Daily Papers

Transformer-based architectures are widely adopted in sequential recommendation systems, yet their application in Financial Services (FS) presents distinct practical and modeling challenges for real-time recommendation. These include:a) long-range user interactions (implicit and explicit) spanning both digital and physical channels generating temporally heterogeneous context, b) the presence of multiple interrelated products require coordinated models to support varied ad placements and personalized feeds, while balancing competing business goals. We propose FinTRec, a transformer-based framework that addresses these challenges and its operational objectives in FS. While tree-based models have traditionally been preferred in FS due to their explainability and alignment with regulatory requirements, our study demonstrate that FinTRec offers a viable and effective shift toward transformer-based architectures. Through historic simulation and live A/B test correlations, we show FinTRec consistently outperforms the production-grade tree-based baseline. The unified architecture, when fine-tuned for product adaptation, enables cross-product signal sharing, reduces training cost and technical debt, while improving offline performance across all products. To our knowledge, this is the first comprehensive study of unified sequential recommendation modeling in FS that addresses both technical and business considerations.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

Semi-structured tables, widely used in real-world applications (e.g., financial reports, medical records, transactional orders), often involve flexible and complex layouts (e.g., hierarchical headers and merged cells). These tables generally rely on human analysts to interpret table layouts and answer relevant natural language questions, which is costly and inefficient. To automate the procedure, existing methods face significant challenges. First, methods like NL2SQL require converting semi-structured tables into structured ones, which often causes substantial information loss. Second, methods like NL2Code and multi-modal LLM QA struggle to understand the complex layouts of semi-structured tables and cannot accurately answer corresponding questions. To this end, we propose ST-Raptor, a tree-based framework for semi-structured table question answering using large language models. First, we introduce the Hierarchical Orthogonal Tree (HO-Tree), a structural model that captures complex semi-structured table layouts, along with an effective algorithm for constructing the tree. Second, we define a set of basic tree operations to guide LLMs in executing common QA tasks. Given a user question, ST-Raptor decomposes it into simpler sub-questions, generates corresponding tree operation pipelines, and conducts operation-table alignment for accurate pipeline execution. Third, we incorporate a two-stage verification mechanism: forward validation checks the correctness of execution steps, while backward validation evaluates answer reliability by reconstructing queries from predicted answers. To benchmark the performance, we present SSTQA, a dataset of 764 questions over 102 real-world semi-structured tables. Experiments show that ST-Raptor outperforms nine baselines by up to 20% in answer accuracy. The code is available at https://github.com/weAIDB/ST-Raptor.

Diffusion language models (DLMs) have recently emerged as a compelling alternative to autoregressive generation, offering parallel generation and improved global coherence. During inference, DLMs generate text by iteratively denoising masked sequences in parallel; however, determining which positions to unmask and which tokens to commit forms a large combinatorial search problem. Existing inference methods approximate this search using heuristics, which often yield suboptimal decoding paths; other approaches instead rely on additional training to guide token selection. To introduce a principled search mechanism for DLMs inference, we introduce MEDAL, a framework that integrates Monte Carlo Tree SEarch initialization for Diffusion LAnguage Model inference. We employ Monte Carlo Tree Search at the initialization stage to explore promising unmasking trajectories, providing a robust starting point for subsequent refinement. This integration is enabled by restricting the search space to high-confidence actions and prioritizing token choices that improve model confidence over remaining masked positions. Across multiple benchmarks, MEDAL achieves up to 22.0% improvement over existing inference strategies, establishing a new paradigm for search-based inference in diffusion language models.

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.

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.

Large Reasoning Models (LRMs) achieve superior performance by extending the thought length. However, a lengthy thinking trajectory leads to reduced efficiency. Most of the existing methods are stuck in the assumption of overthinking and attempt to reason efficiently by compressing the Chain-of-Thought, but this often leads to performance degradation. To address this problem, we introduce A*-Thought, an efficient tree search-based unified framework designed to identify and isolate the most essential thoughts from the extensive reasoning chains produced by these models. It formulates the reasoning process of LRMs as a search tree, where each node represents a reasoning span in the giant reasoning space. By combining the A* search algorithm with a cost function specific to the reasoning path, it can efficiently compress the chain of thought and determine a reasoning path with high information density and low cost. In addition, we also propose a bidirectional importance estimation mechanism, which further refines this search process and enhances its efficiency beyond uniform sampling. Extensive experiments on several advanced math tasks show that A*-Thought effectively balances performance and efficiency over a huge search space. Specifically, A*-Thought can improve the performance of QwQ-32B by 2.39times with low-budget and reduce the length of the output token by nearly 50% with high-budget. The proposed method is also compatible with several other LRMs, demonstrating its generalization capability. The code can be accessed at: https://github.com/AI9Stars/AStar-Thought.

Automatic tree density estimation and counting using single aerial and satellite images is a challenging task in photogrammetry and remote sensing, yet has an important role in forest management. In this paper, we propose the first semisupervised transformer-based framework for tree counting which reduces the expensive tree annotations for remote sensing images. Our method, termed as TreeFormer, first develops a pyramid tree representation module based on transformer blocks to extract multi-scale features during the encoding stage. Contextual attention-based feature fusion and tree density regressor modules are further designed to utilize the robust features from the encoder to estimate tree density maps in the decoder. Moreover, we propose a pyramid learning strategy that includes local tree density consistency and local tree count ranking losses to utilize unlabeled images into the training process. Finally, the tree counter token is introduced to regulate the network by computing the global tree counts for both labeled and unlabeled images. Our model was evaluated on two benchmark tree counting datasets, Jiangsu, and Yosemite, as well as a new dataset, KCL-London, created by ourselves. Our TreeFormer outperforms the state of the art semi-supervised methods under the same setting and exceeds the fully-supervised methods using the same number of labeled images. The codes and datasets are available at https://github.com/HAAClassic/TreeFormer.

Despite recent rapid progress in AI safety, current large language models remain vulnerable to adversarial attacks in multi-turn interaction settings, where attackers strategically adapt their prompts across conversation turns and pose a more critical yet realistic challenge. Existing approaches that discover safety vulnerabilities either rely on manual red-teaming with human experts or employ automated methods using pre-defined templates and human-curated attack data, with most focusing on single-turn attacks. However, these methods did not explore the vast space of possible multi-turn attacks, failing to consider novel attack trajectories that emerge from complex dialogue dynamics and strategic conversation planning. This gap is particularly critical given recent findings that LLMs exhibit significantly higher vulnerability to multi-turn attacks compared to single-turn attacks. We propose DialTree-RPO, an on-policy reinforcement learning framework integrated with tree search that autonomously discovers diverse multi-turn attack strategies by treating the dialogue as a sequential decision-making problem, enabling systematic exploration without manually curated data. Through extensive experiments, our approach not only achieves more than 25.9% higher ASR across 10 target models compared to previous state-of-the-art approaches, but also effectively uncovers new attack strategies by learning optimal dialogue policies that maximize attack success across multiple turns.

Document structure analysis (aka document layout analysis) is crucial for understanding the physical layout and logical structure of documents, with applications in information retrieval, document summarization, knowledge extraction, etc. In this paper, we concentrate on Hierarchical Document Structure Analysis (HDSA) to explore hierarchical relationships within structured documents created using authoring software employing hierarchical schemas, such as LaTeX, Microsoft Word, and HTML. To comprehensively analyze hierarchical document structures, we propose a tree construction based approach that addresses multiple subtasks concurrently, including page object detection (Detect), reading order prediction of identified objects (Order), and the construction of intended hierarchical structure (Construct). We present an effective end-to-end solution based on this framework to demonstrate its performance. To assess our approach, we develop a comprehensive benchmark called Comp-HRDoc, which evaluates the above subtasks simultaneously. Our end-to-end system achieves state-of-the-art performance on two large-scale document layout analysis datasets (PubLayNet and DocLayNet), a high-quality hierarchical document structure reconstruction dataset (HRDoc), and our Comp-HRDoc benchmark. The Comp-HRDoc benchmark will be released to facilitate further research in this field.

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

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/

Creating a system that can have meaningful conversations with humans to help accomplish tasks is one of the ultimate goals of Artificial Intelligence (AI). It has defined the meaning of AI since the beginning. A lot has been accomplished in this area recently, with voice assistant products entering our daily lives and chat bot systems becoming commonplace in customer service. At first glance there seems to be no shortage of options for dialogue systems. However, the frequently deployed dialogue systems today seem to all struggle with a critical weakness - they are hard to build and harder to maintain. At the core of the struggle is the need to script every single turn of interactions between the bot and the human user. This makes the dialogue systems more difficult to maintain as the tasks become more complex and more tasks are added to the system. In this paper, we propose Converse, a flexible tree-based modular task-oriented dialogue system. Converse uses an and-or tree structure to represent tasks and offers powerful multi-task dialogue management. Converse supports task dependency and task switching, which are unique features compared to other open-source dialogue frameworks. At the same time, Converse aims to make the bot building process easy and simple, for both professional and non-professional software developers. The code is available at https://github.com/salesforce/Converse.

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use mesh-based techniques such as the FFT. To address this, we introduce the Non-Uniform Neural Operator (NUNO), a comprehensive framework designed for efficient operator learning with non-uniform data. Leveraging a K-D tree-based domain decomposition, we transform non-uniform data into uniform grids while effectively controlling interpolation error, thereby paralleling the speed and accuracy of learning from non-uniform data. We conduct extensive experiments on 2D elasticity, (2+1)D channel flow, and a 3D multi-physics heatsink, which, to our knowledge, marks a novel exploration into 3D PDE problems with complex geometries. Our framework has reduced error rates by up to 60% and enhanced training speeds by 2x to 30x. The code is now available at https://github.com/thu-ml/NUNO.

The inference process in Large Language Models (LLMs) is often limited due to the absence of parallelism in the auto-regressive decoding process, resulting in most operations being restricted by the memory bandwidth of accelerators. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa introduces only minimal overhead in terms of single-step latency while substantially reducing the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Large Language Models (LLMs) are increasingly used as autonomous agents for multi-step tasks. However, most existing frameworks fail to maintain a structured understanding of the task state, often relying on linear prompt concatenation or shallow memory buffers. This leads to brittle performance, frequent hallucinations, and poor long-range coherence. In this work, we propose the Task Memory Engine (TME), a lightweight and structured memory module that tracks task execution using a hierarchical Task Memory Tree (TMT). Each node in the tree corresponds to a task step, storing relevant input, output, status, and sub-task relationships. We introduce a prompt synthesis method that dynamically generates LLM prompts based on the active node path, significantly improving execution consistency and contextual grounding. Through case studies and comparative experiments on multi-step agent tasks, we demonstrate that TME leads to better task completion accuracy and more interpretable behavior with minimal implementation overhead. A reference implementation of the core TME components is available at https://github.com/biubiutomato/TME-Agent, including basic examples and structured memory integration. While the current implementation uses a tree-based structure, TME is designed to be graph-aware, supporting reusable substeps, converging task paths, and shared dependencies. This lays the groundwork for future DAG-based memory architectures.

