Wenjie Zhang

Tong Xie, Yuwei Wan, Wei Huang et al.

Emerging tools bring forth fresh approaches to work, and the field of natural science is no different. In natural science, traditional manual, serial, and labour-intensive work is being augmented by automated, parallel, and iterative processes driven by artificial intelligence-based experimental automation and more. To add new capabilities in natural science, enabling the acceleration and enrichment of automation of the discovery process, we present DARWIN, a series of tailored LLMs for natural science, mainly in physics, chemistry, and material science. This series relies on open-source LLM, incorporating structured and unstructured scientific knowledge from public datasets and literature. We fine-tuned the models using over 60,000 instruction data points, emphasizing factual correctness. During the fine-tuning, we introduce the Scientific Instruction Generation (SIG) model, automating instruction generation from scientific texts. This eliminates the need for manual extraction or domain-specific knowledge graphs and efficiently injects scientific knowledge into the model. We also explore multi-task training strategies, revealing interconnections between scientific tasks. DARWIN series not only achieves state-of-the-art results on various scientific tasks but also diminishes reliance on closed-source AI models. Our research showcases the ability of LLM in the scientific domain, with the overarching goal of fostering prosperity within the broader AI for science community.

Anthony Cioppa, Silvio Giancola, Vladimir Somers et al. · pku

The SoccerNet 2023 challenges were the third annual video understanding challenges organized by the SoccerNet team. For this third edition, the challenges were composed of seven vision-based tasks split into three main themes. The first theme, broadcast video understanding, is composed of three high-level tasks related to describing events occurring in the video broadcasts: (1) action spotting, focusing on retrieving all timestamps related to global actions in soccer, (2) ball action spotting, focusing on retrieving all timestamps related to the soccer ball change of state, and (3) dense video captioning, focusing on describing the broadcast with natural language and anchored timestamps. The second theme, field understanding, relates to the single task of (4) camera calibration, focusing on retrieving the intrinsic and extrinsic camera parameters from images. The third and last theme, player understanding, is composed of three low-level tasks related to extracting information about the players: (5) re-identification, focusing on retrieving the same players across multiple views, (6) multiple object tracking, focusing on tracking players and the ball through unedited video streams, and (7) jersey number recognition, focusing on recognizing the jersey number of players from tracklets. Compared to the previous editions of the SoccerNet challenges, tasks (2-3-7) are novel, including new annotations and data, task (4) was enhanced with more data and annotations, and task (6) now focuses on end-to-end approaches. More information on the tasks, challenges, and leaderboards are available on https://www.soccer-net.org. Baselines and development kits can be found on https://github.com/SoccerNet.

Qingqiang Sun, Xuemin Lin, Ying Zhang et al.

Network alignment task, which aims to identify corresponding nodes in different networks, is of great significance for many subsequent applications. Without the need for labeled anchor links, unsupervised alignment methods have been attracting more and more attention. However, the topological consistency assumptions defined by existing methods are generally low-order and less accurate because only the edge-indiscriminative topological pattern is considered, which is especially risky in an unsupervised setting. To reposition the focus of the alignment process from low-order to higher-order topological consistency, in this paper, we propose a fully unsupervised network alignment framework named HTC. The proposed higher-order topological consistency is formulated based on edge orbits, which is merged into the information aggregation process of a graph convolutional network so that the alignment consistencies are transformed into the similarity of node embeddings. Furthermore, the encoder is trained to be multi-orbit-aware and then be refined to identify more trusted anchor links. Node correspondence is comprehensively evaluated by integrating all different orders of consistency. {In addition to sound theoretical analysis, the superiority of the proposed method is also empirically demonstrated through extensive experimental evaluation. On three pairs of real-world datasets and two pairs of synthetic datasets, our HTC consistently outperforms a wide variety of unsupervised and supervised methods with the least or comparable time consumption. It also exhibits robustness to structural noise as a result of our multi-orbit-aware training mechanism.

Yufan Sheng, Xin Cao, Yixiang Fang et al.

