQA task, we design a decomposition-based KBQA system called QDTQA. Extensive experiments show that QDTQA outperforms previous state-of-the-art methods on ComplexWebQuestions dataset. Besides, our decomposition method improves an existing KBQA system by 12% and sets a new state-of-the-art on LC-QuAD 1.0.

Existing RAG benchmarks often overlook query difficulty, leading to inflated performance on simpler questions and unreliable evaluations. A robust benchmark dataset must satisfy three key criteria: quality, diversity, and difficulty, which capturing the complexity of reasoning based on hops and the distribution of supporting evidence. In this paper, we propose MHTS (Multi-Hop Tree Structure), a novel dataset synthesis framework that systematically controls multi-hop reasoning complexity by leveraging a multi-hop tree structure to generate logically connected, multi-chunk queries. Our fine-grained difficulty estimation formula exhibits a strong correlation with the overall performance metrics of a RAG system, validating its effectiveness in assessing both retrieval and answer generation capabilities. By ensuring high-quality, diverse, and difficulty-controlled queries, our approach enhances RAG evaluation and benchmarking capabilities.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

Tabular data is hard to acquire and is subject to missing values. This paper proposes a novel approach to generate and impute mixed-type (continuous and categorical) tabular data using score-based diffusion and conditional flow matching. Contrary to previous work that relies on neural networks as function approximators, we instead utilize XGBoost, a popular Gradient-Boosted Tree (GBT) method. In addition to being elegant, we empirically show on various datasets that our method i) generates highly realistic synthetic data when the training dataset is either clean or tainted by missing data and ii) generates diverse plausible data imputations. Our method often outperforms deep-learning generation methods and can trained in parallel using CPUs without the need for a GPU. To make it easily accessible, we release our code through a Python library on PyPI and an R package on CRAN.

This paper studies close-loop task planning, which refers to the process of generating a sequence of skills (a plan) to accomplish a specific goal while adapting the plan based on real-time observations. Recently, prompting Large Language Models (LLMs) to generate actions iteratively has become a prevalent paradigm due to its superior performance and user-friendliness. However, this paradigm is plagued by two inefficiencies: high token consumption and redundant error correction, both of which hinder its scalability for large-scale testing and applications. To address these issues, we propose Tree-Planner, which reframes task planning with LLMs into three distinct phases: plan sampling, action tree construction, and grounded deciding. Tree-Planner starts by using an LLM to sample a set of potential plans before execution, followed by the aggregation of them to form an action tree. Finally, the LLM performs a top-down decision-making process on the tree, taking into account real-time environmental information. Experiments show that Tree-Planner achieves state-of-the-art performance while maintaining high efficiency. By decomposing LLM queries into a single plan-sampling call and multiple grounded-deciding calls, a considerable part of the prompt are less likely to be repeatedly consumed. As a result, token consumption is reduced by 92.2% compared to the previously best-performing model. Additionally, by enabling backtracking on the action tree as needed, the correction process becomes more flexible, leading to a 40.5% decrease in error corrections. Project page: https://tree-planner.github.io/

Iterative human engagement is a common and effective means of leveraging the advanced language processing power of large language models (LLMs). Using well-structured prompts in a conversational manner, human users can effectively influence an LLM to develop more thoughtful and accurate responses. Motivated by this insight, we propose the Iteration of Thought (IoT) framework for enhancing LLM responses by generating "thought"-provoking prompts vis a vis an input query and the current iteration of an LLM's response. Unlike static or semi-static approaches, e.g. Chain of Thought (CoT) or Tree of Thoughts (ToT), IoT adapts its reasoning path dynamically, based on evolving context, and without generating alternate explorative thoughts which are ultimately discarded. The three components of the IoT framework are (1) an Inner Dialogue Agent (IDA) responsible for generating instructive, context-specific prompts; (2) an LLM Agent (LLMA) that processes these prompts to refine its responses; and (3) an iterative prompting loop that implements a conversation between the former two components. We introduce two variants of our framework: Autonomous Iteration of Thought (AIoT), where an LLM decides when to stop iterating, and Guided Iteration of Thought (GIoT), which always forces a fixed number iterations. We investigate the performance of IoT across various datasets, spanning complex reasoning tasks from the GPQA dataset, explorative problem-solving in Game of 24, puzzle solving in Mini Crosswords, and multi-hop question answering from the HotpotQA dataset. Our results show that IoT represents a viable paradigm for autonomous response refinement in LLMs, showcasing significant improvements over CoT and thereby enabling more adaptive and efficient reasoning systems that minimize human intervention.