In this paper, we introduce the Tree-of-Thought (ToT) framework, a novel approach aimed at improving the problem-solving capabilities of auto-regressive large language models (LLMs). The ToT technique is inspired by the human mind's approach for solving complex reasoning tasks through trial and error. In this process, the human mind explores the solution space through a tree-like thought process, allowing for backtracking when necessary. To implement ToT as a software system, we augment an LLM with additional modules including a prompter agent, a checker module, a memory module, and a ToT controller. In order to solve a given problem, these modules engage in a multi-round conversation with the LLM. The memory module records the conversation and state history of the problem solving process, which allows the system to backtrack to the previous steps of the thought-process and explore other directions from there. To verify the effectiveness of the proposed technique, we implemented a ToT-based solver for the Sudoku Puzzle. Experimental results show that the ToT framework can significantly increase the success rate of Sudoku puzzle solving. Our implementation of the ToT-based Sudoku solver is available on GitHub: https://github.com/jieyilong/tree-of-thought-puzzle-solver.

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.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

Existing speculative decoding methods typically require additional model structure and training processes to assist the model for draft token generation. This makes the migration of acceleration methods to the new model more costly and more demanding on device memory. To address this problem, we propose the Make Some Noise (MSN) training framework as a replacement for the supervised fine-tuning stage of the large language model. The training method simply introduces some noise at the input for the model to learn the denoising task. It significantly enhances the parallel decoding capability of the model without affecting the original task capability. In addition, we propose a tree-based retrieval-augmented Jacobi (TR-Jacobi) decoding strategy to further improve the inference speed of MSN models. Experiments in both the general and code domains have shown that MSN can improve inference speed by 2.3-2.7x times without compromising model performance. The MSN model also achieves comparable acceleration ratios to the SOTA model with additional model structure on Spec-Bench.

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.

Model-Free Reinforcement Learning (RL) algorithms either learn how to map states to expected rewards or search for policies that can maximize a certain performance function. Model-Based algorithms instead, aim to learn an approximation of the underlying model of the RL environment and then use it in combination with planning algorithms. Upside-Down Reinforcement Learning (UDRL) is a novel learning paradigm that aims to learn how to predict actions from states and desired commands. This task is formulated as a Supervised Learning problem and has successfully been tackled by Neural Networks (NNs). In this paper, we investigate whether function approximation algorithms other than NNs can also be used within a UDRL framework. Our experiments, performed over several popular optimal control benchmarks, show that tree-based methods like Random Forests and Extremely Randomized Trees can perform just as well as NNs with the significant benefit of resulting in policies that are inherently more interpretable than NNs, therefore paving the way for more transparent, safe, and robust RL.

Tabular data underpins decisions across science, industry, and public services. Despite rapid progress, advances in deep learning have not fully carried over to the tabular domain, where gradient-boosted decision trees (GBDTs) remain a default choice in practice. We present iLTM, an integrated Large Tabular Model that unifies tree-derived embeddings, dimensionality-agnostic representations, a meta-trained hypernetwork, multilayer perceptrons (MLPs), and retrieval within a single architecture. Pretrained on more than 1,800 heterogeneous classification datasets, iLTM achieves consistently superior performance across tabular classification and regression tasks, from small datasets to large and high-dimensional tasks. After light fine-tuning, the meta-trained hypernetwork transfers to regression targets, matching or surpassing strong baselines. Extensive experiments show that iLTM outperforms well-tuned GBDTs and leading deep tabular models while requiring less task-specific tuning. By bridging the gap between tree-based and neural methods, iLTM offers a new framework for tabular foundation models for robust, adaptable, and scalable tabular learning.

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

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/

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To address these issues, we propose an LLM-based agent that synergistically integrates 137 external chemical tools created ranging from basic information retrieval to complex reaction predictions, and a dataset curation pipeline to generate the dataset ChemToolBench that facilitates both effective tool selection and precise parameter filling during fine-tuning and evaluation. We introduce a Hierarchical Evolutionary Monte Carlo Tree Search (HE-MCTS) framework, enabling independent optimization of tool planning and execution. By leveraging self-generated data, our approach supports step-level fine-tuning (FT) of the policy model and training task-adaptive PRM and ORM that surpass GPT-4o. Experimental evaluations demonstrate that our approach significantly improves performance in Chemistry QA and discovery tasks, offering a robust solution to integrate specialized tools with LLMs for advanced chemical applications. All datasets and code are available at https://github.com/AI4Chem/ChemistryAgent .

Large language models (LLMs) face significant challenges in specialized biomedical tasks due to the inherent complexity of medical reasoning and the sensitive nature of clinical data. Existing LLMs often struggle with intricate medical terminology and the need for accurate clinical insights, leading to performance reduction when quantized for resource-constrained deployment. To address these issues, we propose Quantized Medical Tree of Thought (QM-ToT), a path-based reasoning framework. QM-ToT leverages a Tree of Thought (ToT) reasoning approach to decompose complex medical problems into manageable subtasks, coupled with evaluator assessment layers. This framework facilitates substantial performance improvements in INT4-quantized models on the challenging MedQAUSMLE dataset. Specifically, we demonstrate a remarkable accuracy increase from 34% to 50% for the LLaMA2-70b model and from 58.77% to 69.49% for LLaMA-3.1-8b. Besides, we also proposed an effect data distillation method based on ToT. Compared to the traditional distillation method, we achieved an improvement of 86. 27% while using only 3.9% of the data.This work, for the first time, showcases the potential of ToT to significantly enhance performance on complex biomedical tasks, establishing a crucial foundation for future advances in deploying high-performing quantized LLM in resource-limited medical settings.

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.

Large Language Models (LLMs) demonstrate remarkable emergent abilities across various tasks, yet fall short of complex reasoning and planning tasks. The tree-search-based reasoning methods address this by surpassing the capabilities of chain-of-thought prompting, encouraging exploration of intermediate steps. However, such methods introduce significant inference latency due to the systematic exploration and evaluation of multiple thought paths. This paper introduces SeeD, a novel and efficient inference framework to optimize runtime speed and GPU memory management concurrently. By employing a scheduled speculative execution, SeeD efficiently handles multiple iterations for the thought generation and the state evaluation, leveraging a rounds-scheduled strategy to manage draft model dispatching. Extensive experimental evaluations on three reasoning datasets demonstrate superior speedup performance of SeeD, providing a viable path for batched inference in training-free speculative decoding.

Iterative refinement has been a promising paradigm to enable large language models (LLMs) to resolve difficult reasoning and problem-solving tasks. One of the key challenges, however, is how to effectively search through the enormous search space of possible refinements. Existing methods typically fall back on predefined heuristics, which are troubled by the exploration-exploitation dilemma and cannot adapt based on past refinement outcomes. We introduce Tree-Guided Policy Refinement (TGPR), a novel framework that combines GRPO with a Thompson-Sampling-based tree search. TGPR explores both failed and successful refinement paths actively, with denser training trajectories and more adaptive policies. On HumanEval, MBPP, and APPS benchmarks, our method achieves up to +4.2 percentage points absolute improvement in pass@1 (on MBPP) and up to +12.51 percentage points absolute improvement in pass@10 (on APPS) compared to a competitive GRPO baseline. Apart from debugging code, TGPR focuses on a principled approach to combining learned policies with structured search methods, offering a general framework for enhancing iterative refinement and stateful reasoning in LLMs.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

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

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.

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, yet their performance is highly dependent on the prompting strategy and model scale. While reinforcement learning and fine-tuning have been deployed to boost reasoning, these approaches incur substantial computational and data overhead. In this work, we introduce Adaptive Graph of Thoughts (AGoT), a dynamic, graph-based inference framework that enhances LLM reasoning solely at test time. Rather than relying on fixed-step methods like Chain of Thought (CoT) or Tree of Thoughts (ToT), AGoT recursively decomposes complex queries into structured subproblems, forming an dynamic directed acyclic graph (DAG) of interdependent reasoning steps. By selectively expanding only those subproblems that require further analysis, AGoT unifies the strengths of chain, tree, and graph paradigms into a cohesive framework that allocates computation where it is most needed. We validate our approach on diverse benchmarks spanning multi-hop retrieval, scientific reasoning, and mathematical problem-solving, achieving up to 46.2% improvement on scientific reasoning tasks (GPQA) - comparable to gains achieved through computationally intensive reinforcement learning approaches and outperforming state-of-the-art iterative approaches. These results suggest that dynamic decomposition and structured recursion offer a scalable, cost-effective alternative to post-training modifications, paving the way for more robust, general-purpose reasoning in LLMs.

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.

Code retrieval is a crucial component in modern software development, particularly in large-scale projects. However, existing approaches relying on sequence-based models often fail to fully exploit the structural dependencies inherent in code, leading to suboptimal retrieval performance, particularly with structurally complex code fragments. In this paper, we introduce GNN-Coder, a novel framework based on Graph Neural Network (GNN) to utilize Abstract Syntax Tree (AST). We make the first attempt to study how GNN-integrated Transformer can promote the development of semantic retrieval tasks by capturing the structural and semantic features of code. We further propose an innovative graph pooling method tailored for AST, utilizing the number of child nodes as a key feature to highlight the intrinsic topological relationships within the AST. This design effectively integrates both sequential and hierarchical representations, enhancing the model's ability to capture code structure and semantics. Additionally, we introduce the Mean Angular Margin (MAM), a novel metric for quantifying the uniformity of code embedding distributions, providing a standardized measure of feature separability. The proposed method achieves a lower MAM, indicating a more discriminative feature representation. This underscores GNN-Coder's superior ability to distinguish between code snippets, thereby enhancing retrieval accuracy. Experimental results show that GNN-Coder significantly boosts retrieval performance, with a 1\%-10\% improvement in MRR on the CSN dataset, and a notable 20\% gain in zero-shot performance on the CosQA dataset.