Spatial objects often come with textual information, such as Points of Interest (POIs) with their descriptions, which are referred to as geo-textual data. To retrieve such data, spatial keyword queries that take into account both spatial proximity and textual relevance have been extensively studied. Existing indexes designed for spatial keyword queries are mostly built based on the geo-textual data without considering the distribution of queries already received. However, previous studies have shown that utilizing the known query distribution can improve the index structure for future query processing. In this paper, we propose WISK, a learned index for spatial keyword queries, which self-adapts for optimizing querying costs given a query workload. One key challenge is how to utilize both structured spatial attributes and unstructured textual information during learning the index. We first divide the data objects into partitions, aiming to minimize the processing costs of the given query workload. We prove the NP-hardness of the partitioning problem and propose a machine learning model to find the optimal partitions. Then, to achieve more pruning power, we build a hierarchical structure based on the generated partitions in a bottom-up manner with a reinforcement learning-based approach. We conduct extensive experiments on real-world datasets and query workloads with various distributions, and the results show that WISK outperforms all competitors, achieving up to 8x speedup in querying time with comparable storage overhead.

Tong Xie, Yuwei Wan, Wei Huang et al.

The amount of data has growing significance in exploring cutting-edge materials and a number of datasets have been generated either by hand or automated approaches. However, the materials science field struggles to effectively utilize the abundance of data, especially in applied disciplines where materials are evaluated based on device performance rather than their properties. This article presents a new natural language processing (NLP) task called structured information inference (SII) to address the complexities of information extraction at the device level in materials science. We accomplished this task by tuning GPT-3 on an existing perovskite solar cell FAIR (Findable, Accessible, Interoperable, Reusable) dataset with 91.8% F1-score and extended the dataset with data published since its release. The produced data is formatted and normalized, enabling its direct utilization as input in subsequent data analysis. This feature empowers materials scientists to develop models by selecting high-quality review articles within their domain. Additionally, we designed experiments to predict the electrical performance of solar cells and design materials or devices with targeted parameters using large language models (LLMs). Our results demonstrate comparable performance to traditional machine learning methods without feature selection, highlighting the potential of LLMs to acquire scientific knowledge and design new materials akin to materials scientists.

Wenjie Zhang, Xiaoning Song, Zhenhua Feng et al.

Recently, prompt-based learning has gained popularity across many natural language processing (NLP) tasks by reformulating them into a cloze-style format to better align pre-trained language models (PLMs) with downstream tasks. However, applying this approach to relation classification poses unique challenges. Specifically, associating natural language words that fill the masked token with semantic relation labels (\textit{e.g.} \textit{``org:founded\_by}'') is difficult. To address this challenge, this paper presents a novel prompt-based learning method, namely LabelPrompt, for the relation classification task. Motivated by the intuition to ``GIVE MODEL CHOICES!'', we first define additional tokens to represent relation labels, which regard these tokens as the verbaliser with semantic initialisation and explicitly construct them with a prompt template method. Then, to mitigate inconsistency between predicted relations and given entities, we implement an entity-aware module with contrastive learning. Last, we conduct an attention query strategy within the self-attention layer to differentiates prompt tokens and sequence tokens. Together, these strategies enhance the adaptability of prompt-based learning, especially when only small labelled datasets is available. Comprehensive experiments on benchmark datasets demonstrate the superiority of our method, particularly in the few-shot scenario.

Zhiyuan Yan, Min Li, Zhengyuan Shi et al.

Boolean satisfiability problem (SAT) is fundamental to many applications. Existing works have used graph neural networks (GNNs) for (approximate) SAT solving. Typical GNN-based end-to-end SAT solvers predict SAT solutions concurrently. We show that for a group of symmetric SAT problems, the concurrent prediction is guaranteed to produce a wrong answer because it neglects the dependency among Boolean variables in SAT problems. % We propose AsymSAT, a GNN-based architecture which integrates recurrent neural networks to generate dependent predictions for variable assignments. The experiment results show that dependent variable prediction extends the solving capability of the GNN-based method as it improves the number of solved SAT instances on large test sets.

Linhao Luo, Yixiang Fang, Moli Lu et al.

