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SubscribeTopoNav: Topological Navigation for Efficient Exploration in Sparse Reward Environments
Autonomous robots exploring unknown areas face a significant challenge -- navigating effectively without prior maps and with limited external feedback. This challenge intensifies in sparse reward environments, where traditional exploration techniques often fail. In this paper, we introduce TopoNav, a novel framework that empowers robots to overcome these constraints and achieve efficient, adaptable, and goal-oriented exploration. TopoNav's fundamental building blocks are active topological mapping, intrinsic reward mechanisms, and hierarchical objective prioritization. Throughout its exploration, TopoNav constructs a dynamic topological map that captures key locations and pathways. It utilizes intrinsic rewards to guide the robot towards designated sub-goals within this map, fostering structured exploration even in sparse reward settings. To ensure efficient navigation, TopoNav employs the Hierarchical Objective-Driven Active Topologies framework, enabling the robot to prioritize immediate tasks like obstacle avoidance while maintaining focus on the overall goal. We demonstrate TopoNav's effectiveness in simulated environments that replicate real-world conditions. Our results reveal significant improvements in exploration efficiency, navigational accuracy, and adaptability to unforeseen obstacles, showcasing its potential to revolutionize autonomous exploration in a wide range of applications, including search and rescue, environmental monitoring, and planetary exploration.
Reasoning Palette: Modulating Reasoning via Latent Contextualization for Controllable Exploration for (V)LMs
Exploration capacity shapes both inference-time performance and reinforcement learning (RL) training for large (vision-) language models, as stochastic sampling often yields redundant reasoning paths with little high-level diversity. This paper proposes Reasoning Palette, a novel latent-modulation framework that endows the model with a stochastic latent variable for strategic contextualization, guiding its internal planning prior to token generation. This latent context is inferred from the mean-pooled embedding of a question-answer pair via a variational autoencoder (VAE), where each sampled latent potentially encodes a distinct reasoning context. During inference, a sampled latent is decoded into learnable token prefixes and prepended to the input prompt, modulating the model's internal reasoning trajectory. In this way, the model performs internal sampling over reasoning strategies prior to output generation, which shapes the style and structure of the entire response sequence. A brief supervised fine-tuning (SFT) warm-up phase allows the model to adapt to this latent conditioning. Within RL optimization, Reasoning Palette facilitates structured exploration by enabling on-demand injection for diverse reasoning modes, significantly enhancing exploration efficiency and sustained learning capability. Experiments across multiple reasoning benchmarks demonstrate that our method enables interpretable and controllable control over the (vision-) language model's strategic behavior, thereby achieving consistent performance gains over standard RL methods.
RLAD: Training LLMs to Discover Abstractions for Solving Reasoning Problems
Reasoning requires going beyond pattern matching or memorization of solutions to identify and implement "algorithmic procedures" that can be used to deduce answers to hard problems. Doing so requires realizing the most relevant primitives, intermediate results, or shared procedures, and building upon them. While RL post-training on long chains of thought ultimately aims to uncover this kind of algorithmic behavior, most reasoning traces learned by large models fail to consistently capture or reuse procedures, instead drifting into verbose and degenerate exploration. To address more effective reasoning, we introduce reasoning abstractions: concise natural language descriptions of procedural and factual knowledge that guide the model toward learning successful reasoning. We train models to be capable of proposing multiple abstractions given a problem, followed by RL that incentivizes building a solution while using the information provided by these abstractions. This results in a two-player RL training paradigm, abbreviated as RLAD, that jointly trains an abstraction generator and a solution generator. This setup effectively enables structured exploration, decouples learning signals of abstraction proposal and solution generation, and improves generalization to harder problems. We also show that allocating more test-time compute to generating abstractions is more beneficial for performance than generating more solutions at large test budgets, illustrating the role of abstractions in guiding meaningful exploration.
CoAT: Chain-of-Associated-Thoughts Framework for Enhancing Large Language Models Reasoning
Research on LLM technologies is rapidly emerging, with most of them employing a 'fast thinking' approach to inference. Most LLMs generate the final result based solely on a single query and LLM's reasoning capabilities. However, with the advent of OpenAI-o1, 'slow thinking' techniques have garnered increasing attention because its process is closer to the human thought process. Inspired by the human ability to constantly associate and replenish knowledge during thinking, we developed the novel Chain-of-Associated-Thoughts (CoAT) framework, which introduces an innovative synergy between the Monte Carlo Tree Search (MCTS) algorithm and a dynamic mechanism for integrating new key information, termed 'associative memory'. By combining the structured exploration capabilities of MCTS with the adaptive learning capacity of associative memory, CoAT significantly expands the LLM search space, enabling our framework to explore diverse reasoning pathways and dynamically update its knowledge base in real-time. This allows the framework to not only revisit and refine earlier inferences but also adaptively incorporate evolving information, ensuring that the final output is both accurate and comprehensive. To validate the effectiveness of our framework, we conducted extensive experiments across a range of generative and reasoning tasks. These experiments demonstrated that our framework outperforms conventional inference processes on accuracy, coherence, and diversity. The framework's ability to iteratively expand its search space while retaining contextually relevant information results.
AI-Enhanced Virtual Reality in Medicine: A Comprehensive Survey
With the rapid advance of computer graphics and artificial intelligence technologies, the ways we interact with the world have undergone a transformative shift. Virtual Reality (VR) technology, aided by artificial intelligence (AI), has emerged as a dominant interaction media in multiple application areas, thanks to its advantage of providing users with immersive experiences. Among those applications, medicine is considered one of the most promising areas. In this paper, we present a comprehensive examination of the burgeoning field of AI-enhanced VR applications in medical care and services. By introducing a systematic taxonomy, we meticulously classify the pertinent techniques and applications into three well-defined categories based on different phases of medical diagnosis and treatment: Visualization Enhancement, VR-related Medical Data Processing, and VR-assisted Intervention. This categorization enables a structured exploration of the diverse roles that AI-powered VR plays in the medical domain, providing a framework for a more comprehensive understanding and evaluation of these technologies. To our best knowledge, this is the first systematic survey of AI-powered VR systems in medical settings, laying a foundation for future research in this interdisciplinary domain.
Object Detection with Multimodal Large Vision-Language Models: An In-depth Review
The fusion of language and vision in large vision-language models (LVLMs) has revolutionized deep learning-based object detection by enhancing adaptability, contextual reasoning, and generalization beyond traditional architectures. This in-depth review presents a structured exploration of the state-of-the-art in LVLMs, systematically organized through a three-step research review process. First, we discuss the functioning of vision language models (VLMs) for object detection, describing how these models harness natural language processing (NLP) and computer vision (CV) techniques to revolutionize object detection and localization. We then explain the architectural innovations, training paradigms, and output flexibility of recent LVLMs for object detection, highlighting how they achieve advanced contextual understanding for object detection. The review thoroughly examines the approaches used in integration of visual and textual information, demonstrating the progress made in object detection using VLMs that facilitate more sophisticated object detection and localization strategies. This review presents comprehensive visualizations demonstrating LVLMs' effectiveness in diverse scenarios including localization and segmentation, and then compares their real-time performance, adaptability, and complexity to traditional deep learning systems. Based on the review, its is expected that LVLMs will soon meet or surpass the performance of conventional methods in object detection. The review also identifies a few major limitations of the current LVLM modes, proposes solutions to address those challenges, and presents a clear roadmap for the future advancement in this field. We conclude, based on this study, that the recent advancement in LVLMs have made and will continue to make a transformative impact on object detection and robotic applications in the future.
First Return, Entropy-Eliciting Explore
Reinforcement Learning from Verifiable Rewards (RLVR) improves the reasoning abilities of Large Language Models (LLMs) but it struggles with unstable exploration. We propose FR3E (First Return, Entropy-Eliciting Explore), a structured exploration framework that identifies high-uncertainty decision points in reasoning trajectories and performs targeted rollouts to construct semantically grounded intermediate feedback. Our method provides targeted guidance without relying on dense supervision. Empirical results on mathematical reasoning benchmarks(AIME24) show that FR3E promotes more stable training, produces longer and more coherent responses, and increases the proportion of fully correct trajectories. These results highlight the framework's effectiveness in improving LLM reasoning through more robust and structured exploration.
Outcome-Refining Process Supervision for Code Generation
Large Language Models have demonstrated remarkable capabilities in code generation, yet they often struggle with complex programming tasks that require deep algorithmic reasoning. While process supervision through learned reward models shows promise in guiding reasoning steps, it requires expensive training data and suffers from unreliable evaluation. We propose Outcome-Refining Process Supervision, a novel paradigm that treats outcome refinement itself as the process to be supervised. Our framework leverages concrete execution signals to ground the supervision of reasoning steps, while using tree-structured exploration to maintain multiple solution trajectories simultaneously. Experiments demonstrate that our approach enables even smaller models to achieve high success accuracy and performance metrics on competitive programming tasks, creates more reliable verification than traditional reward models without requiring training PRMs. Our approach achieves significant improvements across 5 models and 3 datasets: an average of 26.9% increase in correctness and 42.2% in efficiency. The results suggest that providing structured reasoning space with concrete verification signals is crucial for solving complex programming tasks. We open-source all our code and data at: https://github.com/zhuohaoyu/ORPS
WebOperator: Action-Aware Tree Search for Autonomous Agents in Web Environment
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.
Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers
Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.
Priority Sampling of Large Language Models for Compilers
Large language models show great potential in generating and optimizing code. Widely used sampling methods such as Nucleus Sampling increase the diversity of generation but often produce repeated samples for low temperatures and incoherent samples for high temperatures. Furthermore, the temperature coefficient has to be tuned for each task, limiting its usability. We present Priority Sampling, a simple and deterministic sampling technique that produces unique samples ordered by the model's confidence. Each new sample expands the unexpanded token with the highest probability in the augmented search tree. Additionally, Priority Sampling supports generation based on regular expression that provides a controllable and structured exploration process. Priority Sampling outperforms Nucleus Sampling for any number of samples, boosting the performance of the original model from 2.87% to 5% improvement over -Oz. Moreover, it outperforms the autotuner used for the generation of labels for the training of the original model in just 30 samples.
The Trojan Knowledge: Bypassing Commercial LLM Guardrails via Harmless Prompt Weaving and Adaptive Tree Search
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.
Can Github issues be solved with Tree Of Thoughts?
While there have been extensive studies in code generation by large language models (LLM), where benchmarks like HumanEval have been surpassed with an impressive 96.3% success rate, these benchmarks predominantly judge a model's performance on basic function-level code generation and lack the critical thinking and concept of scope required of real-world scenarios such as solving GitHub issues. This research introduces the application of the Tree of Thoughts (ToT) language model reasoning framework for enhancing the decision-making and problem-solving abilities of LLMs for this complex task. Compared to traditional input-output (IO) prompting and Retrieval Augmented Generation (RAG) techniques, ToT is designed to improve performance by facilitating a structured exploration of multiple reasoning trajectories and enabling self-assessment of potential solutions. We experimentally deploy ToT in tackling a Github issue contained within an instance of the SWE-bench. However, our results reveal that the ToT framework alone is not enough to give LLMs the critical reasoning capabilities to outperform existing methods. In this paper we analyze the potential causes of these shortcomings and identify key areas for improvement such as deepening the thought process and introducing agentic capabilities. The insights of this research are aimed at informing future directions for refining the application of ToT and better harnessing the potential of LLMs in real-world problem-solving scenarios.
Web World Models
Language agents increasingly require persistent worlds in which they can act, remember, and learn. Existing approaches sit at two extremes: conventional web frameworks provide reliable but fixed contexts backed by databases, while fully generative world models aim for unlimited environments at the expense of controllability and practical engineering. In this work, we introduce the Web World Model (WWM), a middle ground where world state and ``physics'' are implemented in ordinary web code to ensure logical consistency, while large language models generate context, narratives, and high-level decisions on top of this structured latent state. We build a suite of WWMs on a realistic web stack, including an infinite travel atlas grounded in real geography, fictional galaxy explorers, web-scale encyclopedic and narrative worlds, and simulation- and game-like environments. Across these systems, we identify practical design principles for WWMs: separating code-defined rules from model-driven imagination, representing latent state as typed web interfaces, and utilizing deterministic generation to achieve unlimited but structured exploration. Our results suggest that web stacks themselves can serve as a scalable substrate for world models, enabling controllable yet open-ended environments. Project Page: https://github.com/Princeton-AI2-Lab/Web-World-Models.
Policy Guided Tree Search for Enhanced LLM Reasoning
Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are limited by their reliance on predefined heuristics and computationally expensive exploration strategies. We propose Policy-Guided Tree Search (PGTS), a framework that combines reinforcement learning with structured tree exploration to efficiently navigate reasoning paths. Our key innovation is a learned policy that dynamically decides between expanding, branching, backtracking, or terminating exploration, eliminating the need for manual heuristics or exhaustive search. Experiments across mathematical reasoning, logical deduction, and planning benchmarks demonstrate that PGTS achieves superior reasoning performance while significantly reducing computational costs compared to existing methods. These results establish PGTS as a scalable and effective solution for tackling complex reasoning tasks with LLMs.
HopRAG: Multi-Hop Reasoning for Logic-Aware Retrieval-Augmented Generation
Retrieval-Augmented Generation (RAG) systems often struggle with imperfect retrieval, as traditional retrievers focus on lexical or semantic similarity rather than logical relevance. To address this, we propose HopRAG, a novel RAG framework that augments retrieval with logical reasoning through graph-structured knowledge exploration. During indexing, HopRAG constructs a passage graph, with text chunks as vertices and logical connections established via LLM-generated pseudo-queries as edges. During retrieval, it employs a retrieve-reason-prune mechanism: starting with lexically or semantically similar passages, the system explores multi-hop neighbors guided by pseudo-queries and LLM reasoning to identify truly relevant ones. Experiments on multiple multi-hop benchmarks demonstrate that HopRAG's retrieve-reason-prune mechanism can expand the retrieval scope based on logical connections and improve final answer quality.
Exploring Superior Function Calls via Reinforcement Learning
Function calling capabilities are crucial for deploying Large Language Models in real-world applications, yet current training approaches fail to develop robust reasoning strategies. Supervised fine-tuning produces models that rely on superficial pattern matching, while standard reinforcement learning methods struggle with the complex action space of structured function calls. We present a novel reinforcement learning framework designed to enhance group relative policy optimization through strategic entropy based exploration specifically tailored for function calling tasks. Our approach addresses three critical challenges in function calling: insufficient exploration during policy learning, lack of structured reasoning in chain-of-thought generation, and inadequate verification of parameter extraction. Our two-stage data preparation pipeline ensures high-quality training samples through iterative LLM evaluation and abstract syntax tree validation. Extensive experiments on the Berkeley Function Calling Leaderboard demonstrate that this framework achieves state-of-the-art performance among open-source models with 86.02\% overall accuracy, outperforming standard GRPO by up to 6\% on complex multi-function scenarios. Notably, our method shows particularly strong improvements on code-pretrained models, suggesting that structured language generation capabilities provide an advantageous starting point for reinforcement learning in function calling tasks. We will release all the code, models and dataset to benefit the community.