Large language models (LLMs) have demonstrated impressive capability in reasoning and planning when integrated with tree-search-based prompting methods. However, since these methods ignore the previous search experiences, they often make the same mistakes in the search process. To address this issue, we introduce Reflection on search Trees (RoT), an LLM reflection framework designed to improve the performance of tree-search-based prompting methods. It uses a strong LLM to summarize guidelines from previous tree search experiences to enhance the ability of a weak LLM. The guidelines are instructions about solving this task through tree search which can prevent the weak LLMs from making similar mistakes in the past search process. In addition, we proposed a novel state selection method, which identifies the critical information from historical search processes to help RoT generate more specific and meaningful guidelines. In our extensive experiments, we find that RoT significantly improves the performance of LLMs in reasoning or planning tasks with various tree-search-based prompting methods (e.g., BFS and MCTS). Non-tree-search-based prompting methods such as Chain-of-Thought (CoT) can also benefit from RoT guidelines since RoT can provide task-specific knowledge collected from the search experience.

Despite the success of deep learning for text and image data, tree-based ensemble models are still state-of-the-art for machine learning with heterogeneous tabular data. However, there is a significant need for tabular-specific gradient-based methods due to their high flexibility. In this paper, we propose GRANDE, GRAdieNt-Based Decision Tree Ensembles, a novel approach for learning hard, axis-aligned decision tree ensembles using end-to-end gradient descent. GRANDE is based on a dense representation of tree ensembles, which affords to use backpropagation with a straight-through operator to jointly optimize all model parameters. Our method combines axis-aligned splits, which is a useful inductive bias for tabular data, with the flexibility of gradient-based optimization. Furthermore, we introduce an advanced instance-wise weighting that facilitates learning representations for both, simple and complex relations, within a single model. We conducted an extensive evaluation on a predefined benchmark with 19 classification datasets and demonstrate that our method outperforms existing gradient-boosting and deep learning frameworks on most datasets. The method is available under: https://github.com/s-marton/GRANDE

Decompilation is widely used in reverse engineering to recover high-level language code from binary executables. While recent approaches leveraging Large Language Models (LLMs) have shown promising progress, they typically treat assembly code as a linear sequence of instructions, overlooking arbitrary jump patterns and isolated data segments inherent to binary files. This limitation significantly hinders their ability to correctly infer source code semantics from assembly code. To address this limitation, we propose \saltm, a novel binary decompilation method that abstracts stable logical features shared between binary and source code. The core idea of \saltm is to abstract selected binary-level operations, such as specific jumps, into a high-level logic framework that better guides LLMs in semantic recovery. Given a binary function, \saltm constructs a Source-level Abstract Logic Tree (\salt) from assembly code to approximate the logic structure of high-level language. It then fine-tunes an LLM using the reconstructed \salt to generate decompiled code. Finally, the output is refined through error correction and symbol recovery to improve readability and correctness. We compare \saltm to three categories of baselines (general-purpose LLMs, commercial decompilers, and decompilation methods) using three well-known datasets (Decompile-Eval, MBPP, Exebench). Our experimental results demonstrate that \saltm is highly effective in recovering the logic of the source code, significantly outperforming state-of-the-art methods (e.g., 70.4\% TCP rate on Decompile-Eval with a 10.6\% improvement). The results further validate its robustness against four commonly used obfuscation techniques. Additionally, analyses of real-world software and a user study confirm that our decompiled output offers superior assistance to human analysts in comprehending binary functions.

Urban climate resilience requires more than high-resolution data; it demands systems that embed data collection, interpretation, and action within the daily lives of citizens. This chapter presents a scalable, citizen-centric framework that reimagines environmental infrastructure through participatory sensing, open analytics, and prescriptive urban planning tools. Applied in Pune, India, the framework comprises three interlinked modules: (1) a smartphone-based measurement toolkit enhanced by AI segmentation to extract tree height, canopy diameter, and trunk girth; (2) a percentile-based model using satellite-derived Land Surface Temperature to calculate localized cooling through two new metrics, Cooling Efficacy and Ambient Heat Relief; and (3) an eco-routing engine that guides mobility using a Static Environmental Quality score, based on tree density, species diversity, and cumulative carbon sequestration. Together, these modules form a closed feedback loop where citizens generate actionable data and benefit from personalized, sustainable interventions. This framework transforms open data from a passive repository into an active platform for shared governance and environmental equity. In the face of growing ecological inequality and data centralization, this chapter presents a replicable model for citizen-driven urban intelligence, reframing planning as a co-produced, climate-resilient, and radically local practice.

Industrial-scale recommender systems rely on a cascade pipeline in which the retrieval stage must return a high-recall candidate set from billions of items under tight latency. Existing solutions ei- ther (i) suffer from limited expressiveness in capturing fine-grained user-item interactions, as seen in decoupled dual-tower architectures that rely on separate encoders, or generative models that lack precise target-aware matching capabilities, or (ii) build structured indices (tree, graph, quantization) whose item-centric topologies struggle to incorporate dynamic user preferences and incur prohibitive construction and maintenance costs. We present GRank, a novel structured-index-free retrieval paradigm that seamlessly unifies target-aware learning with user-centric retrieval. Our key innovations include: (1) A target-aware Generator trained to perform personalized candidate generation via GPU-accelerated MIPS, eliminating semantic drift and maintenance costs of structured indexing; (2) A lightweight but powerful Ranker that performs fine-grained, candidate-specific inference on small subsets; (3) An end-to-end multi-task learning framework that ensures semantic consistency between generation and ranking objectives. Extensive experiments on two public benchmarks and a billion-item production corpus demonstrate that GRank improves Recall@500 by over 30% and 1.7times the P99 QPS of state-of-the-art tree- and graph-based retrievers. GRank has been fully deployed in production in our recommendation platform since Q2 2025, serving 400 million active users with 99.95% service availability. Online A/B tests confirm significant improvements in core engagement metrics, with Total App Usage Time increasing by 0.160% in the main app and 0.165% in the Lite version.

LLM agents have emerged as powerful systems for tackling multi-turn tasks by interleaving internal reasoning and external tool interactions. Agentic Reinforcement Learning has recently drawn significant research attention as a critical post-training paradigm to further refine these capabilities. In this paper, we present AT^2PO (Agentic Turn-based Policy Optimization via Tree Search), a unified framework for multi-turn agentic RL that addresses three core challenges: limited exploration diversity, sparse credit assignment, and misaligned policy optimization. AT^2PO introduces a turn-level tree structure that jointly enables Entropy-Guided Tree Expansion for strategic exploration and Turn-wise Credit Assignment for fine-grained reward propagation from sparse outcomes. Complementing this, we propose Agentic Turn-based Policy Optimization, a turn-level learning objective that aligns policy updates with the natural decision granularity of agentic interactions. ATPO is orthogonal to tree search and can be readily integrated into any multi-turn RL pipeline. Experiments across seven benchmarks demonstrate consistent improvements over the state-of-the-art baseline by up to 1.84 percentage points in average, with ablation studies validating the effectiveness of each component. Our code is available at https://github.com/zzfoutofspace/ATPO.

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 large language models (LLMs) have spurred growing interest in automatic theorem proving using Lean4, where effective tree search methods are crucial for navigating proof search spaces. While the existing approaches primarily rely on value functions and Monte Carlo Tree Search (MCTS), the potential of simpler methods like Best-First Search (BFS) remains underexplored. This paper investigates whether BFS can achieve competitive performance in large-scale theorem proving tasks. We present BFS-Prover, a scalable expert iteration framework, featuring three key innovations. First, we implement strategic data filtering at each expert iteration round, excluding problems solvable via beam search node expansion to focus on harder cases. Second, we improve the sample efficiency of BFS through Direct Preference Optimization (DPO) applied to state-tactic pairs automatically annotated with compiler error feedback, refining the LLM's policy to prioritize productive expansions. Third, we employ length normalization in BFS to encourage exploration of deeper proof paths. BFS-Prover achieves a score of 71.31 on the MiniF2F test set and therefore challenges the perceived necessity of complex tree search methods, demonstrating that BFS can achieve competitive performance when properly scaled.

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.

Recent advances in large language models have demonstrated considerable potential in scientific domains such as drug repositioning. However, their effectiveness remains constrained when reasoning extends beyond the knowledge acquired during pretraining. Conventional approaches, such as fine-tuning or retrieval-augmented generation, face limitations in either imposing high computational overhead or failing to fully exploit structured scientific data. To overcome these challenges, we propose DrugMCTS, a novel framework that synergistically integrates RAG, multi-agent collaboration, and Monte Carlo Tree Search for drug repositioning. The framework employs five specialized agents tasked with retrieving and analyzing molecular and protein information, thereby enabling structured and iterative reasoning. Extensive experiments on the DrugBank and KIBA datasets demonstrate that DrugMCTS achieves substantially higher recall and robustness compared to both general-purpose LLMs and deep learning baselines. Our results highlight the importance of structured reasoning, agent-based collaboration, and feedback-driven search mechanisms in advancing LLM applications for drug repositioning.

There has been a surge in the use of large language models (LLM) conversational agents to generate responses based on long-term history from multiple sessions. However, existing long-term open-domain dialogue datasets lack complex, real-world personalization and fail to capture implicit reasoning-where relevant information is embedded in subtle, syntactic, or semantically distant connections rather than explicit statements. In such cases, traditional retrieval methods fail to capture relevant context, and long-context modeling also becomes inefficient due to numerous complicated persona-related details. To address this gap, we introduce ImplexConv, a large-scale long-term dataset with 2,500 examples, each containing approximately 100 conversation sessions, designed to study implicit reasoning in personalized dialogues. Additionally, we propose TaciTree, a novel hierarchical tree framework that structures conversation history into multiple levels of summarization. Instead of brute-force searching all data, TaciTree enables an efficient, level-based retrieval process where models refine their search by progressively selecting relevant details. Our experiments demonstrate that TaciTree significantly improves the ability of LLMs to reason over long-term conversations with implicit contextual dependencies.

Tree search has become as a representative framework for test-time reasoning with large language models (LLMs), exemplified by methods such as Tree-of-Thought and Monte Carlo Tree Search that explore multiple reasoning paths. However, it remains difficult to provide instant and reliable quantitative assessments of intermediate reasoning step quality, and extensive path exploration is computationally costly. To address this, we propose Mutual Information Tree Search (MITS), a novel framework that guides reasoning with information-theoretic principles. MITS introduces an effective scoring function based on pointwise mutual information (PMI), which enables step-wise evaluation of reasoning paths and search tree expansion via beam search without expensive look-ahead simulations, achieving superior reasoning performances while maintaining computational efficiency. The framework is complemented by an entropy-based dynamic sampling strategy that adaptively allocates computational resources to uncertain reasoning steps where exploration is most beneficial. For final prediction, MITS employs a weighted voting scheme that combines PMI scores with prediction consensus. Through comprehensive experiments on diverse reasoning benchmarks, MITS consistently surpasses baseline methods, establishing a principled and efficient framework for LLM reasoning.