Heterogeneous graphs, which contain nodes and edges of multiple types, are prevalent in various domains, including bibliographic networks, social media, and knowledge graphs. As a fundamental task in analyzing heterogeneous graphs, relevance measure aims to calculate the relevance between two objects of different types, which has been used in many applications such as web search, recommendation, and community detection. Most of existing relevance measures focus on homogeneous networks where objects are of the same type, and a few measures are developed for heterogeneous graphs, but they often need the pre-defined meta-path. Defining meaningful meta-paths requires much domain knowledge, which largely limits their applications, especially on schema-rich heterogeneous graphs like knowledge graphs. Recently, the Graph Neural Network (GNN) has been widely applied in many graph mining tasks, but it has not been applied for measuring relevance yet. To address the aforementioned problems, we propose a novel GNN-based relevance measure, namely GSim. Specifically, we first theoretically analyze and show that GNN is effective for measuring the relevance of nodes in the graph. We then propose a context path-based graph neural network (CP-GNN) to automatically leverage the semantics in heterogeneous graphs. Moreover, we exploit CP-GNN to support relevance measures between two objects of any type. Extensive experiments demonstrate that GSim outperforms existing measures.

Xiaomin Yu, Yi Xin, Yuhui Zhang et al.

Despite the success of multimodal contrastive learning in aligning visual and linguistic representations, a persistent geometric anomaly, the Modality Gap, remains: embeddings of distinct modalities expressing identical semantics occupy systematically offset regions. Prior approaches to bridge this gap are largely limited by oversimplified isotropic assumptions, hindering their application in large-scale scenarios. In this paper, we address these limitations by precisely characterizing the geometric shape of the modality gap and leveraging it for efficient model scaling. First, we propose the Fixed-frame Modality Gap Theory, which decomposes the modality gap within a frozen reference frame into stable biases and anisotropic residuals. Guided by this precise modeling, we introduce ReAlign, a training-free modality alignment strategy. Utilizing statistics from massive unpaired data, ReAlign aligns text representation into the image representation distribution via a three-step process comprising Anchor, Trace, and Centroid Alignment, thereby explicitly rectifying geometric misalignment. Building on ReAlign, we propose ReVision, a scalable training paradigm for Multimodal Large Language Models~(MLLMs). ReVision integrates ReAlign into the pretraining stage, enabling the model to learn the distribution of visual representations from unpaired text before visual instruction tuning, without the need for large-scale, high-quality image-text pairs. Our framework demonstrates that statistically aligned unpaired data can effectively substitute for expensive image-text pairs, offering a robust path for the efficient scaling of MLLMs.

Lingkai Meng, Long Yuan, Xuemin Lin et al.

Bipartite graphs are commonly used to model relationships between two distinct entities in real-world applications, such as user-product interactions, user-movie ratings and collaborations between authors and publications. A butterfly (a 2x2 bi-clique) is a critical substructure in bipartite graphs, playing a significant role in tasks like community detection, fraud detection, and link prediction. As more real-world data is presented in a streaming format, efficiently counting butterflies in streaming bipartite graphs has become increasingly important. However, most existing algorithms typically assume that duplicate edges are absent, which is hard to hold in real-world graph streams, as a result, they tend to sample edges that appear multiple times, leading to inaccurate results. The only algorithm designed to handle duplicate edges is FABLE, but it suffers from significant limitations, including high variance, substantial time complexity, and memory inefficiency due to its reliance on a priority queue. To overcome these limitations, we introduce DEABC (Duplicate-Edge-Aware Butterfly Counting), an innovative method that uses bucket-based priority sampling to accurately estimate the number of butterflies, accounting for duplicate edges. Compared to existing methods, DEABC significantly reduces memory usage by storing only the essential sampled edge data while maintaining high accuracy. We provide rigorous proofs of the unbiasedness and variance bounds for DEABC, ensuring they achieve high accuracy. We compare DEABC with state-of-the-art algorithms on real-world streaming bipartite graphs. The results show that our DEABC outperforms existing methods in memory efficiency and accuracy, while also achieving significantly higher throughput.

Na Li, Hangguan Shan, Wei Ni et al.