AppAgent v2: Advanced Agent for Flexible Mobile Interactions
With the advancement of Multimodal Large Language Models (MLLM), LLM-driven visual agents are increasingly impacting software interfaces, particularly those with graphical user interfaces. This work introduces a novel LLM-based multimodal agent framework for mobile devices. This framework, capable of navigating mobile devices, emulates human-like interactions. Our agent constructs a flexible action space that enhances adaptability across various applications including parser, text and vision descriptions. The agent operates through two main phases: exploration and deployment. During the exploration phase, functionalities of user interface elements are documented either through agent-driven or manual explorations into a customized structured knowledge base. In the deployment phase, RAG technology enables efficient retrieval and update from this knowledge base, thereby empowering the agent to perform tasks effectively and accurately. This includes performing complex, multi-step operations across various applications, thereby demonstrating the framework's adaptability and precision in handling customized task workflows. Our experimental results across various benchmarks demonstrate the framework's superior performance, confirming its effectiveness in real-world scenarios. Our code will be open source soon.
Continual Learning, Not Training: Online Adaptation For Agents
Continual Learning (CL) methods have traditionally focused on mitigating catastrophic forgetting through gradient-based retraining, an approach ill-suited for deployed agents that must adapt in real time. We introduce our Adaptive Teaching and Learning System (ATLAS), a dual-agent architecture that decouples reasoning (Teacher) from execution (Student) and incorporates a persistent learning memory that stores distilled guidance from experience. This informs the orchestration layer, enabling the system to dynamically adjust its operational strategies, such as supervision level or initial plan selection, at inference time. In doing so, ATLAS achieves gradient-free continual learning, shifting the locus of adaptation from model parameters to system-level orchestration. We formulate this as a system-centric paradigm for continual learning, where the objective is adaptive efficiency: maximizing task success while minimizing computational cost through inference-time orchestration rather than parameter updates. Evaluated on Microsoft's ExCyTIn-Bench, an open-source benchmark simulating complex cyberthreat investigation, ATLAS achieves 54.1% success with GPT-5-mini as its Student, outperforming the larger GPT-5 (High) by 13% while reducing cost by 86%. Cross-incident validation demonstrates generalization: frozen pamphlets from Incident #5 improve accuracy from 28% to 41% with zero retraining, while shifting output composition from verbose exploration to structured reasoning. Together, these findings establish gradient-free continual learning as a viable path toward adaptive, deployable AI systems and provide causally annotated traces valuable for training explicit world models.
GRS-QA -- Graph Reasoning-Structured Question Answering Dataset
Large Language Models (LLMs) have excelled in multi-hop question-answering (M-QA) due to their advanced reasoning abilities. However, the impact of the inherent reasoning structures on LLM M-QA performance remains unclear, largely due to the absence of QA datasets that provide fine-grained reasoning structures. To address this gap, we introduce the Graph Reasoning-Structured Question Answering Dataset (GRS-QA), which includes both semantic contexts and reasoning structures for QA pairs. Unlike existing M-QA datasets, where different reasoning structures are entangled together, GRS-QA explicitly captures intricate reasoning pathways by constructing reasoning graphs, where nodes represent textual contexts and edges denote logical flows. These reasoning graphs of different structures enable a fine-grained evaluation of LLM reasoning capabilities across various reasoning structures. Our empirical analysis reveals that LLMs perform differently when handling questions with varying reasoning structures. This finding facilitates the exploration of textual structures as compared with semantics.
Table as Thought: Exploring Structured Thoughts in LLM Reasoning
Large language models' reasoning abilities benefit from methods that organize their thought processes, such as chain-of-thought prompting, which employs a sequential structure to guide the reasoning process step-by-step. However, existing approaches focus primarily on organizing the sequence of thoughts, leaving structure in individual thought steps underexplored. To address this gap, we propose Table as Thought, a framework inspired by cognitive neuroscience theories on human thought. Table as Thought organizes reasoning within a tabular schema, where rows represent sequential thought steps and columns capture critical constraints and contextual information to enhance reasoning. The reasoning process iteratively populates the table until self-verification ensures completeness and correctness. Our experiments show that Table as Thought excels in planning tasks and demonstrates a strong potential for enhancing LLM performance in mathematical reasoning compared to unstructured thought baselines. This work provides a novel exploration of refining thought representation within LLMs, paving the way for advancements in reasoning and AI cognition.
Dynamic Neighborhood Construction for Structured Large Discrete Action Spaces
Large discrete action spaces (LDAS) remain a central challenge in reinforcement learning. Existing solution approaches can handle unstructured LDAS with up to a few million actions. However, many real-world applications in logistics, production, and transportation systems have combinatorial action spaces, whose size grows well beyond millions of actions, even on small instances. Fortunately, such action spaces exhibit structure, e.g., equally spaced discrete resource units. With this work, we focus on handling structured LDAS (SLDAS) with sizes that cannot be handled by current benchmarks: we propose Dynamic Neighborhood Construction (DNC), a novel exploitation paradigm for SLDAS. We present a scalable neighborhood exploration heuristic that utilizes this paradigm and efficiently explores the discrete neighborhood around the continuous proxy action in structured action spaces with up to 10^{73} actions. We demonstrate the performance of our method by benchmarking it against three state-of-the-art approaches designed for large discrete action spaces across two distinct environments. Our results show that DNC matches or outperforms state-of-the-art approaches while being computationally more efficient. Furthermore, our method scales to action spaces that so far remained computationally intractable for existing methodologies.
Hydra: Structured Cross-Source Enhanced Large Language Model Reasoning
Retrieval-augmented generation (RAG) enhances large language models (LLMs) by incorporating external knowledge. Current hybrid RAG system retrieves evidence from both knowledge graphs (KGs) and text documents to support LLM reasoning. However, it faces challenges like handling multi-hop reasoning, multi-entity questions, multi-source verification, and effective graph utilization. To address these limitations, we present Hydra, a training-free framework that unifies graph topology, document semantics, and source reliability to support deep, faithful reasoning in LLMs. Hydra handles multi-hop and multi-entity problems through agent-driven exploration that combines structured and unstructured retrieval, increasing both diversity and precision of evidence. To tackle multi-source verification, Hydra uses a tri-factor cross-source verification (source trustworthiness assessment, cross-source corroboration, and entity-path alignment), to balance topic relevance with cross-modal agreement. By leveraging graph structure, Hydra fuses heterogeneous sources, guides efficient exploration, and prunes noise early. Comprehensive experiments on seven benchmark datasets show that Hydra achieves overall state-of-the-art results on all benchmarks with GPT-3.5, outperforming the strong hybrid baseline ToG-2 by an average of 20.3% and up to 30.1%. Furthermore, Hydra enables smaller models (e.g., Llama-3.1-8B) to achieve reasoning performance comparable to that of GPT-4-Turbo.
An Exploration Into Web Session Security- A Systematic Literature Review
The most common attacks against web sessions are reviewed in this paper, for example, some attacks against web browsers' honest users attempting to create session with trusted web browser application legally. We have assessed with four different ways to judge the viability of a certain solution by reviewing existing security solutions which prevent or halt the different attacks. Then we have pointed out some guidelines that have been taken into account by the designers of the proposals we reviewed. The guidelines we have identified will be helpful for the creative solutions proceeding web security in a more structured and holistic way.
Attention Mechanisms Perspective: Exploring LLM Processing of Graph-Structured Data
Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short compared to message-passing mechanisms on fixed links, such as those employed by Graph Neural Networks (GNNs). This raises a question: ``Does attention fail for graphs in natural language settings?'' Motivated by these observations, we embarked on an empirical study from the perspective of attention mechanisms to explore how LLMs process graph-structured data. The goal is to gain deeper insights into the attention behavior of LLMs over graph structures. We uncovered unique phenomena regarding how LLMs apply attention to graph-structured data and analyzed these findings to improve the modeling of such data by LLMs. The primary findings of our research are: 1) While LLMs can recognize graph data and capture text-node interactions, they struggle to model inter-node relationships within graph structures due to inherent architectural constraints. 2) The attention distribution of LLMs across graph nodes does not align with ideal structural patterns, indicating a failure to adapt to graph topology nuances. 3) Neither fully connected attention nor fixed connectivity is optimal; each has specific limitations in its application scenarios. Instead, intermediate-state attention windows improve LLM training performance and seamlessly transition to fully connected windows during inference. Source code: https://github.com/millioniron/LLM_exploration{LLM4Exploration}
NEXUS: Network Exploration for eXploiting Unsafe Sequences in Multi-Turn LLM Jailbreaks
Large Language Models (LLMs) have revolutionized natural language processing but remain vulnerable to jailbreak attacks, especially multi-turn jailbreaks that distribute malicious intent across benign exchanges and bypass alignment mechanisms. Existing approaches often explore the adversarial space poorly, rely on hand-crafted heuristics, or lack systematic query refinement. We present NEXUS (Network Exploration for eXploiting Unsafe Sequences), a modular framework for constructing, refining, and executing optimized multi-turn attacks. NEXUS comprises: (1) ThoughtNet, which hierarchically expands a harmful intent into a structured semantic network of topics, entities, and query chains; (2) a feedback-driven Simulator that iteratively refines and prunes these chains through attacker-victim-judge LLM collaboration using harmfulness and semantic-similarity benchmarks; and (3) a Network Traverser that adaptively navigates the refined query space for real-time attacks. This pipeline uncovers stealthy, high-success adversarial paths across LLMs. On several closed-source and open-source LLMs, NEXUS increases attack success rate by 2.1% to 19.4% over prior methods. Code: https://github.com/inspire-lab/NEXUS
SciDaSynth: Interactive Structured Knowledge Extraction and Synthesis from Scientific Literature with Large Language Model
Extraction and synthesis of structured knowledge from extensive scientific literature are crucial for advancing and disseminating scientific progress. Although many existing systems facilitate literature review and digest, they struggle to process multimodal, varied, and inconsistent information within and across the literature into structured data. We introduce SciDaSynth, a novel interactive system powered by large language models (LLMs) that enables researchers to efficiently build structured knowledge bases from scientific literature at scale. The system automatically creates data tables to organize and summarize users' interested knowledge in literature via question-answering. Furthermore, it provides multi-level and multi-faceted exploration of the generated data tables, facilitating iterative validation, correction, and refinement. Our within-subjects study with researchers demonstrates the effectiveness and efficiency of SciDaSynth in constructing quality scientific knowledge bases. We further discuss the design implications for human-AI interaction tools for data extraction and structuring.
Explore-Execute Chain: Towards an Efficient Structured Reasoning Paradigm
Chain-of-Thought (CoT) and its variants have markedly advanced the reasoning abilities of Large Language Models (LLMs), yet their monolithic and auto-regressive architecture inherently conflates high-level strategic planning with low-level step-by-step execution, leading to computational inefficiency, limited exploration of reasoning paths, and reduced interpretability. To overcome these issues, we propose the Explore-Execute Chain (E^2C), a structured reasoning framework that decouples reasoning into two distinct phases: an exploratory phase that stochastically generates succinct high-level plans, followed by an execution phase that deterministically carries out the chosen plan. Our approach incorporates a two-stage training methodology, which combines Supervised Fine-Tuning (SFT) - augmented by a novel data generation algorithm enforcing strict plan adherence - with a subsequent Reinforcement Learning (RL) stage that capitalizes on the informativeness of exploration and reinforces the determinism of execution. This decomposition enables an efficient test-time scaling strategy: on AIME'2024, E^2C Test Time Scaling reaches 58.1% accuracy using <10% of the decoding tokens required by comparable methods (e.g., Forest-of-Thought), sharply cutting self-consistency overhead. For cross-domain adaptation, our Exploration-Focused SFT (EF-SFT) fine-tunes with only 3.5% of the tokens used by standard SFT yet yields up to 14.5% higher accuracy than standard SFT on medical benchmarks, delivering state-of-the-art performance, strong generalization, and greater interpretability by separating planning from execution. The code and pre-trained models for the project are available at: https://github.com/yks23/Explore-Execute-Chain.git
AnywhereVLA: Language-Conditioned Exploration and Mobile Manipulation
We address natural language pick-and-place in unseen, unpredictable indoor environments with AnywhereVLA, a modular framework for mobile manipulation. A user text prompt serves as an entry point and is parsed into a structured task graph that conditions classical SLAM with LiDAR and cameras, metric semantic mapping, and a task-aware frontier exploration policy. An approach planner then selects visibility and reachability aware pre grasp base poses. For interaction, a compact SmolVLA manipulation head is fine tuned on platform pick and place trajectories for the SO-101 by TheRobotStudio, grounding local visual context and sub-goals into grasp and place proposals. The full system runs fully onboard on consumer-level hardware, with Jetson Orin NX for perception and VLA and an Intel NUC for SLAM, exploration, and control, sustaining real-time operation. We evaluated AnywhereVLA in a multi-room lab under static scenes and normal human motion. In this setting, the system achieves a 46% overall task success rate while maintaining throughput on embedded compute. By combining a classical stack with a fine-tuned VLA manipulation, the system inherits the reliability of geometry-based navigation with the agility and task generalization of language-conditioned manipulation.
ExploreVLM: Closed-Loop Robot Exploration Task Planning with Vision-Language Models
The advancement of embodied intelligence is accelerating the integration of robots into daily life as human assistants. This evolution requires robots to not only interpret high-level instructions and plan tasks but also perceive and adapt within dynamic environments. Vision-Language Models (VLMs) present a promising solution by combining visual understanding and language reasoning. However, existing VLM-based methods struggle with interactive exploration, accurate perception, and real-time plan adaptation. To address these challenges, we propose ExploreVLM, a novel closed-loop task planning framework powered by Vision-Language Models (VLMs). The framework is built around a step-wise feedback mechanism that enables real-time plan adjustment and supports interactive exploration. At its core is a dual-stage task planner with self-reflection, enhanced by an object-centric spatial relation graph that provides structured, language-grounded scene representations to guide perception and planning. An execution validator supports the closed loop by verifying each action and triggering re-planning. Extensive real-world experiments demonstrate that ExploreVLM significantly outperforms state-of-the-art baselines, particularly in exploration-centric tasks. Ablation studies further validate the critical role of the reflective planner and structured perception in achieving robust and efficient task execution.
Structured Prompting and Feedback-Guided Reasoning with LLMs for Data Interpretation
Large language models (LLMs) have demonstrated remarkable capabilities in natural language understanding and task generalization. However, their application to structured data analysis remains fragile due to inconsistencies in schema interpretation, misalignment between user intent and model output, and limited mechanisms for self-correction when failures occur. This paper introduces the STROT Framework (Structured Task Reasoning and Output Transformation), a method for structured prompting and feedback-driven transformation logic generation aimed at improving the reliability and semantic alignment of LLM-based analytical workflows. STROT begins with lightweight schema introspection and sample-based field classification, enabling dynamic context construction that captures both the structure and statistical profile of the input data. This contextual information is embedded in structured prompts that guide the model toward generating task-specific, interpretable outputs. To address common failure modes in complex queries, STROT incorporates a refinement mechanism in which the model iteratively revises its outputs based on execution feedback and validation signals. Unlike conventional approaches that rely on static prompts or single-shot inference, STROT treats the LLM as a reasoning agent embedded within a controlled analysis loop -- capable of adjusting its output trajectory through planning and correction. The result is a robust and reproducible framework for reasoning over structured data with LLMs, applicable to diverse data exploration and analysis tasks where interpretability, stability, and correctness are essential.