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.

Benefiting from the powerful capabilities of large language models (LLMs), agents based on LLMs have shown the potential to address domain-specific tasks and emulate human behaviors. However, the content generated by these agents remains somewhat superficial, owing to their limited domain expertise and the absence of an effective cognitive architecture. To address this, we present the Configurable General Multi-Agent Interaction (CGMI) framework, designed to replicate human interactions in real-world scenarios. Specifically, we propose a tree-structured methodology for the assignment, detection, and maintenance of agent personality. Additionally, we designed a cognitive architecture equipped with a skill library based on the ACT* model, which contains memory, reflection, and planning modules. We have also integrated general agents to augment the virtual environment's realism. Using the CGMI framework, we simulated numerous classroom interactions between teacher and students. The experiments indicate that aspects such as the teaching methodology, curriculum, and student performance closely mirror real classroom settings. We will open source our work.

LLM-based agents often operate in a greedy, step-by-step manner, selecting actions solely based on the current observation without considering long-term consequences or alternative paths. This lack of foresight is particularly problematic in web environments, which are only partially observable-limited to browser-visible content (e.g., DOM and UI elements)-where a single misstep often requires complex and brittle navigation to undo. Without an explicit backtracking mechanism, agents struggle to correct errors or systematically explore alternative paths. Tree-search methods provide a principled framework for such structured exploration, but existing approaches lack mechanisms for safe backtracking, making them prone to unintended side effects. They also assume that all actions are reversible, ignoring the presence of irreversible actions-limitations that reduce their effectiveness in realistic web tasks. To address these challenges, we introduce WebOperator, a tree-search framework that enables reliable backtracking and strategic exploration. Our method incorporates a best-first search strategy that ranks actions by both reward estimates and safety considerations, along with a robust backtracking mechanism that verifies the feasibility of previously visited paths before replaying them, preventing unintended side effects. To further guide exploration, WebOperator generates action candidates from multiple, varied reasoning contexts to ensure diverse and robust exploration, and subsequently curates a high-quality action set by filtering out invalid actions pre-execution and merging semantically equivalent ones. Experimental results on WebArena and WebVoyager demonstrate the effectiveness of WebOperator. On WebArena, WebOperator achieves a state-of-the-art 54.6% success rate with gpt-4o, underscoring the critical advantage of integrating strategic foresight with safe execution.

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 introduce LiteWebAgent, an open-source suite for VLM-based web agent applications. Our framework addresses a critical gap in the web agent ecosystem with a production-ready solution that combines minimal serverless backend configuration, intuitive user and browser interfaces, and extensible research capabilities in agent planning, memory, and tree search. For the core LiteWebAgent agent framework, we implemented a simple yet effective baseline using recursive function calling, providing with decoupled action generation and action grounding. In addition, we integrate advanced research components such as agent planning, agent workflow memory, and tree search in a modular and extensible manner. We then integrate the LiteWebAgent agent framework with frontend and backend as deployed systems in two formats: (1) a production Vercel-based web application, which provides users with an agent-controlled remote browser, (2) a Chrome extension leveraging LiteWebAgent's API to control an existing Chrome browser via CDP (Chrome DevTools Protocol). The LiteWebAgent framework is available at https://github.com/PathOnAI/LiteWebAgent, with deployed frontend at https://lite-web-agent.vercel.app/.

The integration of Large Language Models (LLMs) into automated theorem proving has shown immense promise, yet is fundamentally constrained by challenges in scaling up both training-time reinforcement learning (RL) and inference-time compute. This paper introduces BFS-Prover-V2, a system designed to address this dual scaling problem. We present two primary innovations. The first is a novel multi-turn off-policy RL framework for continually improving the performance of LLM step-prover at training time. This framework, inspired by the principles of AlphaZero, utilizes a multi-stage expert iteration pipeline featuring adaptive tactic-level data filtering and periodic retraining to surmount the performance plateaus that typically curtail long-term RL in LLM-based agents. The second innovation is a planner-enhanced multi-agent search architecture that scales reasoning capabilities at inference time. This architecture employs a general reasoning model as a high-level planner to iteratively decompose complex theorems into a sequence of simpler subgoals. This hierarchical approach substantially reduces the search space, enabling a team of parallel prover agents to collaborate efficiently by leveraging a shared proof cache. We demonstrate that this dual approach to scaling yields state-of-the-art results on established formal mathematics benchmarks. BFS-Prover-V2 achieves 95.08\% and 41.4\% on the MiniF2F and ProofNet test sets respectively. While demonstrated in the domain of formal mathematics, the RL and inference techniques presented in this work are of broader interest and may be applied to other domains requiring long-horizon multi-turn reasoning and complex search.

Table of contents (ToC) extraction centres on structuring documents in a hierarchical manner. In this paper, we propose a new dataset, ESGDoc, comprising 1,093 ESG annual reports from 563 companies spanning from 2001 to 2022. These reports pose significant challenges due to their diverse structures and extensive length. To address these challenges, we propose a new framework for Toc extraction, consisting of three steps: (1) Constructing an initial tree of text blocks based on reading order and font sizes; (2) Modelling each tree node (or text block) independently by considering its contextual information captured in node-centric subtree; (3) Modifying the original tree by taking appropriate action on each tree node (Keep, Delete, or Move). This construction-modelling-modification (CMM) process offers several benefits. It eliminates the need for pairwise modelling of section headings as in previous approaches, making document segmentation practically feasible. By incorporating structured information, each section heading can leverage both local and long-distance context relevant to itself. Experimental results show that our approach outperforms the previous state-of-the-art baseline with a fraction of running time. Our framework proves its scalability by effectively handling documents of any length.

Ensuring that Software Requirements Specifications (SRS) align with higher-level organizational or national requirements is vital, particularly in regulated environments such as finance and aerospace. In these domains, maintaining consistency, adhering to regulatory frameworks, minimizing errors, and meeting critical expectations are essential for the reliable functioning of systems. The widespread adoption of large language models (LLMs) highlights their immense potential, yet there remains considerable scope for improvement in retrieving relevant information and enhancing reasoning capabilities. This study demonstrates that integrating a robust Graph-RAG framework with advanced prompt engineering techniques, such as Chain of Thought and Tree of Thought, can significantly enhance performance. Compared to baseline RAG methods and simple prompting strategies, this approach delivers more accurate and context-aware results. While this method demonstrates significant improvements in performance, it comes with challenges. It is both costly and more complex to implement across diverse contexts, requiring careful adaptation to specific scenarios. Additionally, its effectiveness heavily relies on having complete and accurate input data, which may not always be readily available, posing further limitations to its scalability and practicality.

The segmentation of forest LiDAR 3D point clouds, including both individual tree and semantic segmentation, is fundamental for advancing forest management and ecological research. However, current approaches often struggle with the complexity and variability of natural forest environments. We present ForestFormer3D, a new unified and end-to-end framework designed for precise individual tree and semantic segmentation. ForestFormer3D incorporates ISA-guided query point selection, a score-based block merging strategy during inference, and a one-to-many association mechanism for effective training. By combining these new components, our model achieves state-of-the-art performance for individual tree segmentation on the newly introduced FOR-instanceV2 dataset, which spans diverse forest types and regions. Additionally, ForestFormer3D generalizes well to unseen test sets (Wytham woods and LAUTx), showcasing its robustness across different forest conditions and sensor modalities. The FOR-instanceV2 dataset and the ForestFormer3D code are publicly available at https://bxiang233.github.io/FF3D/.

Large language models (LLMs) demonstrate significant reasoning capabilities, particularly through long chain-of-thought (CoT) processes, which can be elicited by reinforcement learning (RL). However, prolonged CoT reasoning presents limitations, primarily verbose outputs due to excessive introspection. The reasoning process in these LLMs often appears to follow a trial-and-error methodology rather than a systematic, logical deduction. In contrast, tree-of-thoughts (ToT) offers a conceptually more advanced approach by modeling reasoning as an exploration within a tree structure. This reasoning structure facilitates the parallel generation and evaluation of multiple reasoning branches, allowing for the active identification, assessment, and pruning of unproductive paths. This process can potentially lead to improved performance and reduced token costs. Building upon the long CoT capability of LLMs, we introduce tree-of-thoughts RL (ToTRL), a novel on-policy RL framework with a rule-based reward. ToTRL is designed to guide LLMs in developing the parallel ToT strategy based on the sequential CoT strategy. Furthermore, we employ LLMs as players in a puzzle game during the ToTRL training process. Solving puzzle games inherently necessitates exploring interdependent choices and managing multiple constraints, which requires the construction and exploration of a thought tree, providing challenging tasks for cultivating the ToT reasoning capability. Our empirical evaluations demonstrate that our ToTQwen3-8B model, trained with our ToTRL, achieves significant improvement in performance and reasoning efficiency on complex reasoning tasks.

Text-to-SQL, which enables natural language interaction with databases, serves as a pivotal method across diverse industries. With new, more powerful large language models (LLMs) emerging every few months, fine-tuning has become incredibly costly, labor-intensive, and error-prone. As an alternative, zero-shot Text-to-SQL, which leverages the growing knowledge and reasoning capabilities encoded in LLMs without task-specific fine-tuning, presents a promising and more challenging direction. To address this challenge, we propose Alpha-SQL, a novel approach that leverages a Monte Carlo Tree Search (MCTS) framework to iteratively infer SQL construction actions based on partial SQL query states. To enhance the framework's reasoning capabilities, we introduce LLM-as-Action-Model to dynamically generate SQL construction actions during the MCTS process, steering the search toward more promising SQL queries. Moreover, Alpha-SQL employs a self-supervised reward function to evaluate the quality of candidate SQL queries, ensuring more accurate and efficient query generation. Experimental results show that Alpha-SQL achieves 69.7% execution accuracy on the BIRD development set, using a 32B open-source LLM without fine-tuning. Alpha-SQL outperforms the best previous zero-shot approach based on GPT-4o by 2.5% on the BIRD development set.

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.