Recent studies show that Large Language Models (LLMs) achieve strong reasoning capabilities through supervised fine-tuning or reinforcement learning. However, a key approach, the Process Reward Model (PRM), suffers from reward hacking, making it unreliable in identifying the best intermediate steps. In this paper, we propose a novel reward model approach, Hierarchical Reward Model (HRM), which evaluates both individual and consecutive reasoning steps from fine-grained and coarse-grained level. HRM performs better in assessing reasoning coherence and self-reflection, particularly when the previous reasoning step is incorrect. Furthermore, to address the inefficiency of autonomous generating PRM training data via Monte Carlo Tree Search (MCTS), we introduce a lightweight and effective data augmentation strategy called Hierarchical Node Compression (HNC) based on node merging (combining two consecutive reasoning steps into one step) in the tree structure. This approach diversifies MCTS results for HRM with negligible computational overhead, enhancing label robustness by introducing noise. Empirical results on the PRM800K dataset demonstrate that HRM, in conjunction with HNC, achieves superior stability and reliability in evaluation compared to PRM. Furthermore, cross-domain evaluations on MATH500 and GSM8K confirm HRM's superior generalization and robustness across diverse reasoning tasks. The code for all experiments will be released at https: //github.com/tengwang0318/hierarchial_reward_model.

In this paper, we introduce a simple training-free technique to improve the performance of drafter-based speculative decoding (SpD) methods that incorporates language modeling head (LM head) during drafting process. A drafter-based speculative decoding leverages one or more smaller language models, a.k.a. drafters or draft models, to sample a draft sequence or tree consisting of multiple tokens, followed by verification by a base LLM, a target model, accepting a subset as its valid generation. As it is usually considered that the speculative decoding requires one-to-one mapping between vocabularies of the target model and the draft model, it has been natural to share the vocabulary between them, or even share the LM head as in EAGLE or Medusa. We first identify that this draft token sampling scheme inherently contains an unnecessary inference overhead in drafting, especially for some target LLMs with very large vocabularies. Then, we propose a simple technique, VocabTrim, to mitigate the drafting overhead to improve the generation speed in memory-bound environment. VocabTrim reconstructs the drafter LM head to contain only a limited set of tokens, selected by the most frequently sampled from the vocabulary of the target model. While limiting the vocabulary in drafting slightly degrades the acceptance rate, it significantly reduces the drafting latency in memory-bound process which is often the case on edge devices, resulting in higher memory-bound speed up (MBSU). We show that our method can boost the memory-bound speed-up for Llama-3 models on Spec-Bench, specifically by 16% for Llama-3.2-3B-Instruct.

Multi-robot coordination has traditionally relied on a mission-specific and expert-driven pipeline, where natural language mission descriptions are manually translated by domain experts into mathematical formulation, algorithm design, and executable code. This conventional process is labor-intensive, inaccessible to non-experts, and inflexible to changes in mission requirements. Here, we propose LAN2CB (Language to Collective Behavior), a novel framework that leverages large language models (LLMs) to streamline and generalize the multi-robot coordination pipeline. LAN2CB transforms natural language (NL) mission descriptions into executable Python code for multi-robot systems through two core modules: (1) Mission Analysis, which parses mission descriptions into behavior trees, and (2) Code Generation, which leverages the behavior tree and a structured knowledge base to generate robot control code. We further introduce a dataset of natural language mission descriptions to support development and benchmarking. Experiments in both simulation and real-world environments demonstrate that LAN2CB enables robust and flexible multi-robot coordination from natural language, significantly reducing manual engineering effort and supporting broad generalization across diverse mission types. Website: https://sites.google.com/view/lan-cb

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

Despite the rise to dominance of deep learning in unstructured data domains, tree-based methods such as Random Forests (RF) and Gradient Boosted Decision Trees (GBDT) are still the workhorses for handling discriminative tasks on tabular data. We explore generative extensions of these popular algorithms with a focus on explicitly modeling the data density (up to a normalization constant), thus enabling other applications besides sampling. As our main contribution we propose an energy-based generative boosting algorithm that is analogous to the second order boosting implemented in popular packages like XGBoost. We show that, despite producing a generative model capable of handling inference tasks over any input variable, our proposed algorithm can achieve similar discriminative performance to GBDT on a number of real world tabular datasets, outperforming alternative generative approaches. At the same time, we show that it is also competitive with neural network based models for sampling.

To address the interpretability challenge in machine learning (ML) systems, counterfactual explanations (CEs) have emerged as a promising solution. CEs are unique as they provide workable suggestions to users, in addition to explaining why a certain outcome was predicted. The application of CEs encounters two main challenges: general user preferences and variable ML systems. User preferences tend to be general rather than specific, and CEs need to be adaptable to variable ML models while maintaining robustness even as these models change. Facing these challenges, we present a solution rooted in validated general user preferences, which are derived from thorough user research. We map these preferences to the properties of CEs. Additionally, we introduce a novel method, Tree-based Conditions Optional Links (T-COL), which incorporates two optional structures and multiple condition groups for generating CEs adaptable to general user preferences. Meanwhile, we employ T-COL to enhance the robustness of CEs with specific conditions, making them more valid even when the ML model is replaced. Our experimental comparisons under different user preferences show that T-COL outperforms all baselines, including Large Language Models which are shown to be able to generate counterfactuals.