Diversity-Incentivized Exploration for Versatile Reasoning
Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a crucial paradigm for incentivizing reasoning capabilities in Large Language Models (LLMs). Due to vast state-action spaces and reward sparsity in reasoning tasks, existing methods often struggle with deficient exploration and poor sample efficiency. In the paper, we propose DIVER (Diversity-Incentivized Exploration for VersatilE Reasoning), an innovative framework that highlights the pivotal role of global sequence-level diversity to incentivize deep exploration for versatile reasoning. We first conduct a primary empirical study to reveal a strong positive correlation between global diversity and reasoning capacity. Building on this insight, we introduce global diversity incentives as an intrinsic reward to promote deep exploration in a semantically structured space. Incorporating the intrinsic reward, we develop a potential-based reward shaping mechanism to preserve optimal policy invariance and design simple heuristics to mitigate possible reward hacking. Experimental results show that DIVER outperforms competitive RLVR baselines with various exploration strategies on both in-domain and out-of-domain tasks, excelling in both Pass@1 and Pass@k evaluations. Our code is available at https://github.com/NJU-RL/DIVER.
Dynamic-TreeRPO: Breaking the Independent Trajectory Bottleneck with Structured Sampling
The integration of Reinforcement Learning (RL) into flow matching models for text-to-image (T2I) generation has driven substantial advances in generation quality. However, these gains often come at the cost of exhaustive exploration and inefficient sampling strategies due to slight variation in the sampling group. Building on this insight, we propose Dynamic-TreeRPO, which implements the sliding-window sampling strategy as a tree-structured search with dynamic noise intensities along depth. We perform GRPO-guided optimization and constrained Stochastic Differential Equation (SDE) sampling within this tree structure. By sharing prefix paths of the tree, our design effectively amortizes the computational overhead of trajectory search. With well-designed noise intensities for each tree layer, Dynamic-TreeRPO can enhance the variation of exploration without any extra computational cost. Furthermore, we seamlessly integrate Supervised Fine-Tuning (SFT) and RL paradigm within Dynamic-TreeRPO to construct our proposed LayerTuning-RL, reformulating the loss function of SFT as a dynamically weighted Progress Reward Model (PRM) rather than a separate pretraining method. By associating this weighted PRM with dynamic-adaptive clipping bounds, the disruption of exploration process in Dynamic-TreeRPO is avoided. Benefiting from the tree-structured sampling and the LayerTuning-RL paradigm, our model dynamically explores a diverse search space along effective directions. Compared to existing baselines, our approach demonstrates significant superiority in terms of semantic consistency, visual fidelity, and human preference alignment on established benchmarks, including HPS-v2.1, PickScore, and ImageReward. In particular, our model outperforms SoTA by 4.9%, 5.91%, and 8.66% on those benchmarks, respectively, while improving the training efficiency by nearly 50%.
Reinforcement Learning on Web Interfaces Using Workflow-Guided Exploration
Reinforcement learning (RL) agents improve through trial-and-error, but when reward is sparse and the agent cannot discover successful action sequences, learning stagnates. This has been a notable problem in training deep RL agents to perform web-based tasks, such as booking flights or replying to emails, where a single mistake can ruin the entire sequence of actions. A common remedy is to "warm-start" the agent by pre-training it to mimic expert demonstrations, but this is prone to overfitting. Instead, we propose to constrain exploration using demonstrations. From each demonstration, we induce high-level "workflows" which constrain the allowable actions at each time step to be similar to those in the demonstration (e.g., "Step 1: click on a textbox; Step 2: enter some text"). Our exploration policy then learns to identify successful workflows and samples actions that satisfy these workflows. Workflows prune out bad exploration directions and accelerate the agent's ability to discover rewards. We use our approach to train a novel neural policy designed to handle the semi-structured nature of websites, and evaluate on a suite of web tasks, including the recent World of Bits benchmark. We achieve new state-of-the-art results, and show that workflow-guided exploration improves sample efficiency over behavioral cloning by more than 100x.
FlowSearch: Advancing deep research with dynamic structured knowledge flow
Deep research is an inherently challenging task that demands both breadth and depth of thinking. It involves navigating diverse knowledge spaces and reasoning over complex, multi-step dependencies, which presents substantial challenges for agentic systems. To address this, we propose FlowSearch, a multi-agent framework that actively constructs and evolves a dynamic structured knowledge flow to drive subtask execution and reasoning. FlowSearch is capable of strategically planning and expanding the knowledge flow to enable parallel exploration and hierarchical task decomposition, while also adjusting the knowledge flow in real time based on feedback from intermediate reasoning outcomes and insights. FlowSearch achieves state-of-the-art performance on both general and scientific benchmarks, including GAIA, HLE, GPQA and TRQA, demonstrating its effectiveness in multi-disciplinary research scenarios and its potential to advance scientific discovery. The code is available at https://github.com/Alpha-Innovator/InternAgent.
ExoViP: Step-by-step Verification and Exploration with Exoskeleton Modules for Compositional Visual Reasoning
Compositional visual reasoning methods, which translate a complex query into a structured composition of feasible visual tasks, have exhibited a strong potential in complicated multi-modal tasks. Empowered by recent advances in large language models (LLMs), this multi-modal challenge has been brought to a new stage by treating LLMs as few-shot/zero-shot planners, i.e., vision-language (VL) programming. Such methods, despite their numerous merits, suffer from challenges due to LLM planning mistakes or inaccuracy of visual execution modules, lagging behind the non-compositional models. In this work, we devise a "plug-and-play" method, ExoViP, to correct errors in both the planning and execution stages through introspective verification. We employ verification modules as "exoskeletons" to enhance current VL programming schemes. Specifically, our proposed verification module utilizes a mixture of three sub-verifiers to validate predictions after each reasoning step, subsequently calibrating the visual module predictions and refining the reasoning trace planned by LLMs. Experimental results on two representative VL programming methods showcase consistent improvements on five compositional reasoning tasks on standard benchmarks. In light of this, we believe that ExoViP can foster better performance and generalization on open-domain multi-modal challenges.
BranchGRPO: Stable and Efficient GRPO with Structured Branching in Diffusion Models
Recent progress in aligning image and video generative models with Group Relative Policy Optimization (GRPO) has improved human preference alignment, but existing variants remain inefficient due to sequential rollouts and large numbers of sampling steps, unreliable credit assignment: sparse terminal rewards are uniformly propagated across timesteps, failing to capture the varying criticality of decisions during denoising. In this paper, we present BranchGRPO, a method that restructures the rollout process into a branching tree, where shared prefixes amortize computation and pruning removes low-value paths and redundant depths. BranchGRPO introduces three contributions: (1) a branching scheme that amortizes rollout cost through shared prefixes while preserving exploration diversity; (2) a reward fusion and depth-wise advantage estimator that transforms sparse terminal rewards into dense step-level signals; and (3) pruning strategies that cut gradient computation but leave forward rollouts and exploration unaffected. On HPDv2.1 image alignment, BranchGRPO improves alignment scores by up to 16\% over DanceGRPO, while reducing per-iteration training time by nearly 55\%. A hybrid variant, BranchGRPO-Mix, further accelerates training to 4.7x faster than DanceGRPO without degrading alignment. On WanX video generation, it further achieves higher Video-Align scores with sharper and temporally consistent frames compared to DanceGRPO. Codes are available at https://fredreic1849.github.io/BranchGRPO-Webpage/{BranchGRPO}.
`My Dataset of Love': A Preliminary Mixed-Method Exploration of Human-AI Romantic Relationships
Human-AI romantic relationships have gained wide popularity among social media users in China. The technological impact on romantic relationships and its potential applications have long drawn research attention to topics such as relationship preservation and negativity mitigation. Media and communication studies also explore the practices in romantic para-social relationships. Nonetheless, this emerging human-AI romantic relationship, whether the relations fall into the category of para-social relationship together with its navigation pattern, remains unexplored, particularly in the context of relational stages and emotional attachment. This research thus seeks to fill this gap by presenting a mixed-method approach on 1,766 posts and 60,925 comments from Xiaohongshu, as well as the semi-structured interviews with 23 participants, of whom one of them developed her relationship with self-created AI for three years. The findings revealed that the users' willingness to self-disclose to AI companions led to increased positivity without social stigma. The results also unveiled the reciprocal nature of these interactions, the dominance of 'self', and raised concerns about language misuse, bias, and data security in AI communication.
ProxSparse: Regularized Learning of Semi-Structured Sparsity Masks for Pretrained LLMs
Large Language Models (LLMs) have demonstrated exceptional performance in natural language processing tasks, yet their massive size makes serving them inefficient and costly. Semi-structured pruning has emerged as an effective method for model acceleration, but existing approaches are suboptimal because they focus on local, layer-wise optimizations using heuristic rules, failing to leverage global feedback. We present ProxSparse, a learning-based framework for mask selection enabled by regularized optimization. ProxSparse transforms the rigid, non-differentiable mask selection process into a smoother optimization procedure, allowing gradual mask exploration with flexibility. ProxSparse does not involve additional weight updates once the mask is determined. Our extensive evaluations on 7 widely used models show that ProxSparse consistently outperforms previously proposed semi-structured mask selection methods with significant improvement, demonstrating the effectiveness of our learned approach towards semi-structured pruning.
Pre$^3$: Enabling Deterministic Pushdown Automata for Faster Structured LLM Generation
Extensive LLM applications demand efficient structured generations, particularly for LR(1) grammars, to produce outputs in specified formats (e.g., JSON). Existing methods primarily parse LR(1) grammars into a pushdown automaton (PDA), leading to runtime execution overhead for context-dependent token processing, especially inefficient under large inference batches. To address these issues, we propose Pre^3 that exploits deterministic pushdown automata (DPDA) to optimize the constrained LLM decoding efficiency. First, by precomputing prefix-conditioned edges during the preprocessing, Pre^3 enables ahead-of-time edge analysis and thus makes parallel transition processing possible. Second, by leveraging the prefix-conditioned edges, Pre^3 introduces a novel approach that transforms LR(1) transition graphs into DPDA, eliminating the need for runtime path exploration and achieving edge transitions with minimal overhead. Pre^3 can be seamlessly integrated into standard LLM inference frameworks, reducing time per output token (TPOT) by up to 40% and increasing throughput by up to 36% in our experiments. Our code is available at https://github.com/ModelTC/lightllm.
MCTSr-Zero: Self-Reflective Psychological Counseling Dialogues Generation via Principles and Adaptive Exploration
The integration of Monte Carlo Tree Search (MCTS) with Large Language Models (LLMs) has demonstrated significant success in structured, problem-oriented tasks. However, applying these methods to open-ended dialogues, such as those in psychological counseling, presents unique challenges. Unlike tasks with objective correctness, success in therapeutic conversations depends on subjective factors like empathetic engagement, ethical adherence, and alignment with human preferences, for which strict "correctness" criteria are ill-defined. Existing result-oriented MCTS approaches can therefore produce misaligned responses. To address this, we introduce MCTSr-Zero, an MCTS framework designed for open-ended, human-centric dialogues. Its core innovation is "domain alignment", which shifts the MCTS search objective from predefined end-states towards conversational trajectories that conform to target domain principles (e.g., empathy in counseling). Furthermore, MCTSr-Zero incorporates "Regeneration" and "Meta-Prompt Adaptation" mechanisms to substantially broaden exploration by allowing the MCTS to consider fundamentally different initial dialogue strategies. We evaluate MCTSr-Zero in psychological counseling by generating multi-turn dialogue data, which is used to fine-tune an LLM, PsyLLM. We also introduce PsyEval, a benchmark for assessing multi-turn psychological counseling dialogues. Experiments demonstrate that PsyLLM achieves state-of-the-art performance on PsyEval and other relevant metrics, validating MCTSr-Zero's effectiveness in generating high-quality, principle-aligned conversational data for human-centric domains and addressing the LLM challenge of consistently adhering to complex psychological standards.
Tree-of-Code: A Tree-Structured Exploring Framework for End-to-End Code Generation and Execution in Complex Task Handling
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.
Federated Hybrid Model Pruning through Loss Landscape Exploration
As the era of connectivity and unprecedented data generation expands, collaborative intelligence emerges as a key driver for machine learning, encouraging global-scale model development. Federated learning (FL) stands at the heart of this transformation, enabling distributed systems to work collectively on complex tasks while respecting strict constraints on privacy and security. Despite its vast potential, specially in the age of complex models, FL encounters challenges such as elevated communication costs, computational constraints, and the heterogeneous data distributions. In this context, we present AutoFLIP, a novel framework that optimizes FL through an adaptive hybrid pruning approach, grounded in a federated loss exploration phase. By jointly analyzing diverse non-IID client loss landscapes, AutoFLIP efficiently identifies model substructures for pruning both at structured and unstructured levels. This targeted optimization fosters a symbiotic intelligence loop, reducing computational burdens and boosting model performance on resource-limited devices for a more inclusive and democratized model usage. Our extensive experiments across multiple datasets and FL tasks show that AutoFLIP delivers quantifiable benefits: a 48.8% reduction in computational overhead, a 35.5% decrease in communication costs, and a notable improvement in global accuracy. By significantly reducing these overheads, AutoFLIP offer the way for efficient FL deployment in real-world applications for a scalable and broad applicability.
MapReader: A Computer Vision Pipeline for the Semantic Exploration of Maps at Scale
We present MapReader, a free, open-source software library written in Python for analyzing large map collections (scanned or born-digital). This library transforms the way historians can use maps by turning extensive, homogeneous map sets into searchable primary sources. MapReader allows users with little or no computer vision expertise to i) retrieve maps via web-servers; ii) preprocess and divide them into patches; iii) annotate patches; iv) train, fine-tune, and evaluate deep neural network models; and v) create structured data about map content. We demonstrate how MapReader enables historians to interpret a collection of approx16K nineteenth-century Ordnance Survey map sheets (approx30.5M patches), foregrounding the challenge of translating visual markers into machine-readable data. We present a case study focusing on British rail infrastructure and buildings as depicted on these maps. We also show how the outputs from the MapReader pipeline can be linked to other, external datasets, which we use to evaluate as well as enrich and interpret the results. We release approx62K manually annotated patches used here for training and evaluating the models.