This work introduces RARE (Retrieval-Augmented Reasoning Enhancement), a versatile extension to the mutual reasoning framework (rStar), aimed at enhancing reasoning accuracy and factual integrity across large language models (LLMs) for complex, knowledge-intensive tasks such as commonsense and medical reasoning. RARE incorporates two innovative actions within the Monte Carlo Tree Search (MCTS) framework: A6, which generates search queries based on the initial problem statement, performs information retrieval using those queries, and augments reasoning with the retrieved data to formulate the final answer; and A7, which leverages information retrieval specifically for generated sub-questions and re-answers these sub-questions with the relevant contextual information. Additionally, a Retrieval-Augmented Factuality Scorer is proposed to replace the original discriminator, prioritizing reasoning paths that meet high standards of factuality. Experimental results with LLaMA 3.1 show that RARE enables open-source LLMs to achieve competitive performance with top open-source models like GPT-4 and GPT-4o. This research establishes RARE as a scalable solution for improving LLMs in domains where logical coherence and factual integrity are critical.

Test-time scaling has emerged as a promising paradigm in language modeling, leveraging additional computational resources at inference time to enhance model performance. In this work, we introduce R2-LLMs, a novel and versatile hierarchical retrieval-augmented reasoning framework designed to improve test-time scaling in large language models (LLMs) without requiring distillation from more advanced models to obtain chain-of-thought (CoT) training data. R2-LLMs enhances inference-time generalization by integrating dual-level retrieval-based in-context learning: (1) At the coarse level, our approach extracts abstract templates from complex reasoning problems and retrieves similar problem-answer pairs to facilitate high-level in-context learning; (2) At the fine level, during Monte Carlo Tree Search (MCTS), R2-LLMs efficiently retrieves analogous intermediate solution steps from reference mathematical problem datasets, refining step-wise reasoning with the aid of a process reward model (PRM) for scoring. R2-LLMs is a robust hierarchical reasoning-augmentation method that enhances in-context-level reasoning while seamlessly integrating with step-level tree search methods. Utilizing PRM, it refines both candidate generation and decision-making for improved reasoning accuracy. Empirical evaluations on the MATH500, GSM8K, and OlympiadBench-TO datasets achieve substantial relative improvement with an increase of up to 16% using LLaMA-3.1-8B compared to the baselines, showcasing the effectiveness of our approach in complex reasoning tasks.

Existing table understanding methods face challenges due to complex table structures and intricate logical reasoning. While supervised finetuning (SFT) dominates existing research, reinforcement learning (RL), such as Group Relative Policy Optimization (GRPO), has shown promise but struggled with low initial policy accuracy and coarse rewards in tabular contexts. In this paper, we introduce Table-R1, a three-stage RL framework that enhances multimodal table understanding through: (1) Warm-up that prompts initial perception and reasoning capabilities, (2) Perception Alignment GRPO (PA-GRPO), which employs continuous Tree-Edit-Distance Similarity (TEDS) rewards for recognizing table structures and contents, and (3) Hint-Completion GRPO (HC-GRPO), which utilizes fine-grained rewards of residual steps based on the hint-guided question. Extensive experiments demonstrate that Table-R1 can boost the model's table reasoning performance obviously on both held-in and held-out datasets, outperforming SFT and GRPO largely. Notably, Qwen2-VL-7B with Table-R1 surpasses larger specific table understanding models (e.g., Table-LLaVA 13B), even achieving comparable performance to the closed-source model GPT-4o on held-in datasets, demonstrating the efficacy of each stage of Table-R1 in overcoming initialization bottlenecks and reward sparsity, thereby advancing robust multimodal table understanding.

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.

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.

A heuristic extending the Squarified Treemap technique for the representation of hierarchical information as treemaps is presented. The original technique gives high quality treemap views, since items are laid out with rectangles that approximate squares, allowing easy comparison and selection operations. New key steps, with a low computational impact, have been introduced to yield treemaps with even better aspect ratios and higher homogeneity among items.

Recent advancements in Large Vision Language Models (LVLMs) have significantly improved performance in Visual Question Answering (VQA) tasks through multimodal Retrieval-Augmented Generation (RAG). However, existing methods still face challenges, such as the scarcity of knowledge with reasoning examples and erratic responses from retrieved knowledge. To address these issues, in this study, we propose a multimodal RAG framework, termed RCTS, which enhances LVLMs by constructing a Reasoning Context-enriched knowledge base and a Tree Search re-ranking method. Specifically, we introduce a self-consistent evaluation mechanism to enrich the knowledge base with intrinsic reasoning patterns. We further propose a Monte Carlo Tree Search with Heuristic Rewards (MCTS-HR) to prioritize the most relevant examples. This ensures that LVLMs can leverage high-quality contextual reasoning for better and more consistent responses. Extensive experiments demonstrate that our framework achieves state-of-the-art performance on multiple VQA datasets, significantly outperforming In-Context Learning (ICL) and Vanilla-RAG methods. It highlights the effectiveness of our knowledge base and re-ranking method in improving LVLMs. Our code is available at https://github.com/yannqi/RCTS-RAG.

Large language models (LLMs) remain vulnerable to jailbreak attacks that bypass safety guardrails to elicit harmful outputs. Existing approaches overwhelmingly operate within the prompt-optimization paradigm: whether through traditional algorithmic search or recent agent-based workflows, the resulting prompts typically retain malicious semantic signals that modern guardrails are primed to detect. In contrast, we identify a deeper, largely overlooked vulnerability stemming from the highly interconnected nature of an LLM's internal knowledge. This structure allows harmful objectives to be realized by weaving together sequences of benign sub-queries, each of which individually evades detection. To exploit this loophole, we introduce the Correlated Knowledge Attack Agent (CKA-Agent), a dynamic framework that reframes jailbreaking as an adaptive, tree-structured exploration of the target model's knowledge base. The CKA-Agent issues locally innocuous queries, uses model responses to guide exploration across multiple paths, and ultimately assembles the aggregated information to achieve the original harmful objective. Evaluated across state-of-the-art commercial LLMs (Gemini2.5-Flash/Pro, GPT-oss-120B, Claude-Haiku-4.5), CKA-Agent consistently achieves over 95% success rates even against strong guardrails, underscoring the severity of this vulnerability and the urgent need for defenses against such knowledge-decomposition attacks. Our codes are available at https://github.com/Graph-COM/CKA-Agent.

Recent research suggests that tree search algorithms (e.g. Monte Carlo Tree Search) can dramatically boost LLM performance on complex mathematical reasoning tasks. However, they often require more than 10 times the computational resources of greedy decoding due to wasteful search strategies, making them difficult to be deployed in practical applications. This study introduces a novel guided tree search algorithm with dynamic node selection and node-level exploration budget (maximum number of children) calculation to tackle this issue. By considering the search progress towards the final answer (history) and the guidance from a value network (future) trained without any step-wise annotations, our algorithm iteratively selects the most promising tree node before expanding it within the boundaries of the allocated computational budget. Experiments conducted on the GSM8K and TabMWP datasets demonstrate that our approach not only offers competitive performance but also enjoys significantly lower computational costs compared to baseline methods.

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.

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

Large Language Models (LLMs) are accelerating scientific idea generation, but rigorously evaluating these numerous, often superficial, AI-generated propositions for novelty and factual accuracy is a critical bottleneck; manual verification is too slow. Existing validation methods are inadequate: LLMs as standalone verifiers may hallucinate and lack domain knowledge (our findings show 60% unawareness of relevant papers in specific domains), while traditional citation networks lack explicit causality and narrative surveys are unstructured. This underscores a core challenge: the absence of structured, verifiable, and causally-linked historical data of scientific evolution.To address this,we introduce THE-Tree (Technology History Evolution Tree), a computational framework that constructs such domain-specific evolution trees from scientific literature. THE-Tree employs a search algorithm to explore evolutionary paths. During its node expansion, it utilizes a novel "Think-Verbalize-Cite-Verify" process: an LLM proposes potential advancements and cites supporting literature. Critically, each proposed evolutionary link is then validated for logical coherence and evidential support by a recovered natural language inference mechanism that interrogates the cited literature, ensuring that each step is grounded. We construct and validate 88 THE-Trees across diverse domains and release a benchmark dataset including up to 71k fact verifications covering 27k papers to foster further research. Experiments demonstrate that i) in graph completion, our THE-Tree improves hit@1 by 8% to 14% across multiple models compared to traditional citation networks; ii) for predicting future scientific developments, it improves hit@1 metric by nearly 10%; and iii) when combined with other methods, it boosts the performance of evaluating important scientific papers by almost 100%.

In natural language processing (NLP), lexical function is a concept to unambiguously represent semantic and syntactic features of words and phrases in text first crafted in the Meaning-Text Theory. Hierarchical classification of lexical functions involves organizing these features into a tree-like hierarchy of categories or labels. This is a challenging task as it requires a good understanding of the context and the relationships among words and phrases in text. It also needs large amounts of labeled data to train language models effectively. In this paper, we present a dataset of most frequent Spanish verb-noun collocations and sentences where they occur, each collocation is assigned to one of 37 lexical functions defined as classes for a hierarchical classification task. Each class represents a relation between the noun and the verb in a collocation involving their semantic and syntactic features. We combine the classes in a tree-based structure, and introduce classification objectives for each level of the structure. The dataset was created by dependency tree parsing and matching of the phrases in Spanish news. We provide baselines and data splits for each objective.

Taxonomy is a hierarchically structured knowledge graph that plays a crucial role in machine intelligence. The taxonomy expansion task aims to find a position for a new term in an existing taxonomy to capture the emerging knowledge in the world and keep the taxonomy dynamically updated. Previous taxonomy expansion solutions neglect valuable information brought by the hierarchical structure and evaluate the correctness of merely an added edge, which downgrade the problem to node-pair scoring or mini-path classification. In this paper, we propose the Hierarchy Expansion Framework (HEF), which fully exploits the hierarchical structure's properties to maximize the coherence of expanded taxonomy. HEF makes use of taxonomy's hierarchical structure in multiple aspects: i) HEF utilizes subtrees containing most relevant nodes as self-supervision data for a complete comparison of parental and sibling relations; ii) HEF adopts a coherence modeling module to evaluate the coherence of a taxonomy's subtree by integrating hypernymy relation detection and several tree-exclusive features; iii) HEF introduces the Fitting Score for position selection, which explicitly evaluates both path and level selections and takes full advantage of parental relations to interchange information for disambiguation and self-correction. Extensive experiments show that by better exploiting the hierarchical structure and optimizing taxonomy's coherence, HEF vastly surpasses the prior state-of-the-art on three benchmark datasets by an average improvement of 46.7% in accuracy and 32.3% in mean reciprocal rank.