The high computational and memory requirements of generative large language models (LLMs) make it challenging to serve them quickly and cheaply. This paper introduces SpecInfer, an LLM serving system that accelerates generative LLM inference with speculative inference and token tree verification. A key insight behind SpecInfer is to combine various collectively boost-tuned small language models to jointly predict the LLM's outputs; the predictions are organized as a token tree, whose nodes each represent a candidate token sequence. The correctness of all candidate token sequences represented by a token tree is verified by the LLM in parallel using a novel tree-based parallel decoding mechanism. SpecInfer uses an LLM as a token tree verifier instead of an incremental decoder, which significantly reduces the end-to-end latency and computational requirement for serving generative LLMs while provably preserving model quality.

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution.

Reinforcement learning (RL) post-training is crucial for aligning generative models with human preferences, but its prohibitive computational cost remains a major barrier to widespread adoption. We introduce TreeGRPO, a novel RL framework that dramatically improves training efficiency by recasting the denoising process as a search tree. From shared initial noise samples, TreeGRPO strategically branches to generate multiple candidate trajectories while efficiently reusing their common prefixes. This tree-structured approach delivers three key advantages: (1) High sample efficiency, achieving better performance under same training samples (2) Fine-grained credit assignment via reward backpropagation that computes step-specific advantages, overcoming the uniform credit assignment limitation of trajectory-based methods, and (3) Amortized computation where multi-child branching enables multiple policy updates per forward pass. Extensive experiments on both diffusion and flow-based models demonstrate that TreeGRPO achieves 2.4times faster training while establishing a superior Pareto frontier in the efficiency-reward trade-off space. Our method consistently outperforms GRPO baselines across multiple benchmarks and reward models, providing a scalable and effective pathway for RL-based visual generative model alignment. The project website is available at treegrpo.github.io.

Machine learning is a promising application of quantum computing, but challenges remain as near-term devices will have a limited number of physical qubits and high error rates. Motivated by the usefulness of tensor networks for machine learning in the classical context, we propose quantum computing approaches to both discriminative and generative learning, with circuits based on tree and matrix product state tensor networks that could have benefits for near-term devices. The result is a unified framework where classical and quantum computing can benefit from the same theoretical and algorithmic developments, and the same model can be trained classically then transferred to the quantum setting for additional optimization. Tensor network circuits can also provide qubit-efficient schemes where, depending on the architecture, the number of physical qubits required scales only logarithmically with, or independently of the input or output data sizes. We demonstrate our proposals with numerical experiments, training a discriminative model to perform handwriting recognition using a optimization procedure that could be carried out on quantum hardware, and testing the noise resilience of the trained model.

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) algorithms. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known SRBench benchmark.

In this paper, we present JADE, a targeted linguistic fuzzing platform which strengthens the linguistic complexity of seed questions to simultaneously and consistently break a wide range of widely-used LLMs categorized in three groups: eight open-sourced Chinese, six commercial Chinese and four commercial English LLMs. JADE generates three safety benchmarks for the three groups of LLMs, which contain unsafe questions that are highly threatening: the questions simultaneously trigger harmful generation of multiple LLMs, with an average unsafe generation ratio of 70% (please see the table below), while are still natural questions, fluent and preserving the core unsafe semantics. We release the benchmark demos generated for commercial English LLMs and open-sourced English LLMs in the following link: https://github.com/whitzard-ai/jade-db. For readers who are interested in evaluating on more questions generated by JADE, please contact us. JADE is based on Noam Chomsky's seminal theory of transformational-generative grammar. Given a seed question with unsafe intention, JADE invokes a sequence of generative and transformational rules to increment the complexity of the syntactic structure of the original question, until the safety guardrail is broken. Our key insight is: Due to the complexity of human language, most of the current best LLMs can hardly recognize the invariant evil from the infinite number of different syntactic structures which form an unbound example space that can never be fully covered. Technically, the generative/transformative rules are constructed by native speakers of the languages, and, once developed, can be used to automatically grow and transform the parse tree of a given question, until the guardrail is broken. For more evaluation results and demo, please check our website: https://whitzard-ai.github.io/jade.html.

Probabilistic circuits (PCs) are a tractable representation of probability distributions allowing for exact and efficient computation of likelihoods and marginals. There has been significant recent progress on improving the scale and expressiveness of PCs. However, PC training performance plateaus as model size increases. We discover that most capacity in existing large PC structures is wasted: fully-connected parameter layers are only sparsely used. We propose two operations: pruning and growing, that exploit the sparsity of PC structures. Specifically, the pruning operation removes unimportant sub-networks of the PC for model compression and comes with theoretical guarantees. The growing operation increases model capacity by increasing the size of the latent space. By alternatingly applying pruning and growing, we increase the capacity that is meaningfully used, allowing us to significantly scale up PC learning. Empirically, our learner achieves state-of-the-art likelihoods on MNIST-family image datasets and on Penn Tree Bank language data compared to other PC learners and less tractable deep generative models such as flow-based models and variational autoencoders (VAEs).