One Life to Learn: Inferring Symbolic World Models for Stochastic Environments from Unguided Exploration
Symbolic world modeling requires inferring and representing an environment's transitional dynamics as an executable program. Prior work has focused on largely deterministic environments with abundant interaction data, simple mechanics, and human guidance. We address a more realistic and challenging setting, learning in a complex, stochastic environment where the agent has only "one life" to explore a hostile environment without human guidance. We introduce OneLife, a framework that models world dynamics through conditionally-activated programmatic laws within a probabilistic programming framework. Each law operates through a precondition-effect structure, activating in relevant world states. This creates a dynamic computation graph that routes inference and optimization only through relevant laws, avoiding scaling challenges when all laws contribute to predictions about a complex, hierarchical state, and enabling the learning of stochastic dynamics even with sparse rule activation. To evaluate our approach under these demanding constraints, we introduce a new evaluation protocol that measures (a) state ranking, the ability to distinguish plausible future states from implausible ones, and (b) state fidelity, the ability to generate future states that closely resemble reality. We develop and evaluate our framework on Crafter-OO, our reimplementation of the Crafter environment that exposes a structured, object-oriented symbolic state and a pure transition function that operates on that state alone. OneLife can successfully learn key environment dynamics from minimal, unguided interaction, outperforming a strong baseline on 16 out of 23 scenarios tested. We also test OneLife's planning ability, with simulated rollouts successfully identifying superior strategies. Our work establishes a foundation for autonomously constructing programmatic world models of unknown, complex environments.
Mindalogue: LLM-Powered Nonlinear Interaction for Effective Learning and Task Exploration
Current generative AI models like ChatGPT, Claude, and Gemini are widely used for knowledge dissemination, task decomposition, and creative thinking. However, their linear interaction methods often force users to repeatedly compare and copy contextual information when handling complex tasks, increasing cognitive load and operational costs. Moreover, the ambiguity in model responses requires users to refine and simplify the information further. To address these issues, we developed "Mindalogue", a system using a non-linear interaction model based on "nodes + canvas" to enhance user efficiency and freedom while generating structured responses. A formative study with 11 users informed the design of Mindalogue, which was then evaluated through a study with 16 participants. The results showed that Mindalogue significantly reduced task steps and improved users' comprehension of complex information. This study highlights the potential of non-linear interaction in improving AI tool efficiency and user experience in the HCI field.
ReFoRCE: A Text-to-SQL Agent with Self-Refinement, Format Restriction, and Column Exploration
Text-to-SQL systems have unlocked easier access to critical data insights by enabling natural language queries over structured databases. However, deploying such systems in enterprise environments remains challenging due to factors such as large, complex schemas (> 3000 columns), diverse SQL dialects (e.g., BigQuery, Snowflake) and sophisticated query requirements (e.g., transformation, analytics). Current state-of-the-art performance on the Spider 2.0 dataset -- a benchmark built to mimic such complex environments -- remains limited at 20%. Key limitations include inadequate instruction-following, poor long-context comprehension, weak self-refinement, and insufficient dialect-specific knowledge. To address these gaps, we propose ReFoRCE (Self-Refinement Agent with Format Restriction and Column Exploration) which introduces (1) table compression to mitigate long-context limitations (2) format restriction to ensure accurate answer format, and (3) iterative column exploration for enhanced schema understanding. Additionally, it employs self-refinement pipeline consisting of (1) parallelized workflows with voting mechanisms and (2) a Common Table Expression (CTE) based refinement approach to handle unresolved cases. ReFoRCE achieves state-of-the-art results scoring 31.26 on the Spider 2.0-Snow and scoring 30.35 on the Spider 2.0-Lite tasks.
Adapting Abstract Meaning Representation Parsing to the Clinical Narrative -- the SPRING THYME parser
This paper is dedicated to the design and evaluation of the first AMR parser tailored for clinical notes. Our objective was to facilitate the precise transformation of the clinical notes into structured AMR expressions, thereby enhancing the interpretability and usability of clinical text data at scale. Leveraging the colon cancer dataset from the Temporal Histories of Your Medical Events (THYME) corpus, we adapted a state-of-the-art AMR parser utilizing continuous training. Our approach incorporates data augmentation techniques to enhance the accuracy of AMR structure predictions. Notably, through this learning strategy, our parser achieved an impressive F1 score of 88% on the THYME corpus's colon cancer dataset. Moreover, our research delved into the efficacy of data required for domain adaptation within the realm of clinical notes, presenting domain adaptation data requirements for AMR parsing. This exploration not only underscores the parser's robust performance but also highlights its potential in facilitating a deeper understanding of clinical narratives through structured semantic representations.
Thought-Augmented Policy Optimization: Bridging External Guidance and Internal Capabilities
Reinforcement learning (RL) has emerged as an effective method for training reasoning models. However, existing RL approaches typically bias the model's output distribution toward reward-maximizing paths without introducing external knowledge. This limits their exploration capacity and results in a narrower reasoning capability boundary compared to base models. To address this limitation, we propose TAPO (Thought-Augmented Policy Optimization), a novel framework that augments RL by incorporating external high-level guidance ("thought patterns"). By adaptively integrating structured thoughts during training, TAPO effectively balances model-internal exploration and external guidance exploitation. Extensive experiments show that our approach significantly outperforms GRPO by 99% on AIME, 41% on AMC, and 17% on Minerva Math. Notably, these high-level thought patterns, abstracted from only 500 prior samples, generalize effectively across various tasks and models. This highlights TAPO's potential for broader applications across multiple tasks and domains. Our further analysis reveals that introducing external guidance produces powerful reasoning models with superior explainability of inference behavior and enhanced output readability.
ChemLLM: A Chemical Large Language Model
Large language models (LLMs) have made impressive progress in chemistry applications, including molecular property prediction, molecular generation, experimental protocol design, etc. However, the community lacks a dialogue-based model specifically designed for chemistry. The challenge arises from the fact that most chemical data and scientific knowledge are primarily stored in structured databases, and the direct use of these structured data compromises the model's ability to maintain coherent dialogue. To tackle this issue, we develop a novel template-based instruction construction method that transforms structured knowledge into plain dialogue, making it suitable for language model training. By leveraging this approach, we develop ChemLLM, the first large language model dedicated to chemistry, capable of performing various tasks across chemical disciplines with smooth dialogue interaction. ChemLLM beats GPT-3.5 on all three principal tasks in chemistry, i.e., name conversion, molecular caption, and reaction prediction, and surpasses GPT-4 on two of them. Remarkably, ChemLLM also shows exceptional adaptability to related mathematical and physical tasks despite being trained mainly on chemical-centric corpora. Furthermore, ChemLLM demonstrates proficiency in specialized NLP tasks within chemistry, such as literature translation and cheminformatic programming. ChemLLM opens up a new avenue for exploration within chemical studies, while our method of integrating structured chemical knowledge into dialogue systems sets a new frontier for developing LLMs across various scientific fields. Codes, Datasets, and Model weights are publicly accessible at hf.co/AI4Chem/ChemLLM-7B-Chat.
Enter the Mind Palace: Reasoning and Planning for Long-term Active Embodied Question Answering
As robots become increasingly capable of operating over extended periods -- spanning days, weeks, and even months -- they are expected to accumulate knowledge of their environments and leverage this experience to assist humans more effectively. This paper studies the problem of Long-term Active Embodied Question Answering (LA-EQA), a new task in which a robot must both recall past experiences and actively explore its environment to answer complex, temporally-grounded questions. Unlike traditional EQA settings, which typically focus either on understanding the present environment alone or on recalling a single past observation, LA-EQA challenges an agent to reason over past, present, and possible future states, deciding when to explore, when to consult its memory, and when to stop gathering observations and provide a final answer. Standard EQA approaches based on large models struggle in this setting due to limited context windows, absence of persistent memory, and an inability to combine memory recall with active exploration. To address this, we propose a structured memory system for robots, inspired by the mind palace method from cognitive science. Our method encodes episodic experiences as scene-graph-based world instances, forming a reasoning and planning algorithm that enables targeted memory retrieval and guided navigation. To balance the exploration-recall trade-off, we introduce value-of-information-based stopping criteria that determines when the agent has gathered sufficient information. We evaluate our method on real-world experiments and introduce a new benchmark that spans popular simulation environments and actual industrial sites. Our approach significantly outperforms state-of-the-art baselines, yielding substantial gains in both answer accuracy and exploration efficiency.
Mustafar: Promoting Unstructured Sparsity for KV Cache Pruning in LLM Inference
We demonstrate that unstructured sparsity significantly improves KV cache compression for LLMs, enabling sparsity levels up to 70% without compromising accuracy or requiring fine-tuning. We conduct a systematic exploration of pruning strategies and find per-token magnitude-based pruning as highly effective for both Key and Value caches under unstructured sparsity, surpassing prior structured pruning schemes. The Key cache benefits from prominent outlier elements, while the Value cache surprisingly benefits from a simple magnitude-based pruning despite its uniform distribution. KV cache size is the major bottleneck in decode performance due to high memory overhead for large context lengths. To address this, we use a bitmap-based sparse format and a custom attention kernel capable of compressing and directly computing over compressed caches pruned to arbitrary sparsity patterns, significantly accelerating memory-bound operations in decode computations and thereby compensating for the overhead of runtime pruning and compression. Our custom attention kernel coupled with the bitmap-based format delivers substantial compression of KV cache upto 45% of dense inference and thereby enables longer context length and increased tokens/sec throughput of upto 2.23x compared to dense inference. Our pruning mechanism and sparse attention kernel is available at https://github.com/dhjoo98/mustafar.
Is Multi-Agent Debate (MAD) the Silver Bullet? An Empirical Analysis of MAD in Code Summarization and Translation
Large Language Models (LLMs) have advanced autonomous agents' planning and decision-making, yet they struggle with complex tasks requiring diverse expertise and multi-step reasoning. Multi-Agent Debate (MAD) systems, introduced in NLP research, address this gap by enabling structured debates among LLM-based agents to refine solutions iteratively. MAD promotes divergent thinking through role-specific agents, dynamic interactions, and structured decision-making. Recognizing parallels between Software Engineering (SE) and collaborative human problem-solving, this study investigates MAD's effectiveness on two SE tasks. We adapt MAD systems from NLP, analyze agent interactions to assess consensus-building and iterative refinement, and propose two enhancements targeting observed weaknesses. Our findings show that structured debate and collaboration improve problem-solving and yield strong performance in some cases, highlighting MAD's potential for SE automation while identifying areas for exploration.
Navigating the Unknown: A Chat-Based Collaborative Interface for Personalized Exploratory Tasks
The rise of large language models (LLMs) has revolutionized user interactions with knowledge-based systems, enabling chatbots to synthesize vast amounts of information and assist with complex, exploratory tasks. However, LLM-based chatbots often struggle to provide personalized support, particularly when users start with vague queries or lack sufficient contextual information. This paper introduces the Collaborative Assistant for Personalized Exploration (CARE), a system designed to enhance personalization in exploratory tasks by combining a multi-agent LLM framework with a structured user interface. CARE's interface consists of a Chat Panel, Solution Panel, and Needs Panel, enabling iterative query refinement and dynamic solution generation. The multi-agent framework collaborates to identify both explicit and implicit user needs, delivering tailored, actionable solutions. In a within-subject user study with 22 participants, CARE was consistently preferred over a baseline LLM chatbot, with users praising its ability to reduce cognitive load, inspire creativity, and provide more tailored solutions. Our findings highlight CARE's potential to transform LLM-based systems from passive information retrievers to proactive partners in personalized problem-solving and exploration.
On diffusion models for amortized inference: Benchmarking and improving stochastic control and sampling
We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.
ASTRA: Autonomous Spatial-Temporal Red-teaming for AI Software Assistants
AI coding assistants like GitHub Copilot are rapidly transforming software development, but their safety remains deeply uncertain-especially in high-stakes domains like cybersecurity. Current red-teaming tools often rely on fixed benchmarks or unrealistic prompts, missing many real-world vulnerabilities. We present ASTRA, an automated agent system designed to systematically uncover safety flaws in AI-driven code generation and security guidance systems. ASTRA works in three stages: (1) it builds structured domain-specific knowledge graphs that model complex software tasks and known weaknesses; (2) it performs online vulnerability exploration of each target model by adaptively probing both its input space, i.e., the spatial exploration, and its reasoning processes, i.e., the temporal exploration, guided by the knowledge graphs; and (3) it generates high-quality violation-inducing cases to improve model alignment. Unlike prior methods, ASTRA focuses on realistic inputs-requests that developers might actually ask-and uses both offline abstraction guided domain modeling and online domain knowledge graph adaptation to surface corner-case vulnerabilities. Across two major evaluation domains, ASTRA finds 11-66% more issues than existing techniques and produces test cases that lead to 17% more effective alignment training, showing its practical value for building safer AI systems.
TEG-DB: A Comprehensive Dataset and Benchmark of Textual-Edge Graphs
Text-Attributed Graphs (TAGs) augment graph structures with natural language descriptions, facilitating detailed depictions of data and their interconnections across various real-world settings. However, existing TAG datasets predominantly feature textual information only at the nodes, with edges typically represented by mere binary or categorical attributes. This lack of rich textual edge annotations significantly limits the exploration of contextual relationships between entities, hindering deeper insights into graph-structured data. To address this gap, we introduce Textual-Edge Graphs Datasets and Benchmark (TEG-DB), a comprehensive and diverse collection of benchmark textual-edge datasets featuring rich textual descriptions on nodes and edges. The TEG-DB datasets are large-scale and encompass a wide range of domains, from citation networks to social networks. In addition, we conduct extensive benchmark experiments on TEG-DB to assess the extent to which current techniques, including pre-trained language models, graph neural networks, and their combinations, can utilize textual node and edge information. Our goal is to elicit advancements in textual-edge graph research, specifically in developing methodologies that exploit rich textual node and edge descriptions to enhance graph analysis and provide deeper insights into complex real-world networks. The entire TEG-DB project is publicly accessible as an open-source repository on Github, accessible at https://github.com/Zhuofeng-Li/TEG-Benchmark.
What Fundamental Structure in Reward Functions Enables Efficient Sparse-Reward Learning?
What fundamental properties of reward functions enable efficient sparse-reward reinforcement learning? We address this question through the lens of low-rank structure in reward matrices, showing that such structure induces a sharp transition from exponential to polynomial sample complexity, the first result of this kind for sparse-reward RL. We introduce Policy-Aware Matrix Completion (PAMC), which connects matrix completion theory with reinforcement learning via a new analysis of policy-dependent sampling. Our framework provides: (i) impossibility results for general sparse reward observation, (ii) reward-free representation learning from dynamics, (iii) distribution-free confidence sets via conformal prediction, and (iv) robust completion guarantees that degrade gracefully when low-rank structure is only approximate. Empirically, we conduct a pre-registered evaluation across 100 systematically sampled domains, finding exploitable structure in over half. PAMC improves sample efficiency by factors between 1.6 and 2.1 compared to strong exploration, structured, and representation-learning baselines, while adding only about 20 percent computational overhead.These results establish structural reward learning as a promising new paradigm, with immediate implications for robotics, healthcare, and other safety-critical, sample-expensive applications.
Recent Advance in 3D Object and Scene Generation: A Survey
In recent years, the demand for 3D content has grown exponentially with intelligent upgrading of interactive media, extended reality (XR), and Metaverse industries. In order to overcome the limitation of traditional manual modeling approaches, such as labor-intensive workflows and prolonged production cycles, revolutionary advances have been achieved through the convergence of novel 3D representation paradigms and artificial intelligence generative technologies. In this survey, we conduct a systematically review of the cutting-edge achievements in static 3D object and scene generation, as well as establish a comprehensive technical framework through systematic categorization. Specifically, we initiate our analysis with mainstream 3D object representations, followed by in-depth exploration of two principal technical pathways in object generation: data-driven supervised learning methods and deep generative model-based approaches. Regarding scene generation, we focus on three dominant paradigms: layout-guided compositional synthesis, 2D prior-based scene generation, and rule-driven modeling. Finally, we critically examine persistent challenges in 3D generation and propose potential research directions for future investigation. This survey aims to provide readers with a structured understanding of state-of-the-art 3D generation technologies while inspiring researchers to undertake more exploration in this domain.