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.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

In this paper we introduce the olog, or ontology log, a category-theoretic model for knowledge representation (KR). Grounded in formal mathematics, ologs can be rigorously formulated and cross-compared in ways that other KR models (such as semantic networks) cannot. An olog is similar to a relational database schema; in fact an olog can serve as a data repository if desired. Unlike database schemas, which are generally difficult to create or modify, ologs are designed to be user-friendly enough that authoring or reconfiguring an olog is a matter of course rather than a difficult chore. It is hoped that learning to author ologs is much simpler than learning a database definition language, despite their similarity. We describe ologs carefully and illustrate with many examples. As an application we show that any primitive recursive function can be described by an olog. We also show that ologs can be aligned or connected together into a larger network using functors. The various methods of information flow and institutions can then be used to integrate local and global world-views. We finish by providing several different avenues for future research.

This paper presents UD-NewsCrawl, the largest Tagalog treebank to date, containing 15.6k trees manually annotated according to the Universal Dependencies framework. We detail our treebank development process, including data collection, pre-processing, manual annotation, and quality assurance procedures. We provide baseline evaluations using multiple transformer-based models to assess the performance of state-of-the-art dependency parsers on Tagalog. We also highlight challenges in the syntactic analysis of Tagalog given its distinctive grammatical properties, and discuss its implications for the annotation of this treebank. We anticipate that UD-NewsCrawl and our baseline model implementations will serve as valuable resources for advancing computational linguistics research in underrepresented languages like Tagalog.

In the field of language modeling, models augmented with retrieval components have emerged as a promising solution to address several challenges faced in the natural language processing (NLP) field, including knowledge grounding, interpretability, and scalability. Despite the primary focus on NLP, we posit that the paradigm of retrieval-enhancement can be extended to a broader spectrum of machine learning (ML) such as computer vision, time series prediction, and computational biology. Therefore, this work introduces a formal framework of this paradigm, Retrieval-Enhanced Machine Learning (REML), by synthesizing the literature in various domains in ML with consistent notations which is missing from the current literature. Also, we found that while a number of studies employ retrieval components to augment their models, there is a lack of integration with foundational Information Retrieval (IR) research. We bridge this gap between the seminal IR research and contemporary REML studies by investigating each component that comprises the REML framework. Ultimately, the goal of this work is to equip researchers across various disciplines with a comprehensive, formally structured framework of retrieval-enhanced models, thereby fostering interdisciplinary future research.

The chain-structured long short-term memory (LSTM) has showed to be effective in a wide range of problems such as speech recognition and machine translation. In this paper, we propose to extend it to tree structures, in which a memory cell can reflect the history memories of multiple child cells or multiple descendant cells in a recursive process. We call the model S-LSTM, which provides a principled way of considering long-distance interaction over hierarchies, e.g., language or image parse structures. We leverage the models for semantic composition to understand the meaning of text, a fundamental problem in natural language understanding, and show that it outperforms a state-of-the-art recursive model by replacing its composition layers with the S-LSTM memory blocks. We also show that utilizing the given structures is helpful in achieving a performance better than that without considering the structures.

The cycle of scientific discovery is frequently bottlenecked by the slow, manual creation of software to support computational experiments. To address this, we present an AI system that creates expert-level scientific software whose goal is to maximize a quality metric. The system uses a Large Language Model (LLM) and Tree Search (TS) to systematically improve the quality metric and intelligently navigate the large space of possible solutions. The system achieves expert-level results when it explores and integrates complex research ideas from external sources. The effectiveness of tree search is demonstrated across a wide range of benchmarks. In bioinformatics, it discovered 40 novel methods for single-cell data analysis that outperformed the top human-developed methods on a public leaderboard. In epidemiology, it generated 14 models that outperformed the CDC ensemble and all other individual models for forecasting COVID-19 hospitalizations. Our method also produced state-of-the-art software for geospatial analysis, neural activity prediction in zebrafish, time series forecasting and numerical solution of integrals. By devising and implementing novel solutions to diverse tasks, the system represents a significant step towards accelerating scientific progress.

Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results on many machine learning challenges. We propose a novel sparsity-aware algorithm for sparse data and weighted quantile sketch for approximate tree learning. More importantly, we provide insights on cache access patterns, data compression and sharding to build a scalable tree boosting system. By combining these insights, XGBoost scales beyond billions of examples using far fewer resources than existing systems.

Large Language Models (LLM) have shown remarkable language capabilities fueling attempts to integrate them into applications across a wide range of domains. An important application area is question answering over private enterprise documents where the main considerations are data security, which necessitates applications that can be deployed on-prem, limited computational resources and the need for a robust application that correctly responds to queries. Retrieval-Augmented Generation (RAG) has emerged as the most prominent framework for building LLM-based applications. While building a RAG is relatively straightforward, making it robust and a reliable application requires extensive customization and relatively deep knowledge of the application domain. We share our experiences building and deploying an LLM application for question answering over private organizational documents. Our application combines the use of RAG with a finetuned open-source LLM. Additionally, our system, which we call Tree-RAG (T-RAG), uses a tree structure to represent entity hierarchies within the organization. This is used to generate a textual description to augment the context when responding to user queries pertaining to entities within the organization's hierarchy. Our evaluations show that this combination performs better than a simple RAG or finetuning implementation. Finally, we share some lessons learned based on our experiences building an LLM application for real-world use.

Large language models (LLMs) typically employ sampling or beam search, accompanied by prompts such as Chain-of-Thought (CoT), to boost reasoning and decoding ability. Recent work like Tree-of-Thought (ToT) and Reasoning via Planning (RAP) aim to augment the reasoning capabilities of LLMs by utilizing tree-search algorithms to guide multi-step reasoning. These methods mainly focus on LLMs' reasoning ability during inference and heavily rely on human-designed prompts to activate LLM as a value function, which lacks general applicability and scalability. To address these limitations, we present an AlphaZero-like tree-search framework for LLMs (termed TS-LLM), systematically illustrating how tree-search with a learned value function can guide LLMs' decoding ability. TS-LLM distinguishes itself in two key ways: (1) Leveraging a learned value function, our approach can be generally applied to different tasks beyond reasoning (such as RLHF alignment), and LLMs of any size, without prompting advanced, large-scale models. (2) It can guide LLM's decoding during both inference and training. Empirical evaluations across reasoning, planning, and RLHF alignment tasks validate the effectiveness of TS-LLM, even on trees with a depth of 64.

Reinforcement learning (RL) with tree search has demonstrated superior performance in traditional reasoning tasks. Compared to conventional independent chain sampling strategies with outcome supervision, tree search enables better exploration of the reasoning space and provides dense, on-policy process rewards during RL training but remains under-explored in On-Policy LLM RL. We propose TreeRL, a reinforcement learning framework that directly incorporates on-policy tree search for RL training. Our approach includes intermediate supervision and eliminates the need for a separate reward model training. Existing approaches typically train a separate process reward model, which can suffer from distribution mismatch and reward hacking. We also introduce a cost-effective tree search approach that achieves higher search efficiency under the same generation token budget by strategically branching from high-uncertainty intermediate steps rather than using random branching. Experiments on challenging math and code reasoning benchmarks demonstrate that TreeRL achieves superior performance compared to traditional ChainRL, highlighting the potential of tree search for LLM. TreeRL is open-sourced at https://github.com/THUDM/TreeRL.

Recently, test-time scaling has garnered significant attention from the research community, largely due to the substantial advancements of the o1 model released by OpenAI. By allocating more computational resources during the inference phase, large language models~(LLMs) can extensively explore the solution space by generating more thought tokens or diverse solutions, thereby producing more accurate responses. However, developing an o1-like reasoning approach is challenging, and researchers have been making various attempts to advance this open area of research. In this paper, we present a preliminary exploration into enhancing the reasoning abilities of LLMs through reward-guided tree search algorithms. This framework is implemented by integrating the policy model, reward model, and search algorithm. It is primarily constructed around a tree search algorithm, where the policy model navigates a dynamically expanding tree guided by a specially trained reward model. We thoroughly explore various design considerations necessary for implementing this framework and provide a detailed report of the technical aspects. To assess the effectiveness of our approach, we focus on mathematical reasoning tasks and conduct extensive evaluations on four challenging datasets, significantly enhancing the reasoning abilities of LLMs.

Semantic role labeling (SRL) is a fundamental yet challenging task in the NLP community. Recent works of SRL mainly fall into two lines: 1) BIO-based; 2) span-based. Despite ubiquity, they share some intrinsic drawbacks of not considering internal argument structures, potentially hindering the model's expressiveness. The key challenge is arguments are flat structures, and there are no determined subtree realizations for words inside arguments. To remedy this, in this paper, we propose to regard flat argument spans as latent subtrees, accordingly reducing SRL to a tree parsing task. In particular, we equip our formulation with a novel span-constrained TreeCRF to make tree structures span-aware and further extend it to the second-order case. We conduct extensive experiments on CoNLL05 and CoNLL12 benchmarks. Results reveal that our methods perform favorably better than all previous syntax-agnostic works, achieving new state-of-the-art under both end-to-end and w/ gold predicates settings.

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.

Engineering efficient implementations of compact and succinct structures is a time-consuming and challenging task, since there is no standard library of easy-to- use, highly optimized, and composable components. One consequence is that measuring the practical impact of new theoretical proposals is a difficult task, since older base- line implementations may not rely on the same basic components, and reimplementing from scratch can be very time-consuming. In this paper we present a framework for experimentation with succinct data structures, providing a large set of configurable components, together with tests, benchmarks, and tools to analyze resource requirements. We demonstrate the functionality of the framework by recomposing succinct solutions for document retrieval.

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

With the rapid advancement of Large Language Models (LLMs), there is an increasing need for challenging benchmarks to evaluate their capabilities in handling complex tabular data. However, existing benchmarks are either based on outdated data setups or focus solely on simple, flat table structures. In this paper, we introduce RealHiTBench, a comprehensive benchmark designed to evaluate the performance of both LLMs and Multimodal LLMs (MLLMs) across a variety of input formats for complex tabular data, including LaTeX, HTML, and PNG. RealHiTBench also includes a diverse collection of tables with intricate structures, spanning a wide range of task types. Our experimental results, using 25 state-of-the-art LLMs, demonstrate that RealHiTBench is indeed a challenging benchmark. Moreover, we also develop TreeThinker, a tree-based pipeline that organizes hierarchical headers into a tree structure for enhanced tabular reasoning, validating the importance of improving LLMs' perception of table hierarchies. We hope that our work will inspire further research on tabular data reasoning and the development of more robust models. The code and data are available at https://github.com/cspzyy/RealHiTBench.