Don't Just Fine-tune the Agent, Tune the Environment
Large Language Model (LLM) agents show great promise for complex, multi-turn tool-use tasks, but their development is often hampered by the extreme scarcity of high-quality training data. Supervised fine-tuning (SFT) on synthetic data leads to overfitting, whereas standard reinforcement learning (RL) struggles with a critical cold-start problem and training instability. To address these challenges, we introduce Environment Tuning, a novel training paradigm that enables agents to learn complex behaviors directly from problem instances without relying on pre-collected expert trajectories. Environment Tuning orchestrates this learning process through a structured curriculum, actionable environment augmentation that provides corrective feedback, and fine-grained progress rewards to ensure stable and efficient exploration. Using only 400 problem instances from Berkeley Function-Calling Leaderboard (BFCL) benchmark, our method not only achieves competitive in-distribution performance against strong baselines but also demonstrates superior out-of-distribution generalization, overcoming the performance collapse common to SFT-based approaches. Our work presents a paradigm shift from supervised fine-tuning on static trajectories to dynamic, environment-based exploration, paving the way for training more robust and data-efficient agents.
Assessing LLMs for Serendipity Discovery in Knowledge Graphs: A Case for Drug Repurposing
Large Language Models (LLMs) have greatly advanced knowledge graph question answering (KGQA), yet existing systems are typically optimized for returning highly relevant but predictable answers. A missing yet desired capacity is to exploit LLMs to suggest surprise and novel ("serendipitious") answers. In this paper, we formally define the serendipity-aware KGQA task and propose the SerenQA framework to evaluate LLMs' ability to uncover unexpected insights in scientific KGQA tasks. SerenQA includes a rigorous serendipity metric based on relevance, novelty, and surprise, along with an expert-annotated benchmark derived from the Clinical Knowledge Graph, focused on drug repurposing. Additionally, it features a structured evaluation pipeline encompassing three subtasks: knowledge retrieval, subgraph reasoning, and serendipity exploration. Our experiments reveal that while state-of-the-art LLMs perform well on retrieval, they still struggle to identify genuinely surprising and valuable discoveries, underscoring a significant room for future improvements. Our curated resources and extended version are released at: https://cwru-db-group.github.io/serenQA.
Adapting LLM Agents Through Communication
Recent advancements in large language models (LLMs) have shown potential for human-like agents. To help these agents adapt to new tasks without extensive human supervision, we propose the Learning through Communication (LTC) paradigm, a novel training approach enabling LLM agents to improve continuously through interactions with their environments and other agents. Recent advancements in large language models (LLMs) have shown potential for human-like agents. To help these agents adapt to new tasks without extensive human supervision, we propose the Learning through Communication (LTC) paradigm, a novel training approach enabling LLM agents to improve continuously through interactions with their environments and other agents. Through iterative exploration and PPO training, LTC empowers the agent to assimilate short-term experiences into long-term memory. To optimize agent interactions for task-specific learning, we introduce three structured communication patterns: Monologue, Dialogue, and Analogue-tailored for common tasks such as decision-making, knowledge-intensive reasoning, and numerical reasoning. We evaluated LTC on three datasets: ALFWorld (decision-making), HotpotQA (knowledge-intensive reasoning), and GSM8k (numerical reasoning). On ALFWorld, it exceeds the instruction tuning baseline by 12% in success rate. On HotpotQA, LTC surpasses the instruction-tuned LLaMA-7B agent by 5.1% in EM score, and it outperforms the instruction-tuned 9x larger PaLM-62B agent by 0.6%. On GSM8k, LTC outperforms the CoT-Tuning baseline by 3.6% in accuracy. The results showcase the versatility and efficiency of the LTC approach across diverse domains. We will open-source our code to promote further development of the community.
LiveOIBench: Can Large Language Models Outperform Human Contestants in Informatics Olympiads?
Competitive programming problems increasingly serve as valuable benchmarks to evaluate the coding capabilities of large language models (LLMs) due to their complexity and ease of verification. Yet, current coding benchmarks face limitations such as lack of exceptionally challenging problems, insufficient test case coverage, reliance on online platform APIs that limit accessibility. To address these issues, we introduce LiveOIBench, a comprehensive benchmark featuring 403 expert-curated Olympiad-level competitive programming problems, each with an average of 60 expert-designed test cases. The problems are sourced directly from 72 official Informatics Olympiads in different regions conducted between 2023 and 2025. LiveOIBench distinguishes itself through four key features: (1) meticulously curated high-quality tasks with detailed subtask rubrics and extensive private test cases; (2) direct integration of elite contestant performance data to enable informative comparison against top-performing humans; (3) planned continuous, contamination-free updates from newly released Olympiad problems; and (4) a self-contained evaluation system facilitating offline and easy-to-reproduce assessments. Benchmarking 32 popular general-purpose and reasoning LLMs, we find that GPT-5 achieves a notable 81.76th percentile, a strong result that nonetheless falls short of top human contestant performance, who usually place above 90th. In contrast, among open-weight reasoning models, GPT-OSS-120B achieves only a 60th percentile, underscoring significant capability disparities from frontier closed models. Detailed analyses indicate that robust reasoning models prioritize precise problem analysis over excessive exploration, suggesting future models should emphasize structured analysis and minimize unnecessary exploration. All data, code, and leaderboard results will be made publicly available on our website.
Bench2FreeAD: A Benchmark for Vision-based End-to-end Navigation in Unstructured Robotic Environments
Most current end-to-end (E2E) autonomous driving algorithms are built on standard vehicles in structured transportation scenarios, lacking exploration of robot navigation for unstructured scenarios such as auxiliary roads, campus roads, and indoor settings. This paper investigates E2E robot navigation in unstructured road environments. First, we introduce two data collection pipelines - one for real-world robot data and another for synthetic data generated using the Isaac Sim simulator, which together produce an unstructured robotics navigation dataset -- FreeWorld Dataset. Second, we fine-tuned an efficient E2E autonomous driving model -- VAD -- using our datasets to validate the performance and adaptability of E2E autonomous driving models in these environments. Results demonstrate that fine-tuning through our datasets significantly enhances the navigation potential of E2E autonomous driving models in unstructured robotic environments. Thus, this paper presents the first dataset targeting E2E robot navigation tasks in unstructured scenarios, and provides a benchmark based on vision-based E2E autonomous driving algorithms to facilitate the development of E2E navigation technology for logistics and service robots. The project is available on Github.
GPTKB v1.5: A Massive Knowledge Base for Exploring Factual LLM Knowledge
Language models are powerful tools, yet their factual knowledge is still poorly understood, and inaccessible to ad-hoc browsing and scalable statistical analysis. This demonstration introduces GPTKB v1.5, a densely interlinked 100-million-triple knowledge base (KB) built for $14,000 from GPT-4.1, using the GPTKB methodology for massive-recursive LLM knowledge materialization (Hu et al., ACL 2025). The demonstration experience focuses on three use cases: (1) link-traversal-based LLM knowledge exploration, (2) SPARQL-based structured LLM knowledge querying, (3) comparative exploration of the strengths and weaknesses of LLM knowledge. Massive-recursive LLM knowledge materialization is a groundbreaking opportunity both for the research area of systematic analysis of LLM knowledge, as well as for automated KB construction. The GPTKB demonstrator is accessible at https://gptkb.org.
FILM: Following Instructions in Language with Modular Methods
Recent methods for embodied instruction following are typically trained end-to-end using imitation learning. This often requires the use of expert trajectories and low-level language instructions. Such approaches assume that neural states will integrate multimodal semantics to perform state tracking, building spatial memory, exploration, and long-term planning. In contrast, we propose a modular method with structured representations that (1) builds a semantic map of the scene and (2) performs exploration with a semantic search policy, to achieve the natural language goal. Our modular method achieves SOTA performance (24.46 %) with a substantial (8.17 % absolute) gap from previous work while using less data by eschewing both expert trajectories and low-level instructions. Leveraging low-level language, however, can further increase our performance (26.49 %). Our findings suggest that an explicit spatial memory and a semantic search policy can provide a stronger and more general representation for state-tracking and guidance, even in the absence of expert trajectories or low-level instructions.
DeepSearch: Overcome the Bottleneck of Reinforcement Learning with Verifiable Rewards via Monte Carlo Tree Search
Although RLVR has become an essential component for developing advanced reasoning skills in LLMs, contemporary studies have documented training plateaus that emerge following thousands of optimization steps, demonstrating notable decreases in performance gains despite increased computational investment. This limitation stems from the sparse exploration patterns inherent in current RLVR practices, where models rely on limited rollouts that often miss critical reasoning paths and fail to provide systematic coverage of the solution space. We present DeepSearch, a framework that integrates Monte Carlo Tree Search directly into RLVR training. In contrast to existing methods that rely on tree search only at inference, DeepSearch embeds structured search into the training loop, enabling systematic exploration and fine-grained credit assignment across reasoning steps. Through training-time exploration, DeepSearch addresses the fundamental bottleneck of insufficient exploration, which leads to diminishing performance improvements over prolonged training steps. Our contributions include: (1) a global frontier selection strategy that prioritizes promising nodes across the search tree, (2) selection with entropy-based guidance that identifies confident paths for supervision, and (3) adaptive replay buffer training with solution caching for efficiency. Experiments on mathematical reasoning benchmarks show that DeepSearch achieves 62.95% average accuracy and establishes a new state-of-the-art for 1.5B reasoning models - using 5.7x fewer GPU hours than extended training approaches. These results highlight the importance of strategic exploration over brute-force scaling and demonstrate the promise of algorithmic innovation for advancing RLVR methodologies. DeepSearch establishes a new direction for scaling reasoning capabilities through systematic search rather than prolonged computation.
Decoding the Poetic Language of Emotion in Korean Modern Poetry: Insights from a Human-Labeled Dataset and AI Modeling
This study introduces KPoEM (Korean Poetry Emotion Mapping) , a novel dataset for computational emotion analysis in modern Korean poetry. Despite remarkable progress in text-based emotion classification using large language models, poetry-particularly Korean poetry-remains underexplored due to its figurative language and cultural specificity. We built a multi-label emotion dataset of 7,662 entries, including 7,007 line-level entries from 483 poems and 615 work-level entries, annotated with 44 fine-grained emotion categories from five influential Korean poets. A state-of-the-art Korean language model fine-tuned on this dataset significantly outperformed previous models, achieving 0.60 F1-micro compared to 0.34 from models trained on general corpora. The KPoEM model, trained through sequential fine-tuning-first on general corpora and then on the KPoEM dataset-demonstrates not only an enhanced ability to identify temporally and culturally specific emotional expressions, but also a strong capacity to preserve the core sentiments of modern Korean poetry. This study bridges computational methods and literary analysis, presenting new possibilities for the quantitative exploration of poetic emotions through structured data that faithfully retains the emotional and cultural nuances of Korean literature.
Learning to Retrieve and Reason on Knowledge Graph through Active Self-Reflection
Extensive research has investigated the integration of large language models (LLMs) with knowledge graphs to enhance the reasoning process. However, understanding how models perform reasoning utilizing structured graph knowledge remains underexplored. Most existing approaches rely on LLMs or retrievers to make binary judgments regarding the utilization of knowledge, which is too coarse. Meanwhile, there is still a lack of feedback mechanisms for reflection and correction throughout the entire reasoning path. This paper proposes an Active self-Reflection framework for knowledge Graph reasoning ARG, introducing for the first time an end-to-end training approach to achieve iterative reasoning grounded on structured graphs. Within the framework, the model leverages special tokens to actively determine whether knowledge retrieval is necessary, performs reflective critique based on the retrieved knowledge, and iteratively reasons over the knowledge graph. The reasoning paths generated by the model exhibit high interpretability, enabling deeper exploration of the model's understanding of structured knowledge. Ultimately, the proposed model achieves outstanding results compared to existing baselines in knowledge graph reasoning tasks.
MIRAGE: Scaling Test-Time Inference with Parallel Graph-Retrieval-Augmented Reasoning Chains
Large reasoning models (LRMs) have shown significant progress in test-time scaling through chain-of-thought prompting. Current approaches like search-o1 integrate retrieval augmented generation (RAG) into multi-step reasoning processes but rely on a single, linear reasoning chain while incorporating unstructured textual information in a flat, context-agnostic manner. As a result, these approaches can lead to error accumulation throughout the reasoning chain, which significantly limits its effectiveness in medical question-answering (QA) tasks where both accuracy and traceability are critical requirements. To address these challenges, we propose MIRAGE (Multi-chain Inference with Retrieval-Augmented Graph Exploration), a novel test-time scalable reasoning framework that performs dynamic multi-chain inference over structured medical knowledge graphs. Specifically, MIRAGE 1) decomposes complex queries into entity-grounded sub-questions, 2) executes parallel inference chains, 3) retrieves evidence adaptively via neighbor expansion and multi-hop traversal, and 4) integrates answers using cross-chain verification to resolve contradictions. Experiments on three medical QA benchmarks (GenMedGPT-5k, CMCQA, and ExplainCPE) show that MIRAGE consistently outperforms GPT-4o, Tree-of-Thought variants, and other retrieval-augmented baselines in both automatic and human evaluations. Additionally, MIRAGE improves interpretability by generating explicit reasoning chains that trace each factual claim to concrete chains within the knowledge graph, making it well-suited for complex medical reasoning scenarios. The code will be available for further research.
Diffusion Policy Policy Optimization
We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io
Hierarchical Budget Policy Optimization for Adaptive Reasoning
Large reasoning models achieve remarkable performance through extensive chain-of-thought generation, yet exhibit significant computational inefficiency by applying uniform reasoning strategies regardless of problem complexity. We present Hierarchical Budget Policy Optimization (HBPO), a reinforcement learning framework that enables models to learn problem-specific reasoning depths without sacrificing capability. HBPO addresses the fundamental challenge of exploration space collapse in efficiency-oriented training, where penalties on long output length systematically bias models away from necessary long reasoning paths. Through hierarchical budget exploration, our approach partitions rollout samples into multiple subgroups with distinct token budgets, aiming to enable efficient resource allocation while preventing degradation of capability. We introduce differentiated reward mechanisms that create budget-aware incentives aligned with the complexity of the problem, allowing models to discover natural correspondences between task requirements and computational effort. Extensive experiments demonstrate that HBPO reduces average token usage by up to 60.6% while improving accuracy by 3.14% across four reasoning benchmarks. Unlike existing methods that impose external constraints or rely on discrete mode selection, HBPO exhibits emergent adaptive behavior where models automatically adjust reasoning depth based on problem complexity. Our results suggest that reasoning efficiency and capability are not inherently conflicting, and can be simultaneously optimized through appropriately structured hierarchical training that preserves exploration diversity.
Multi-hop Reasoning via Early Knowledge Alignment
Retrieval-Augmented Generation (RAG) has emerged as a powerful paradigm for Large Language Models (LLMs) to address knowledge-intensive queries requiring domain-specific or up-to-date information. To handle complex multi-hop questions that are challenging for single-step retrieval, iterative RAG approaches incorporating reinforcement learning have been proposed. However, existing iterative RAG systems typically plan to decompose questions without leveraging information about the available retrieval corpus, leading to inefficient retrieval and reasoning chains that cascade into suboptimal performance. In this paper, we introduce Early Knowledge Alignment (EKA), a simple but effective module that aligns LLMs with retrieval set before planning in iterative RAG systems with contextually relevant retrieved knowledge. Extensive experiments on six standard RAG datasets demonstrate that by establishing a stronger reasoning foundation, EKA significantly improves retrieval precision, reduces cascading errors, and enhances both performance and efficiency. Our analysis from an entropy perspective demonstrate that incorporating early knowledge reduces unnecessary exploration during the reasoning process, enabling the model to focus more effectively on relevant information subsets. Moreover, EKA proves effective as a versatile, training-free inference strategy that scales seamlessly to large models. Generalization tests across diverse datasets and retrieval corpora confirm the robustness of our approach. Overall, EKA advances the state-of-the-art in iterative RAG systems while illuminating the critical interplay between structured reasoning and efficient exploration in reinforcement learning-augmented frameworks. The code is released at https://github.com/yxzwang/EarlyKnowledgeAlignment{Github}.
Empirical Evaluation of Knowledge Distillation from Transformers to Subquadratic Language Models
Knowledge distillation is a widely used technique for compressing large language models (LLMs), in which a smaller student model is trained to mimic a larger teacher model. Typically, both the teacher and student models are Transformer-based architectures, leveraging softmax attention for sequence modeling. However, the quadratic complexity of self-attention during inference remains a significant bottleneck, motivating the exploration of subquadratic alternatives such as structured state-space models (SSMs), linear attention, and recurrent architectures. In this work, we systematically evaluate the transferability of knowledge distillation from a Transformer teacher model to eight subquadratic student architectures. Our study investigates which subquadratic model can most effectively approximate the teacher model's learned representations through knowledge distillation, and how different architectural design choices influence the training dynamics. We further investigate the impact of initialization strategies, such as matrix mixing and query-key-value (QKV) copying, on the adaptation process. Our empirical results on multiple NLP benchmarks provide insights into the trade-offs between efficiency and performance, highlighting key factors for successful knowledge transfer to subquadratic architectures.
GeoViS: Geospatially Rewarded Visual Search for Remote Sensing Visual Grounding
Recent advances in multimodal large language models(MLLMs) have led to remarkable progress in visual grounding, enabling fine-grained cross-modal alignment between textual queries and image regions. However, transferring such capabilities to remote sensing imagery remains challenging, as targets are often extremely small within kilometer-scale scenes, and queries typically involve intricate geospatial relations such as relative positions, spatial hierarchies, or contextual dependencies across distant objects. To address these challenges, we propose GeoViS, a Geospatially Rewarded Visual Search framework that reformulates remote sensing visual grounding as a progressive search-and-reasoning process. Rather than directly predicting the target location in a single step, GeoViS actively explores the global image through a tree-structured sequence of visual cues, integrating multimodal perception, spatial reasoning, and reward-guided exploration to refine geospatial hypotheses iteratively. This design enables the model to detect subtle small-scale targets while maintaining holistic scene awareness. Extensive experiments on five remote sensing grounding benchmarks demonstrate that GeoViS achieves precise geospatial understanding and consistently surpasses existing methods across key visual grounding metrics, highlighting its strong cross-domain generalization and interpretability.
Only Train Once: A One-Shot Neural Network Training And Pruning Framework
Structured pruning is a commonly used technique in deploying deep neural networks (DNNs) onto resource-constrained devices. However, the existing pruning methods are usually heuristic, task-specified, and require an extra fine-tuning procedure. To overcome these limitations, we propose a framework that compresses DNNs into slimmer architectures with competitive performances and significant FLOPs reductions by Only-Train-Once (OTO). OTO contains two keys: (i) we partition the parameters of DNNs into zero-invariant groups, enabling us to prune zero groups without affecting the output; and (ii) to promote zero groups, we then formulate a structured-sparsity optimization problem and propose a novel optimization algorithm, Half-Space Stochastic Projected Gradient (HSPG), to solve it, which outperforms the standard proximal methods on group sparsity exploration and maintains comparable convergence. To demonstrate the effectiveness of OTO, we train and compress full models simultaneously from scratch without fine-tuning for inference speedup and parameter reduction, and achieve state-of-the-art results on VGG16 for CIFAR10, ResNet50 for CIFAR10 and Bert for SQuAD and competitive result on ResNet50 for ImageNet. The source code is available at https://github.com/tianyic/only_train_once.
Advances and Challenges in Foundation Agents: From Brain-Inspired Intelligence to Evolutionary, Collaborative, and Safe Systems
The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated reasoning, robust perception, and versatile action across diverse domains. As these agents increasingly drive AI research and practical applications, their design, evaluation, and continuous improvement present intricate, multifaceted challenges. This survey provides a comprehensive overview, framing intelligent agents within a modular, brain-inspired architecture that integrates principles from cognitive science, neuroscience, and computational research. We structure our exploration into four interconnected parts. First, we delve into the modular foundation of intelligent agents, systematically mapping their cognitive, perceptual, and operational modules onto analogous human brain functionalities, and elucidating core components such as memory, world modeling, reward processing, and emotion-like systems. Second, we discuss self-enhancement and adaptive evolution mechanisms, exploring how agents autonomously refine their capabilities, adapt to dynamic environments, and achieve continual learning through automated optimization paradigms, including emerging AutoML and LLM-driven optimization strategies. Third, we examine collaborative and evolutionary multi-agent systems, investigating the collective intelligence emerging from agent interactions, cooperation, and societal structures, highlighting parallels to human social dynamics. Finally, we address the critical imperative of building safe, secure, and beneficial AI systems, emphasizing intrinsic and extrinsic security threats, ethical alignment, robustness, and practical mitigation strategies necessary for trustworthy real-world deployment.
Developmental Curiosity and Social Interaction in Virtual Agents
Infants explore their complex physical and social environment in an organized way. To gain insight into what intrinsic motivations may help structure this exploration, we create a virtual infant agent and place it in a developmentally-inspired 3D environment with no external rewards. The environment has a virtual caregiver agent with the capability to interact contingently with the infant agent in ways that resemble play. We test intrinsic reward functions that are similar to motivations that have been proposed to drive exploration in humans: surprise, uncertainty, novelty, and learning progress. These generic reward functions lead the infant agent to explore its environment and discover the contingencies that are embedded into the caregiver agent. The reward functions that are proxies for novelty and uncertainty are the most successful in generating diverse experiences and activating the environment contingencies. We also find that learning a world model in the presence of an attentive caregiver helps the infant agent learn how to predict scenarios with challenging social and physical dynamics. Taken together, our findings provide insight into how curiosity-like intrinsic rewards and contingent social interaction lead to dynamic social behavior and the creation of a robust predictive world model.
Classical Glasses, Black Holes, and Strange Quantum Liquids
From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.
From Density to Geometry: YOLOv8 Instance Segmentation for Reverse Engineering of Optimized Structures
This paper introduces YOLOv8-TO, a novel approach for reverse engineering of topology-optimized structures into interpretable geometric parameters using the YOLOv8 instance segmentation model. Density-based topology optimization methods require post-processing to convert the optimal density distribution into a parametric representation for design exploration and integration with CAD tools. Traditional methods such as skeletonization struggle with complex geometries and require manual intervention. YOLOv8-TO addresses these challenges by training a custom YOLOv8 model to automatically detect and reconstruct structural components from binary density distributions. The model is trained on a diverse dataset of both optimized and random structures generated using the Moving Morphable Components method. A custom reconstruction loss function based on the dice coefficient of the predicted geometry is used to train the new regression head of the model via self-supervised learning. The method is evaluated on test sets generated from different topology optimization methods, including out-of-distribution samples, and compared against a skeletonization approach. Results show that YOLOv8-TO significantly outperforms skeletonization in reconstructing visually and structurally similar designs. The method showcases an average improvement of 13.84% in the Dice coefficient, with peak enhancements reaching 20.78%. The method demonstrates good generalization to complex geometries and fast inference times, making it suitable for integration into design workflows using regular workstations. Limitations include the sensitivity to non-max suppression thresholds. YOLOv8-TO represents a significant advancement in topology optimization post-processing, enabling efficient and accurate reverse engineering of optimized structures for design exploration and manufacturing.
From structure mining to unsupervised exploration of atomic octahedral networks
Networks of atom-centered coordination octahedra commonly occur in inorganic and hybrid solid-state materials. Characterizing their spatial arrangements and characteristics is crucial for relating structures to properties for many materials families. The traditional method using case-by-case inspection becomes prohibitive for discovering trends and similarities in large datasets. Here, we operationalize chemical intuition to automate the geometric parsing, quantification, and classification of coordination octahedral networks. We find axis-resolved tilting trends in ABO_{3} perovskite polymorphs, which assist in detecting oxidation state changes. Moreover, we develop a scale-invariant encoding scheme to represent these networks, which, combined with human-assisted unsupervised machine learning, allows us to taxonomize the inorganic framework polytypes in hybrid iodoplumbates (A_xPb_yI_z). Consequently, we uncover a violation of Pauling's third rule and the design principles underpinning their topological diversity. Our results offer a glimpse into the vast design space of atomic octahedral networks and inform high-throughput, targeted screening of specific structure types.
AcTExplore: Active Tactile Exploration of Unknown Objects
Tactile exploration plays a crucial role in understanding object structures for fundamental robotics tasks such as grasping and manipulation. However, efficiently exploring such objects using tactile sensors is challenging, primarily due to the large-scale unknown environments and limited sensing coverage of these sensors. To this end, we present AcTExplore, an active tactile exploration method driven by reinforcement learning for object reconstruction at scales that automatically explores the object surfaces in a limited number of steps. Through sufficient exploration, our algorithm incrementally collects tactile data and reconstructs 3D shapes of the objects as well, which can serve as a representation for higher-level downstream tasks. Our method achieves an average of 95.97% IoU coverage on unseen YCB objects while just being trained on primitive shapes. Project Webpage: https://prg.cs.umd.edu/AcTExplore
StructBERT: Incorporating Language Structures into Pre-training for Deep Language Understanding
Recently, the pre-trained language model, BERT (and its robustly optimized version RoBERTa), has attracted a lot of attention in natural language understanding (NLU), and achieved state-of-the-art accuracy in various NLU tasks, such as sentiment classification, natural language inference, semantic textual similarity and question answering. Inspired by the linearization exploration work of Elman [8], we extend BERT to a new model, StructBERT, by incorporating language structures into pre-training. Specifically, we pre-train StructBERT with two auxiliary tasks to make the most of the sequential order of words and sentences, which leverage language structures at the word and sentence levels, respectively. As a result, the new model is adapted to different levels of language understanding required by downstream tasks. The StructBERT with structural pre-training gives surprisingly good empirical results on a variety of downstream tasks, including pushing the state-of-the-art on the GLUE benchmark to 89.0 (outperforming all published models), the F1 score on SQuAD v1.1 question answering to 93.0, the accuracy on SNLI to 91.7.
Knowledge is reward: Learning optimal exploration by predictive reward cashing
There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex information gathering tasks. However, the computational complexity of the resulting optimal control problem has limited the diffusion of the theory to mainstream deep AI research. In this paper we exploit the inherent mathematical structure of Bayes-adaptive problems in order to dramatically simplify the problem by making the reward structure denser while simultaneously decoupling the learning of exploitation and exploration policies. The key to this simplification comes from the novel concept of cross-value (i.e. the value of being in an environment while acting optimally according to another), which we use to quantify the value of currently available information. This results in a new denser reward structure that "cashes in" all future rewards that can be predicted from the current information state. In a set of experiments we show that the approach makes it possible to learn challenging information gathering tasks without the use of shaping and heuristic bonuses in situations where the standard RL algorithms fail.
Unlocking Korean Verbs: A User-Friendly Exploration into the Verb Lexicon
The Sejong dictionary dataset offers a valuable resource, providing extensive coverage of morphology, syntax, and semantic representation. This dataset can be utilized to explore linguistic information in greater depth. The labeled linguistic structures within this dataset form the basis for uncovering relationships between words and phrases and their associations with target verbs. This paper introduces a user-friendly web interface designed for the collection and consolidation of verb-related information, with a particular focus on subcategorization frames. Additionally, it outlines our efforts in mapping this information by aligning subcategorization frames with corresponding illustrative sentence examples. Furthermore, we provide a Python library that would simplify syntactic parsing and semantic role labeling. These tools are intended to assist individuals interested in harnessing the Sejong dictionary dataset to develop applications for Korean language processing.
Representations and Exploration for Deep Reinforcement Learning using Singular Value Decomposition
Representation learning and exploration are among the key challenges for any deep reinforcement learning agent. In this work, we provide a singular value decomposition based method that can be used to obtain representations that preserve the underlying transition structure in the domain. Perhaps interestingly, we show that these representations also capture the relative frequency of state visitations, thereby providing an estimate for pseudo-counts for free. To scale this decomposition method to large-scale domains, we provide an algorithm that never requires building the transition matrix, can make use of deep networks, and also permits mini-batch training. Further, we draw inspiration from predictive state representations and extend our decomposition method to partially observable environments. With experiments on multi-task settings with partially observable domains, we show that the proposed method can not only learn useful representation on DM-Lab-30 environments (that have inputs involving language instructions, pixel images, and rewards, among others) but it can also be effective at hard exploration tasks in DM-Hard-8 environments.
DendroMap: Visual Exploration of Large-Scale Image Datasets for Machine Learning with Treemaps
In this paper, we present DendroMap, a novel approach to interactively exploring large-scale image datasets for machine learning (ML). ML practitioners often explore image datasets by generating a grid of images or projecting high-dimensional representations of images into 2-D using dimensionality reduction techniques (e.g., t-SNE). However, neither approach effectively scales to large datasets because images are ineffectively organized and interactions are insufficiently supported. To address these challenges, we develop DendroMap by adapting Treemaps, a well-known visualization technique. DendroMap effectively organizes images by extracting hierarchical cluster structures from high-dimensional representations of images. It enables users to make sense of the overall distributions of datasets and interactively zoom into specific areas of interests at multiple levels of abstraction. Our case studies with widely-used image datasets for deep learning demonstrate that users can discover insights about datasets and trained models by examining the diversity of images, identifying underperforming subgroups, and analyzing classification errors. We conducted a user study that evaluates the effectiveness of DendroMap in grouping and searching tasks by comparing it with a gridified version of t-SNE and found that participants preferred DendroMap. DendroMap is available at https://div-lab.github.io/dendromap/.