Prompting language models (LMs) is the main interface for applying them to new tasks. However, for smaller LMs, prompting provides low accuracy compared to gradient-based finetuning. Tree Prompting is an approach to prompting which builds a decision tree of prompts, linking multiple LM calls together to solve a task. At inference time, each call to the LM is determined by efficiently routing the outcome of the previous call using the tree. Experiments on classification datasets show that Tree Prompting improves accuracy over competing methods and is competitive with fine-tuning. We also show that variants of Tree Prompting allow inspection of a model's decision-making process.

Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.

Large Language Models (LLMs) excel in stand-alone code tasks like HumanEval and MBPP, but struggle with handling entire code repositories. This challenge has prompted research on enhancing LLM-codebase interaction at a repository scale. Current solutions rely on similarity-based retrieval or manual tools and APIs, each with notable drawbacks. Similarity-based retrieval often has low recall in complex tasks, while manual tools and APIs are typically task-specific and require expert knowledge, reducing their generalizability across diverse code tasks and real-world applications. To mitigate these limitations, we introduce \framework, a system that integrates LLM agents with graph database interfaces extracted from code repositories. By leveraging the structural properties of graph databases and the flexibility of the graph query language, \framework enables the LLM agent to construct and execute queries, allowing for precise, code structure-aware context retrieval and code navigation. We assess \framework using three benchmarks: CrossCodeEval, SWE-bench, and EvoCodeBench. Additionally, we develop five real-world coding applications. With a unified graph database schema, \framework demonstrates competitive performance and potential in both academic and real-world environments, showcasing its versatility and efficacy in software engineering. Our application demo: https://github.com/modelscope/modelscope-agent/tree/master/apps/codexgraph_agent.

The emergent phenomena of large foundation models have revolutionized natural language processing. However, evaluating these models presents significant challenges due to their size, capabilities, and deployment across diverse applications. Existing literature often focuses on individual aspects, such as benchmark performance or specific tasks, but fails to provide a cohesive process that integrates the nuances of diverse use cases with broader ethical and operational considerations. This work focuses on three key aspects: (1) Formalizing the Evaluation Process by providing a structured framework tailored to specific use-case contexts, (2) Offering Actionable Tools and Frameworks such as checklists and templates to ensure thorough, reproducible, and practical evaluations, and (3) Surveying Recent Work with a targeted review of advancements in LLM evaluation, emphasizing real-world applications.

Learning the hierarchical structure of data in vision-language models is a significant challenge. Previous works have attempted to address this challenge by employing entailment learning. However, these approaches fail to model the transitive nature of entailment explicitly, which establishes the relationship between order and semantics within a representation space. In this work, we introduce Radial Cross-Modal Embeddings (RCME), a framework that enables the explicit modeling of transitivity-enforced entailment. Our proposed framework optimizes for the partial order of concepts within vision-language models. By leveraging our framework, we develop a hierarchical vision-language foundation model capable of representing the hierarchy in the Tree of Life. Our experiments on hierarchical species classification and hierarchical retrieval tasks demonstrate the enhanced performance of our models compared to the existing state-of-the-art models. Our code and models are open-sourced at https://vishu26.github.io/RCME/index.html.

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

Large language models (LLMs) are capable of answering knowledge-intensive complex questions with chain-of-thought (CoT) reasoning. However, they tend to generate factually incorrect reasoning steps when the required knowledge is not available or up-to-date in models' parameters. Recent works turn to retrieving external knowledge to augment CoT reasoning. Despite being promising, these chain-based methods suffer from: 1) Negative retrieval. Unnecessary or incorrect retrieval may mislead the reasoning; 2) Limited sight. Lacking the ability to look backward or forward, a local error in one step will propagate along the chain. In this paper, we propose a novel approach: Probabilistic Tree-of-thought Reasoning (ProbTree). First, LLMs translate a complex question into a query tree, in which each non-root node denotes a sub-question of its parent node. Then, probabilistic reasoning is conducted over the tree, by solving questions from leaf to root considering the confidence of both question decomposing and answering. During reasoning, for leaf nodes, LLMs choose a more confident answer from Closed-book QA that employs parametric knowledge and Open-book QA that employs retrieved external knowledge, thus eliminating the negative retrieval problem. For non-leaf nodes, with the hierarchical structure, LLMs have broader sights and are able to globally reason with the information from child nodes, thus recovering from local errors. The experiments on three Complex QA datasets under the open-domain setting show that our approach outperforms SOTA methods significantly, demonstrating the effect of probabilistic tree-of-thought reasoning.

LLMs exhibit advanced reasoning capabilities, offering the potential to transform natural language questions into mathematical models. However, existing open-source datasets in operations research domain lack detailed annotations of the modeling process, such as variable definitions, focusing solely on objective values, which hinders reinforcement learning applications. To address this, we release the StructuredOR dataset, annotated with comprehensive labels that capture the complete mathematical modeling process. We further propose BPP-Search, a algorithm that integrates reinforcement learning into a tree-of-thought structure using Beam search, a Process reward model, and a pairwise Preference algorithm. This approach enables efficient exploration of tree structures, avoiding exhaustive search while improving accuracy. Extensive experiments on StructuredOR, NL4OPT, and MAMO-ComplexLP datasets show that BPP-Search significantly outperforms state-of-the-art methods. In tree-based reasoning, BPP-Search excels in accuracy and efficiency, enabling faster retrieval of correct solutions.

With the widespread use of the internet, it has become increasingly crucial to extract specific information from vast amounts of academic articles efficiently. Data mining techniques are generally employed to solve this issue. However, data mining for academic articles is challenging since it requires automatically extracting specific patterns in complex and unstructured layout documents. Current data mining methods for academic articles employ rule-based(RB) or machine learning(ML) approaches. However, using rule-based methods incurs a high coding cost for complex typesetting articles. On the other hand, simply using machine learning methods requires annotation work for complex content types within the paper, which can be costly. Furthermore, only using machine learning can lead to cases where patterns easily recognized by rule-based methods are mistakenly extracted. To overcome these issues, from the perspective of analyzing the standard layout and typesetting used in the specified publication, we emphasize implementing specific methods for specific characteristics in academic articles. We have developed a novel Text Block Refinement Framework (TBRF), a machine learning and rule-based scheme hybrid. We used the well-known ACL proceeding articles as experimental data for the validation experiment. The experiment shows that our approach achieved over 95% classification accuracy and 90% detection accuracy for tables and figures.

Large Language Models (LLMs), constrained by limited context windows, often face significant performance degradation when reasoning over long contexts. To address this, Retrieval-Augmented Generation (RAG) retrieves and reasons over chunks but frequently sacrifices logical coherence due to its reliance on similarity-based rankings. Similarly, divide-and-conquer frameworks (DCF) split documents into small chunks for independent reasoning and aggregation. While effective for local reasoning, DCF struggles to capture long-range dependencies and risks inducing conflicts by processing chunks in isolation. To overcome these limitations, we propose ToM, a novel Tree-oriented MapReduce framework for long-context reasoning. ToM leverages the inherent hierarchical structure of long documents (e.g., main headings and subheadings) by constructing a DocTree through hierarchical semantic parsing and performing bottom-up aggregation. Using a Tree MapReduce approach, ToM enables recursive reasoning: in the Map step, rationales are generated at child nodes; in the Reduce step, these rationales are aggregated across sibling nodes to resolve conflicts or reach consensus at parent nodes. Experimental results on 70B+ LLMs show that ToM significantly outperforms existing divide-and-conquer frameworks and retrieval-augmented generation methods, achieving better logical coherence and long-context reasoning. Our code is available at https://github.com/gjn12-31/ToM .

Literature review requires researchers to synthesize a large amount of information and is increasingly challenging as the scientific literature expands. In this work, we investigate the potential of LLMs for producing hierarchical organizations of scientific studies to assist researchers with literature review. We define hierarchical organizations as tree structures where nodes refer to topical categories and every node is linked to the studies assigned to that category. Our naive LLM-based pipeline for hierarchy generation from a set of studies produces promising yet imperfect hierarchies, motivating us to collect CHIME, an expert-curated dataset for this task focused on biomedicine. Given the challenging and time-consuming nature of building hierarchies from scratch, we use a human-in-the-loop process in which experts correct errors (both links between categories and study assignment) in LLM-generated hierarchies. CHIME contains 2,174 LLM-generated hierarchies covering 472 topics, and expert-corrected hierarchies for a subset of 100 topics. Expert corrections allow us to quantify LLM performance, and we find that while they are quite good at generating and organizing categories, their assignment of studies to categories could be improved. We attempt to train a corrector model with human feedback which improves study assignment by 12.6 F1 points. We release our dataset and models to encourage research on developing better assistive tools for literature review.

In this paper we investigated two different methods to parse relative and noun complement clauses in English and resorted to distinct tags for their corresponding that as a relative pronoun and as a complementizer. We used an algorithm to relabel a corpus parsed with the GUM Treebank using Universal Dependency. Our second experiment consisted in using TreeTagger, a Probabilistic Decision Tree, to learn the distinction between the two complement and relative uses of postnominal "that". We investigated the effect of the training set size on TreeTagger accuracy and how representative the GUM Treebank files are for the two structures under scrutiny. We discussed some of the linguistic and structural tenets of the learnability of this distinction.

Recent advancements in tree search algorithms guided by verifiers have significantly enhanced the reasoning capabilities of large language models (LLMs), but at the cost of increased computational resources. In this work, we identify two key challenges contributing to this inefficiency: over-exploration due to redundant states with semantically equivalent content, and under-exploration caused by high variance in verifier scoring leading to frequent trajectory switching. To address these issues, we propose FETCH, an efficient tree search framework, which is a flexible, plug-and-play system compatible with various tree search algorithms. Our framework mitigates over-exploration by merging semantically similar states using agglomerative clustering of text embeddings obtained from a fine-tuned SimCSE model. To tackle under-exploration, we enhance verifiers by incorporating temporal difference learning with adjusted lambda-returns during training to reduce variance, and employing a verifier ensemble to aggregate scores during inference. Experiments on GSM8K, GSM-Plus, and MATH datasets demonstrate that our methods significantly improve reasoning accuracy and computational efficiency across four different tree search algorithms, paving the way for more practical applications of LLM-based reasoning. The code is available at https://github.com/Soistesimmer/Fetch.