TARDIS STRIDE: A Spatio-Temporal Road Image Dataset for Exploration and Autonomy
World models aim to simulate environments and enable effective agent behavior. However, modeling real-world environments presents unique challenges as they dynamically change across both space and, crucially, time. To capture these composed dynamics, we introduce a Spatio-Temporal Road Image Dataset for Exploration (STRIDE) permuting 360-degree panoramic imagery into rich interconnected observation, state and action nodes. Leveraging this structure, we can simultaneously model the relationship between egocentric views, positional coordinates, and movement commands across both space and time. We benchmark this dataset via TARDIS, a transformer-based generative world model that integrates spatial and temporal dynamics through a unified autoregressive framework trained on STRIDE. We demonstrate robust performance across a range of agentic tasks such as controllable photorealistic image synthesis, instruction following, autonomous self-control, and state-of-the-art georeferencing. These results suggest a promising direction towards sophisticated generalist agents--capable of understanding and manipulating the spatial and temporal aspects of their material environments--with enhanced embodied reasoning capabilities. Training code, datasets, and model checkpoints are made available at https://huggingface.co/datasets/Tera-AI/STRIDE.
Foundation Models for Discovery and Exploration in Chemical Space
Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to efficiently navigate chemical space. Scientific foundation models trained on large unlabeled datasets offer a path toward exploring chemical space across diverse application domains. Here we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenization scheme that comprehensively captures nuclear, electronic, and geometric information, MIST learns from a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure -- property relationships and match or exceed state-of-the-art performance across benchmarks spanning physiology, electrochemistry, and quantum chemistry. We demonstrate the ability of these models to solve real-world problems across chemical space, including multiobjective electrolyte solvent screening, olfactory perception mapping, isotope half-life prediction, stereochemical reasoning for chiral organometallic compounds, and binary and multi-component mixture property prediction. Probing MIST models using mechanistic interpretability methods reveals identifiable patterns and trends not explicitly present in the training data, suggesting that the models learn generalizable scientific concepts. We formulate hyperparameter-penalized Bayesian neural scaling laws and use them to reduce the computational cost of model development by an order of magnitude. The methods and findings presented here represent a significant step toward accelerating materials discovery, design, and optimization using foundation models and provide valuable guidance for training compute-optimal scientific foundation models.
A catalog of ringed galaxies in the TNG50 simulation: Analysis of their properties and structure
The catalog of ringed galaxies was compiled through visual classification of synthetic images from the TNG50 simulation. Galaxies were selected based on specific criteria: a redshift range of 0.01 < z < 0.1, stellar mass M_star >10^9 M_odot, stellar half-mass radius r_{50} > 1 kpc, and specific star formation rate (sSFR), log(sSFR/yr^{-1}) > -13. Our classification allowed for differentiation between inner rings, outer rings, combinations of rings, and partial rings (pseudo-rings), including barred and non-barred ringed galaxies. We constructed a control sample of non-ringed galaxies with similar redshift, stellar mass, and environmental density distributions. We identified 807 ringed galaxies. Approximately 59% possess an inner ring, 22% a partial ring, 12% an outer ring, and 7% have i+o rings. Our statistical analysis reveals that 64% (507 galaxies) exhibit bars. Ringed galaxies exhibit lower efficiency for star formation, reduced gas fractions, redder colors, and higher metallicities compared to non-ringed disk objects. They also show greater variability in metallicity for a given stellar mass. From the analysis of radial profiles, galaxies with outer rings exhibit a r_{50} similar to or slightly larger than their control group, while those with inner or partial rings tend to have smaller sizes. A deeper exploration of radial density profiles revealed a pronounced central mass deficit preceding the ring structures, with inner and outer rings located at r_{50} and 1.5 , r_{50}, respectively. Galaxies with both i+o rings have inner rings that are more compact and massive. Additionally, galaxies with partial rings exhibit deeper mass profiles than their controls, particularly in central areas. These findings improve our understanding of galactic evolution and the complex interplay between mass distribution and morphology.
Approaching an unknown communication system by latent space exploration and causal inference
This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.
From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?
Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective optimization in protein design. Yet whether RL can push PLMs beyond their pretraining priors to uncover latent sequence-structure-function rules remains unclear. We address this by pairing RL with PLMs across four domains: antimicrobial peptide design, kinase variant optimization, antibody engineering, and inverse folding. Using diverse RL algorithms and model classes, we ask if RL improves sampling efficiency and, more importantly, if it reveals capabilities not captured by supervised learning. Across benchmarks, RL consistently boosts success rates and sample efficiency. Performance follows a three-factor interaction: task headroom, reward fidelity, and policy capacity jointly determine gains. When rewards are accurate and informative, policies have sufficient capacity, and tasks leave room beyond supervised baselines, improvements scale; when rewards are noisy or capacity is constrained, gains saturate despite exploration. This view yields practical guidance for RL in protein design: prioritize reward modeling and calibration before scaling policy size, match algorithm and regularization strength to task difficulty, and allocate capacity where marginal gains are largest. Implementation is available at https://github.com/chq1155/RL-PLM.
Bohdi: Heterogeneous LLM Fusion with Automatic Data Exploration
Heterogeneous Large Language Model (LLM) fusion integrates the strengths of multiple source LLMs with different architectures into a target LLM with low computational overhead. While promising, existing methods suffer from two major limitations: 1) reliance on real data from limited domain for knowledge fusion, preventing the target LLM from fully acquiring knowledge across diverse domains, and 2) fixed data allocation proportions across domains, failing to dynamically adjust according to the target LLM's varying capabilities across domains, leading to a capability imbalance. To overcome these limitations, we propose Bohdi, a synthetic-data-only heterogeneous LLM fusion framework. Through the organization of knowledge domains into a hierarchical tree structure, Bohdi enables automatic domain exploration and multi-domain data generation through multi-model collaboration, thereby comprehensively extracting knowledge from source LLMs. By formalizing domain expansion and data sampling proportion allocation on the knowledge tree as a Hierarchical Multi-Armed Bandit problem, Bohdi leverages the designed DynaBranches mechanism to adaptively adjust sampling proportions based on the target LLM's performance feedback across domains. Integrated with our proposed Introspection-Rebirth (IR) mechanism, DynaBranches dynamically tracks capability shifts during target LLM's updates via Sliding Window Binomial Likelihood Ratio Testing (SWBLRT), further enhancing its online adaptation capability. Comparative experimental results on a comprehensive suite of benchmarks demonstrate that Bohdi significantly outperforms existing baselines on multiple target LLMs, exhibits higher data efficiency, and virtually eliminates the imbalance in the target LLM's capabilities. Our code is available at https://github.com/gjq100/Bohdi.git.
DB-Explore: Automated Database Exploration and Instruction Synthesis for Text-to-SQL
Recent text-to-SQL systems powered by large language models (LLMs) have demonstrated remarkable performance in translating natural language queries into SQL. However, these systems often struggle with complex database structures and domain-specific queries, as they primarily focus on enhancing logical reasoning and SQL syntax while overlooking the critical need for comprehensive database understanding. To address this limitation, we propose DB-Explore, a novel framework that systematically aligns LLMs with database knowledge through automated exploration and instruction synthesis. DB-Explore constructs database graphs to capture complex relational schemas, leverages GPT-4 to systematically mine structural patterns and semantic knowledge, and synthesizes instructions to distill this knowledge for efficient fine-tuning of LLMs. Our framework enables comprehensive database understanding through diverse sampling strategies and automated instruction generation, bridging the gap between database structures and language models. Experiments conducted on the SPIDER and BIRD benchmarks validate the effectiveness of DB-Explore, achieving an execution accuracy of 52.1% on BIRD and 84.0% on SPIDER. Notably, our open-source implementation, based on the Qwen2.5-coder-7B model, outperforms multiple GPT-4-driven text-to-SQL systems in comparative evaluations, and achieves near state-of-the-art performance with minimal computational cost.
A Study of Global and Episodic Bonuses for Exploration in Contextual MDPs
Exploration in environments which differ across episodes has received increasing attention in recent years. Current methods use some combination of global novelty bonuses, computed using the agent's entire training experience, and episodic novelty bonuses, computed using only experience from the current episode. However, the use of these two types of bonuses has been ad-hoc and poorly understood. In this work, we shed light on the behavior of these two types of bonuses through controlled experiments on easily interpretable tasks as well as challenging pixel-based settings. We find that the two types of bonuses succeed in different settings, with episodic bonuses being most effective when there is little shared structure across episodes and global bonuses being effective when more structure is shared. We develop a conceptual framework which makes this notion of shared structure precise by considering the variance of the value function across contexts, and which provides a unifying explanation of our empirical results. We furthermore find that combining the two bonuses can lead to more robust performance across different degrees of shared structure, and investigate different algorithmic choices for defining and combining global and episodic bonuses based on function approximation. This results in an algorithm which sets a new state of the art across 16 tasks from the MiniHack suite used in prior work, and also performs robustly on Habitat and Montezuma's Revenge.
Beyond the Exploration-Exploitation Trade-off: A Hidden State Approach for LLM Reasoning in RLVR
A prevailing view in Reinforcement Learning for Verifiable Rewards (RLVR) interprets recent progress through the lens of an exploration-exploitation trade-off, a perspective largely shaped by token-level metrics. We re-examine this perspective, proposing that this perceived trade-off may not be a fundamental constraint but rather an artifact of the measurement level. To investigate this, we shift the analysis to the semantically rich hidden-state space, adopting Effective Rank (ER) to quantify exploration and proposing its novel first- and second-order derivatives, named Effective Rank Velocity (ERV) and Effective Rank Acceleration (ERA), to capture exploitation dynamics. Our analysis reveals that at the hidden-state level, exploration and exploitation could be decoupled (Sec. 4). This finding reveals an opportunity to enhance both capacities simultaneously. This insight motivates our method, Velocity-Exploiting Rank-Learning (VERL), the first to operationalize the principle of synergistic exploration-exploitation enhancement by directly shaping the RL advantage function. The key innovation is leveraging the theoretically stable ERA as a predictive meta-controller to create a synergistic, dual-channel incentive structure. Instead of forcing a trade-off, VERL prospectively amplifies rewards for exploration to preempt overconfidence and reinforces exploitative gains to consolidate reasoning. Experiments across diverse LLMs and reasoning benchmarks show consistent gains, including up to 21.4% absolute accuracy improvement on the challenging Gaokao 2024 dataset.
Concept Decomposition for Visual Exploration and Inspiration
A creative idea is often born from transforming, combining, and modifying ideas from existing visual examples capturing various concepts. However, one cannot simply copy the concept as a whole, and inspiration is achieved by examining certain aspects of the concept. Hence, it is often necessary to separate a concept into different aspects to provide new perspectives. In this paper, we propose a method to decompose a visual concept, represented as a set of images, into different visual aspects encoded in a hierarchical tree structure. We utilize large vision-language models and their rich latent space for concept decomposition and generation. Each node in the tree represents a sub-concept using a learned vector embedding injected into the latent space of a pretrained text-to-image model. We use a set of regularizations to guide the optimization of the embedding vectors encoded in the nodes to follow the hierarchical structure of the tree. Our method allows to explore and discover new concepts derived from the original one. The tree provides the possibility of endless visual sampling at each node, allowing the user to explore the hidden sub-concepts of the object of interest. The learned aspects in each node can be combined within and across trees to create new visual ideas, and can be used in natural language sentences to apply such aspects to new designs.
TreeCoder: Systematic Exploration and Optimisation of Decoding and Constraints for LLM Code Generation
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.
GUI-ReWalk: Massive Data Generation for GUI Agent via Stochastic Exploration and Intent-Aware Reasoning
Graphical User Interface (GUI) Agents, powered by large language and vision-language models, hold promise for enabling end-to-end automation in digital environments. However, their progress is fundamentally constrained by the scarcity of scalable, high-quality trajectory data. Existing data collection strategies either rely on costly and inconsistent manual annotations or on synthetic generation methods that trade off between diversity and meaningful task coverage. To bridge this gap, we present GUI-ReWalk: a reasoning-enhanced, multi-stage framework for synthesizing realistic and diverse GUI trajectories. GUI-ReWalk begins with a stochastic exploration phase that emulates human trial-and-error behaviors, and progressively transitions into a reasoning-guided phase where inferred goals drive coherent and purposeful interactions. Moreover, it supports multi-stride task generation, enabling the construction of long-horizon workflows across multiple applications. By combining randomness for diversity with goal-aware reasoning for structure, GUI-ReWalk produces data that better reflects the intent-aware, adaptive nature of human-computer interaction. We further train Qwen2.5-VL-7B on the GUI-ReWalk dataset and evaluate it across multiple benchmarks, including Screenspot-Pro, OSWorld-G, UI-Vision, AndroidControl, and GUI-Odyssey. Results demonstrate that GUI-ReWalk enables superior coverage of diverse interaction flows, higher trajectory entropy, and more realistic user intent. These findings establish GUI-ReWalk as a scalable and data-efficient framework for advancing GUI agent research and enabling robust real-world automation.
Parameter Space Noise for Exploration
Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.
Describing Videos by Exploiting Temporal Structure
Recent progress in using recurrent neural networks (RNNs) for image description has motivated the exploration of their application for video description. However, while images are static, working with videos requires modeling their dynamic temporal structure and then properly integrating that information into a natural language description. In this context, we propose an approach that successfully takes into account both the local and global temporal structure of videos to produce descriptions. First, our approach incorporates a spatial temporal 3-D convolutional neural network (3-D CNN) representation of the short temporal dynamics. The 3-D CNN representation is trained on video action recognition tasks, so as to produce a representation that is tuned to human motion and behavior. Second we propose a temporal attention mechanism that allows to go beyond local temporal modeling and learns to automatically select the most relevant temporal segments given the text-generating RNN. Our approach exceeds the current state-of-art for both BLEU and METEOR metrics on the Youtube2Text dataset. We also present results on a new, larger and more challenging dataset of paired video and natural language descriptions.
Graph Counselor: Adaptive Graph Exploration via Multi-Agent Synergy to Enhance LLM Reasoning
Graph Retrieval Augmented Generation (GraphRAG) effectively enhances external knowledge integration capabilities by explicitly modeling knowledge relationships, thereby improving the factual accuracy and generation quality of Large Language Models (LLMs) in specialized domains. However, existing methods suffer from two inherent limitations: 1) Inefficient Information Aggregation: They rely on a single agent and fixed iterative patterns, making it difficult to adaptively capture multi-level textual, structural, and degree information within graph data. 2) Rigid Reasoning Mechanism: They employ preset reasoning schemes, which cannot dynamically adjust reasoning depth nor achieve precise semantic correction. To overcome these limitations, we propose Graph Counselor, an GraphRAG method based on multi-agent collaboration. This method uses the Adaptive Graph Information Extraction Module (AGIEM), where Planning, Thought, and Execution Agents work together to precisely model complex graph structures and dynamically adjust information extraction strategies, addressing the challenges of multi-level dependency modeling and adaptive reasoning depth. Additionally, the Self-Reflection with Multiple Perspectives (SR) module improves the accuracy and semantic consistency of reasoning results through self-reflection and backward reasoning mechanisms. Experiments demonstrate that Graph Counselor outperforms existing methods in multiple graph reasoning tasks, exhibiting higher reasoning accuracy and generalization ability. Our code is available at https://github.com/gjq100/Graph-Counselor.git.
3D VR Sketch Guided 3D Shape Prototyping and Exploration
3D shape modeling is labor-intensive, time-consuming, and requires years of expertise. To facilitate 3D shape modeling, we propose a 3D shape generation network that takes a 3D VR sketch as a condition. We assume that sketches are created by novices without art training and aim to reconstruct geometrically realistic 3D shapes of a given category. To handle potential sketch ambiguity, our method creates multiple 3D shapes that align with the original sketch's structure. We carefully design our method, training the model step-by-step and leveraging multi-modal 3D shape representation to support training with limited training data. To guarantee the realism of generated 3D shapes we leverage the normalizing flow that models the distribution of the latent space of 3D shapes. To encourage the fidelity of the generated 3D shapes to an input sketch, we propose a dedicated loss that we deploy at different stages of the training process. The code is available at https://github.com/Rowl1ng/3Dsketch2shape.
From Parameters to Performance: A Data-Driven Study on LLM Structure and Development
Large language models (LLMs) have achieved remarkable success across various domains, driving significant technological advancements and innovations. Despite the rapid growth in model scale and capability, systematic, data-driven research on how structural configurations affect performance remains scarce. To address this gap, we present a large-scale dataset encompassing diverse open-source LLM structures and their performance across multiple benchmarks. Leveraging this dataset, we conduct a systematic, data mining-driven analysis to validate and quantify the relationship between structural configurations and performance. Our study begins with a review of the historical development of LLMs and an exploration of potential future trends. We then analyze how various structural choices impact performance across benchmarks and further corroborate our findings using mechanistic interpretability techniques. By providing data-driven insights into LLM optimization, our work aims to guide the targeted development and application of future models. We will release our dataset at https://huggingface.co/datasets/DX0369/LLM-Structure-Performance-Dataset
Deliberate Reasoning for LLMs as Structure-aware Planning with Accurate World Model
Enhancing the reasoning capabilities of large language models (LLMs) remains a key challenge, especially for tasks that require complex, multi-step decision-making. Humans excel at these tasks by leveraging deliberate planning with an internal world model to simulate the potential outcomes of various actions. Inspired by this, we propose a novel multi-step reasoning framework for LLMs, referred to as Structure-aware Planning with Accurate World Model (SWAP). Unlike previous approaches that rely solely on Chain-of-Thought (CoT) reasoning in natural language, SWAP incorporates structural information to guide the reasoning process via a world model and provides a soft verification mechanism over the steps. Moreover, SWAP overcomes the challenge of accurate world state predictions in complex reasoning tasks by introducing a Generator-Discriminator architecture, which enables more reliable world modeling. Specifically, the generator predicts the next state, and the discriminator ensures alignment with the logical consistency required by the problem context. SWAP also encourages the policy model to explore a broad range of potential actions to prevent premature convergence. By resolving the bottlenecks of generation diversity for both actions and states using diversity-based modeling (DBM) and improving discrimination accuracy through contrastive ranking (CR), SWAP significantly enhances the reasoning performance of LLMs. We evaluate SWAP across diverse reasoning-intensive benchmarks including math reasoning, logical reasoning, and coding tasks. Extensive experiments demonstrate that SWAP achieves substantial improvements over the baselines and consistently outperforms existing LLMs of similar sizes.
Sample Efficient Myopic Exploration Through Multitask Reinforcement Learning with Diverse Tasks
Multitask Reinforcement Learning (MTRL) approaches have gained increasing attention for its wide applications in many important Reinforcement Learning (RL) tasks. However, while recent advancements in MTRL theory have focused on the improved statistical efficiency by assuming a shared structure across tasks, exploration--a crucial aspect of RL--has been largely overlooked. This paper addresses this gap by showing that when an agent is trained on a sufficiently diverse set of tasks, a generic policy-sharing algorithm with myopic exploration design like epsilon-greedy that are inefficient in general can be sample-efficient for MTRL. To the best of our knowledge, this is the first theoretical demonstration of the "exploration benefits" of MTRL. It may also shed light on the enigmatic success of the wide applications of myopic exploration in practice. To validate the role of diversity, we conduct experiments on synthetic robotic control environments, where the diverse task set aligns with the task selection by automatic curriculum learning, which is empirically shown to improve sample-efficiency.
Low-Switching Policy Gradient with Exploration via Online Sensitivity Sampling
Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.
Enhancing the Protein Tertiary Structure Prediction by Multiple Sequence Alignment Generation
The field of protein folding research has been greatly advanced by deep learning methods, with AlphaFold2 (AF2) demonstrating exceptional performance and atomic-level precision. As co-evolution is integral to protein structure prediction, AF2's accuracy is significantly influenced by the depth of multiple sequence alignment (MSA), which requires extensive exploration of a large protein database for similar sequences. However, not all protein sequences possess abundant homologous families, and consequently, AF2's performance can degrade on such queries, at times failing to produce meaningful results. To address this, we introduce a novel generative language model, MSA-Augmenter, which leverages protein-specific attention mechanisms and large-scale MSAs to generate useful, novel protein sequences not currently found in databases. These sequences supplement shallow MSAs, enhancing the accuracy of structural property predictions. Our experiments on CASP14 demonstrate that MSA-Augmenter can generate de novo sequences that retain co-evolutionary information from inferior MSAs, thereby improving protein structure prediction quality on top of strong AF2.
MagicWorld: Interactive Geometry-driven Video World Exploration
Recent interactive video world model methods generate scene evolution conditioned on user instructions. Although they achieve impressive results, two key limitations remain. First, they fail to fully exploit the correspondence between instruction-driven scene motion and the underlying 3D geometry, which results in structural instability under viewpoint changes. Second, they easily forget historical information during multi-step interaction, resulting in error accumulation and progressive drift in scene semantics and structure. To address these issues, we propose MagicWorld, an interactive video world model that integrates 3D geometric priors and historical retrieval. MagicWorld starts from a single scene image, employs user actions to drive dynamic scene evolution, and autoregressively synthesizes continuous scenes. We introduce the Action-Guided 3D Geometry Module (AG3D), which constructs a point cloud from the first frame of each interaction and the corresponding action, providing explicit geometric constraints for viewpoint transitions and thereby improving structural consistency. We further propose History Cache Retrieval (HCR) mechanism, which retrieves relevant historical frames during generation and injects them as conditioning signals, helping the model utilize past scene information and mitigate error accumulation. Experimental results demonstrate that MagicWorld achieves notable improvements in scene stability and continuity across interaction iterations.
Monte Carlo Tree Search for Comprehensive Exploration in LLM-Based Automatic Heuristic Design
Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.
RoboEXP: Action-Conditioned Scene Graph via Interactive Exploration for Robotic Manipulation
We introduce the novel task of interactive scene exploration, wherein robots autonomously explore environments and produce an action-conditioned scene graph (ACSG) that captures the structure of the underlying environment. The ACSG accounts for both low-level information (geometry and semantics) and high-level information (action-conditioned relationships between different entities) in the scene. To this end, we present the Robotic Exploration (RoboEXP) system, which incorporates the Large Multimodal Model (LMM) and an explicit memory design to enhance our system's capabilities. The robot reasons about what and how to explore an object, accumulating new information through the interaction process and incrementally constructing the ACSG. Leveraging the constructed ACSG, we illustrate the effectiveness and efficiency of our RoboEXP system in facilitating a wide range of real-world manipulation tasks involving rigid, articulated objects, nested objects, and deformable objects.
A Systematic Study of Joint Representation Learning on Protein Sequences and Structures
Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based tasks, but their direct adaptation to tasks involving protein structures remains a challenge. In contrast, structure-based methods leverage 3D structural information with graph neural networks and geometric pre-training methods show potential in function prediction tasks, but still suffers from the limited number of available structures. To bridge this gap, our study undertakes a comprehensive exploration of joint protein representation learning by integrating a state-of-the-art PLM (ESM-2) with distinct structure encoders (GVP, GearNet, CDConv). We introduce three representation fusion strategies and explore different pre-training techniques. Our method achieves significant improvements over existing sequence- and structure-based methods, setting new state-of-the-art for function annotation. This study underscores several important design choices for fusing protein sequence and structure information. Our implementation is available at https://github.com/DeepGraphLearning/ESM-GearNet.
Exploitation Is All You Need... for Exploration
Ensuring sufficient exploration is a central challenge when training meta-reinforcement learning (meta-RL) agents to solve novel environments. Conventional solutions to the exploration-exploitation dilemma inject explicit incentives such as randomization, uncertainty bonuses, or intrinsic rewards to encourage exploration. In this work, we hypothesize that an agent trained solely to maximize a greedy (exploitation-only) objective can nonetheless exhibit emergent exploratory behavior, provided three conditions are met: (1) Recurring Environmental Structure, where the environment features repeatable regularities that allow past experience to inform future choices; (2) Agent Memory, enabling the agent to retain and utilize historical interaction data; and (3) Long-Horizon Credit Assignment, where learning propagates returns over a time frame sufficient for the delayed benefits of exploration to inform current decisions. Through experiments in stochastic multi-armed bandits and temporally extended gridworlds, we observe that, when both structure and memory are present, a policy trained on a strictly greedy objective exhibits information-seeking exploratory behavior. We further demonstrate, through controlled ablations, that emergent exploration vanishes if either environmental structure or agent memory is absent (Conditions 1 & 2). Surprisingly, removing long-horizon credit assignment (Condition 3) does not always prevent emergent exploration-a result we attribute to the pseudo-Thompson Sampling effect. These findings suggest that, under the right prerequisites, exploration and exploitation need not be treated as orthogonal objectives but can emerge from a unified reward-maximization process.
BPP-Search: Enhancing Tree of Thought Reasoning for Mathematical Modeling Problem Solving
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.
AutoMLGen: Navigating Fine-Grained Optimization for Coding Agents
Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on expert intervention and repeated adjustments rather than simply generating correct code. When applied directly to these tasks, LLMs often lack fine-grained domain priors, and existing MLE approaches that use linear or tree-structured searches limit knowledge transfer to adjacent hierarchical links. As a result, they cannot leverage past full trajectories or share information across branches, limiting self-evolving ability and search space diversity. To address these limitations, we introduce AutoMLGen, an LLM-based coding agent that integrates a domain knowledge base for high-quality prior guidance and Monte Carlo Graph Search (MCGS) for efficient exploration. MCGS retains the tree-guided exploration of MCTS while embedding a graph structure into the expansion stage to enable dynamic path reorganization, historical trajectory reuse, and multi-solution fusion to support both self-evolution and collaborative learning. Combined with fine-grained operator sets, this design improves stability and accelerates convergence. Evaluation on the MLE-Bench shows that AutoMLGen achieves state-of-the-art performance in numerous dimensions, such as the average medal rate and the valid submission rate, under a 12-hour budget (half the standard runtime). The code is available at https://github.com/Alpha-Innovator/InternAgent.
UI Layout Generation with LLMs Guided by UI Grammar
The recent advances in Large Language Models (LLMs) have stimulated interest among researchers and industry professionals, particularly in their application to tasks concerning mobile user interfaces (UIs). This position paper investigates the use of LLMs for UI layout generation. Central to our exploration is the introduction of UI grammar -- a novel approach we proposed to represent the hierarchical structure inherent in UI screens. The aim of this approach is to guide the generative capacities of LLMs more effectively and improve the explainability and controllability of the process. Initial experiments conducted with GPT-4 showed the promising capability of LLMs to produce high-quality user interfaces via in-context learning. Furthermore, our preliminary comparative study suggested the potential of the grammar-based approach in improving the quality of generative results in specific aspects.
Sel3DCraft: Interactive Visual Prompts for User-Friendly Text-to-3D Generation
Text-to-3D (T23D) generation has transformed digital content creation, yet remains bottlenecked by blind trial-and-error prompting processes that yield unpredictable results. While visual prompt engineering has advanced in text-to-image domains, its application to 3D generation presents unique challenges requiring multi-view consistency evaluation and spatial understanding. We present Sel3DCraft, a visual prompt engineering system for T23D that transforms unstructured exploration into a guided visual process. Our approach introduces three key innovations: a dual-branch structure combining retrieval and generation for diverse candidate exploration; a multi-view hybrid scoring approach that leverages MLLMs with innovative high-level metrics to assess 3D models with human-expert consistency; and a prompt-driven visual analytics suite that enables intuitive defect identification and refinement. Extensive testing and user studies demonstrate that Sel3DCraft surpasses other T23D systems in supporting creativity for designers.
HAPO: Training Language Models to Reason Concisely via History-Aware Policy Optimization
While scaling the length of responses at test-time has been shown to markedly improve the reasoning abilities and performance of large language models (LLMs), it often results in verbose outputs and increases inference cost. Prior approaches for efficient test-time scaling, typically using universal budget constraints or query-level length optimization, do not leverage historical information from previous encounters with the same problem during training. We hypothesize that this limits their ability to progressively make solutions more concise over time. To address this, we present History-Aware Policy Optimization (HAPO), which keeps track of a history state (e.g., the minimum length over previously generated correct responses) for each problem. HAPO employs a novel length reward function based on this history state to incentivize the discovery of correct solutions that are more concise than those previously found. Crucially, this reward structure avoids overly penalizing shorter incorrect responses with the goal of facilitating exploration towards more efficient solutions. By combining this length reward with a correctness reward, HAPO jointly optimizes for correctness and efficiency. We use HAPO to train DeepSeek-R1-Distill-Qwen-1.5B, DeepScaleR-1.5B-Preview, and Qwen-2.5-1.5B-Instruct, and evaluate HAPO on several math benchmarks that span various difficulty levels. Experiment results demonstrate that HAPO effectively induces LLMs' concise reasoning abilities, producing length reductions of 33-59% with accuracy drops of only 2-5%.
Towards Realistic Project-Level Code Generation via Multi-Agent Collaboration and Semantic Architecture Modeling
In recent years, Large Language Models (LLMs) have achieved remarkable progress in automated code generation. In real-world software engineering, the growing demand for rapid iteration and continuous delivery underscores the importance of project-level code generation, where LLMs are expected to generate complete software projects directly from complex user requirements. Although existing studies have made initial explorations, they still face key limitations, including unrealistic datasets and unreliable evaluation metrics that fail to reflect real-world complexity, the semantic gap between human-written requirements and machine-interpretable structures, and difficulties in managing hierarchical dependencies and maintaining quality throughout the generation process. To address these limitations, we first introduce CodeProjectEval, a project-level code generation dataset built from 18 real-world repositories with 12.7 files and 2,388.6 lines of code per task on average, supplemented with documentation and executable test cases for automatic evaluation. We further propose ProjectGen, a multi-agent framework that decomposes projects into architecture design, skeleton generation, and code filling stages with iterative refinement and memory-based context management. Within this framework, we introduce the Semantic Software Architecture Tree (SSAT), a structured and semantically rich representation that effectively bridges user requirements and source code implementation. Experiments show that ProjectGen achieves state-of-the-art performance, passing 52/124 test cases on the small-scale project-level code generation dataset DevBench, a 57% improvement over the baseline approaches, and 310 test cases on CodeProjectEval, representing an improvement of roughly tenfold compared to the baselines.