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and solving mathematical problems. However, many real-world data exhibit highly non-Euclidean latent hierarchical anatomy, such as protein networks, transportation networks, financial networks, brain networks, and linguistic structures or syntactic trees in natural languages. Effectively learning intrinsic semantic entailment and hierarchical relationships from these raw, unstructured input data using LLMs remains an underexplored area. Due to its effectiveness in modeling tree-like hierarchical structures, hyperbolic geometry -- a non-Euclidean space -- has rapidly gained popularity as an expressive latent representation space for complex data modeling across domains such as graphs, images, languages, and multi-modal data. Here, we provide a comprehensive and contextual exposition of recent advancements in LLMs that leverage hyperbolic geometry as a representation space to enhance semantic representation learning and multi-scale reasoning. Specifically, the paper presents a taxonomy of the principal techniques of Hyperbolic LLMs (HypLLMs) in terms of four main categories: (1) hyperbolic LLMs through exp/log maps; (2) hyperbolic fine-tuned models; (3) fully hyperbolic LLMs, and (4) hyperbolic state-space models. We also explore crucial potential applications and outline future research directions. A repository of key papers, models, datasets, and code implementations is available at https://github.com/sarangp2402/Hyperbolic-LLM-Models/tree/main.

Model customization necessitates high-quality and diverse datasets, but acquiring such data remains time-consuming and labor-intensive. Despite the great potential of large language models (LLMs) for data synthesis, current approaches are constrained by limited seed data, model biases, and low-variation prompts, resulting in limited diversity and biased distributions with the increase of data scales. To tackle this challenge, we introduce TREESYNTH, a tree-guided subspace-based data synthesis approach inspired by decision trees. It constructs a spatial partitioning tree to recursively divide a task-specific full data space (i.e., root node) into numerous atomic subspaces (i.e., leaf nodes) with mutually exclusive and exhaustive attributes to ensure both distinctiveness and comprehensiveness before synthesizing samples within each atomic subspace. This globally dividing-and-synthesizing method finally collects subspace samples into a comprehensive dataset, effectively circumventing repetition and space collapse to ensure the diversity of large-scale data synthesis. Furthermore, the spatial partitioning tree enables sample allocation into atomic subspaces, allowing the rebalancing of existing datasets for more balanced and comprehensive distributions. Empirically, extensive experiments across diverse benchmarks consistently demonstrate the superior data diversity, model performance, and robust scalability of TREESYNTH compared to both human-crafted datasets and peer data synthesis methods, with an average performance gain reaching 10%. Besides, the consistent improvements of TREESYNTH-balanced datasets highlight its efficacious application to redistribute existing datasets for more comprehensive coverage and the induced performance enhancement. The code is available at https://github.com/cpa2001/TreeSynth.

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.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

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.

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/

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.

Linear sequences of words are implicitly represented in our brains by hierarchical structures that organize the composition of words in sentences. Linguists formalize different frameworks to model this hierarchy; two of the most common syntactic frameworks are Constituency and Dependency. Constituency represents sentences as nested groups of phrases, while dependency represents a sentence by assigning relations between its words. Recently, the pursuit of intelligent machines has produced Language Models (LMs) capable of solving many language tasks with a human-level performance. Many studies now question whether LMs implicitly represent syntactic hierarchies. This thesis focuses on producing constituency and dependency structures from LMs in an unsupervised setting. I review the critical methods in this field and highlight a line of work that utilizes a numerical representation for binary constituency trees (Syntactic Distance). I present a detailed study on StructFormer (SF) (Shen et al., 2021), which retrofits a transformer encoder architecture with a parser network to produce constituency and dependency structures. I present six experiments to analyze and address this field's challenges; experiments include investigating the effect of repositioning the parser network within the SF architecture, evaluating subword-based induced trees, and benchmarking the models developed in the thesis experiments on linguistic tasks. Models benchmarking is performed by participating in the BabyLM challenge, published at CoNLL 2023 (Momen et al., 2023). The results of this thesis encourage further development in the direction of retrofitting transformer-based models to induce syntactic structures, supported by the acceptable performance of SF in different experimental settings and the observed limitations that require innovative solutions to advance the state of syntactic structure induction.

We present LEAF ("Lightweight Embedding Alignment Framework"), a knowledge distillation framework for text embedding models. A key distinguishing feature is that our distilled leaf models are aligned to their teacher. In the context of information retrieval, this allows for flexible asymmetric architectures where documents are encoded with the larger teacher model, while queries can be served with the smaller leaf models. We also show that leaf models automatically inherit MRL and robustness to output quantization whenever these properties are present in the teacher model, without explicitly training for them. To demonstrate the capability of our framework we publish leaf-ir, a 23M parameters information retrieval oriented text embedding model trained using LEAF, which sets a new state-of-the-art (SOTA) on BEIR, ranking #1 on the public leaderboard for this benchmark and for models of its size. When run in asymmetric mode, its retrieval performance is further increased. Our scheme is however not restricted to the information retrieval setting, and we demonstrate its wider applicability by synthesizing the multi-task leaf-mt model. This also sets a new SOTA, ranking #1 on the public MTEB v2 (English) leaderboard for its size. LEAF is applicable to black-box models and in contrast to other embedding model training frameworks, it does not require judgments nor hard negatives, and training can be conducted using small batch sizes. Thus, dataset and training infrastructure requirements for our framework are modest. We make our models publicly available under a permissive Apache 2.0 license.

Foundation models have emerged as critical components in a variety of artificial intelligence applications, and showcase significant success in natural language processing and several other domains. Meanwhile, the field of graph machine learning is witnessing a paradigm transition from shallow methods to more sophisticated deep learning approaches. The capabilities of foundation models to generalize and adapt motivate graph machine learning researchers to discuss the potential of developing a new graph learning paradigm. This paradigm envisions models that are pre-trained on extensive graph data and can be adapted for various graph tasks. Despite this burgeoning interest, there is a noticeable lack of clear definitions and systematic analyses pertaining to this new domain. To this end, this article introduces the concept of Graph Foundation Models (GFMs), and offers an exhaustive explanation of their key characteristics and underlying technologies. We proceed to classify the existing work related to GFMs into three distinct categories, based on their dependence on graph neural networks and large language models. In addition to providing a thorough review of the current state of GFMs, this article also outlooks potential avenues for future research in this rapidly evolving domain.

Complex Question Answering (QA) is a fundamental and challenging task in NLP. While large language models (LLMs) exhibit impressive performance in QA, they suffer from significant performance degradation when facing complex and abstract QA tasks due to insufficient reasoning capabilities. Works such as Chain-of-Thought (CoT) and Tree-of-Thought (ToT) aim to enhance LLMs' reasoning abilities, but they face issues such as in-layer redundancy in tree structures and single paths in chain structures. Although some studies utilize Retrieval-Augmented Generation (RAG) methods to assist LLMs in reasoning, the challenge of effectively utilizing large amounts of information involving multiple entities and hops remains critical. To address this, we propose the Matrix of Thought (MoT), a novel and efficient LLM thought structure. MoT explores the problem in both horizontal and vertical dimensions through the "column-cell communication" mechanism, enabling LLMs to actively engage in multi-strategy and deep-level thinking, reducing redundancy within the column cells and enhancing reasoning capabilities. Furthermore, we develop a fact-correction mechanism by constructing knowledge units from retrieved knowledge graph triples and raw text to enhance the initial knowledge for LLM reasoning and correct erroneous answers. This leads to the development of an efficient and accurate QA framework (MTQA). Experimental results show that our framework outperforms state-of-the-art methods on four widely-used datasets in terms of F1 and EM scores, with reasoning time only 14.4\% of the baseline methods, demonstrating both its efficiency and accuracy. The code for this framework is available at https://github.com/lyfiter/mtqa.

We present a new class of fast polylog-linear algorithms based on the theory of structured matrices (in particular low displacement rank) for integrating tensor fields defined on weighted trees. Several applications of the resulting fast tree-field integrators (FTFIs) are presented, including (a) approximation of graph metrics with tree metrics, (b) graph classification, (c) modeling on meshes, and finally (d) Topological Transformers (TTs) (Choromanski et al., 2022) for images. For Topological Transformers, we propose new relative position encoding (RPE) masking mechanisms with as few as three extra learnable parameters per Transformer layer, leading to 1.0-1.5%+ accuracy gains. Importantly, most of FTFIs are exact methods, thus numerically equivalent to their brute-force counterparts. When applied to graphs with thousands of nodes, those exact algorithms provide 5.7-13x speedups. We also provide an extensive theoretical analysis of our methods.

Semantic text classification has undergone significant advances in recent years due to the rise of large language models (LLMs) and their high dimensional embeddings. While LLM-embeddings are frequently used to store and retrieve text by semantic similarity in vector databases, the global structure semantic relationships in text corpora often remains opaque. Herein we propose a nested density clustering approach, to infer hierarchical trees of semantically related texts. The method starts by identifying texts of strong semantic similarity as it searches for dense clusters in LLM embedding space. As the density criterion is gradually relaxed, these dense clusters merge into more diffuse clusters, until the whole dataset is represented by a single cluster -- the root of the tree. By embedding dense clusters into increasingly diffuse ones, we construct a tree structure that captures hierarchical semantic relationships among texts. We outline how this approach can be used to classify textual data for abstracts of scientific abstracts as a case study. This enables the data-driven discovery research areas and their subfields without predefined categories. To evaluate the general applicability of the method, we further apply it to established benchmark datasets such as the 20 Newsgroups and IMDB 50k Movie Reviews, demonstrating its robustness across domains. Finally we discuss possible applications on scientometrics, topic evolution, highlighting how nested density trees can reveal semantic structure and evolution in textual datasets.

Reasoning is a distinctive human capacity, enabling us to address complex problems by breaking them down into a series of manageable cognitive steps. Yet, complex logical reasoning is still cumbersome for language models. Based on the dual process theory in cognitive science, we are the first to unravel the cognitive reasoning abilities of language models. Our framework employs an iterative methodology to construct a Cognitive Tree (CogTree). The root node of this tree represents the initial query, while the leaf nodes consist of straightforward questions that can be answered directly. This construction involves two main components: the implicit extraction module (referred to as the intuitive system) and the explicit reasoning module (referred to as the reflective system). The intuitive system rapidly generates multiple responses by utilizing in-context examples, while the reflective system scores these responses using comparative learning. The scores guide the intuitive system in its subsequent generation step. Our experimental results on two popular and challenging reasoning tasks indicate that it is possible to achieve a performance level comparable to that of GPT-3.5 (with 175B parameters), using a significantly smaller language model that contains fewer parameters (<=7B) than 5% of GPT-3.5.