Actor-critic (AC) methods are a cornerstone of reinforcement learning (RL) but offer limited interpretability. Current explainable RL methods seldom use state attributions to assist training. Rather, they treat all state features equally, thereby neglecting the heterogeneous impacts of individual state dimensions on the reward. We propose RKHS-SHAP-based Advanced Actor-Critic (RSA2C), an attribution-aware, kernelized, two-timescale AC algorithm, including Actor, Value Critic, and Advantage Critic. The Actor is instantiated in a vector-valued reproducing kernel Hilbert space (RKHS) with a Mahalanobis-weighted operator-valued kernel, while the Value Critic and Advantage Critic reside in scalar RKHSs. These RKHS-enhanced components use sparsified dictionaries: the Value Critic maintains its own dictionary, while the Actor and Advantage Critic share one. State attributions, computed from the Value Critic via RKHS-SHAP (kernel mean embedding for on-manifold and conditional mean embedding for off-manifold expectations), are converted into Mahalanobis-gated weights that modulate Actor gradients and Advantage Critic targets. We derive a global, non-asymptotic convergence bound under state perturbations, showing stability through the perturbation-error term and efficiency through the convergence-error term. Empirical results on three continuous-control environments show that RSA2C achieves efficiency, stability, and interpretability.

Andres M Bran, Tong Xie, Shai Pranesh et al.

Large Language Models can develop reasoning capabilities through online fine-tuning with rule-based rewards. However, recent studies reveal a critical constraint: reinforcement learning succeeds only when the base model already assigns non-negligible probability to correct answers -- a property we term 'latent solvability'. This work investigates the emergence of chemical reasoning capabilities and what these prerequisites mean for chemistry. We identify two necessary conditions for RL-based chemical reasoning: 1) Symbolic competence, and 2) Latent chemical knowledge. We propose mid-stage scientific training (MiST): a set of mid-stage training techniques to satisfy these, including data-mixing with SMILES/CIF-aware pre-processing, continued pre-training on 2.9B tokens, and supervised fine-tuning on 1B tokens. These steps raise the latent-solvability score on 3B and 7B models by up to 1.8x, and enable RL to lift top-1 accuracy from 10.9 to 63.9% on organic reaction naming, and from 40.6 to 67.4% on inorganic material generation. Similar results are observed for other challenging chemical tasks, while producing interpretable reasoning traces. Our results define clear prerequisites for chemical reasoning training and highlight the broader role of mid-stage training in unlocking reasoning capabilities.

Jianke Yu, Hanchen Wang, Chen Chen et al.

Graph Neural Networks (GNNs) are vital in data science but are increasingly susceptible to adversarial attacks. To help researchers develop more robust GNN models, it's essential to focus on designing strong attack models as foundational benchmarks and guiding references. Among adversarial attacks, gray-box poisoning attacks are noteworthy due to their effectiveness and fewer constraints. These attacks exploit GNNs' need for retraining on updated data, thereby impacting their performance by perturbing these datasets. However, current research overlooks the real-world scenario of incomplete graphs. To address this gap, we introduce the Robust Incomplete Deep Attack Framework (RIDA). It is the first algorithm for robust gray-box poisoning attacks on incomplete graphs. The approach innovatively aggregates distant vertex information and ensures powerful data utilization. Extensive tests against 9 SOTA baselines on 3 real-world datasets demonstrate that RIDA's superiority in handling incompleteness and high attack performance on the incomplete graph.

Shiyin Lu, Yang Li, Yu Xia et al.

We present Ovis2.5, a successor to Ovis2 designed for native-resolution visual perception and strong multimodal reasoning. Ovis2.5 integrates a native-resolution vision transformer that processes images at their native, variable resolutions, avoiding the degradation from fixed-resolution tiling and preserving both fine detail and global layout -- crucial for visually dense content like complex charts. To strengthen reasoning, we train the model to move beyond linear chain-of-thought and perform reflection -- including self-checking and revision. This advanced capability is exposed as an optional "thinking mode" at inference time, allowing users to trade latency for enhanced accuracy on difficult inputs. The model is trained via a comprehensive five-phase curriculum that progressively builds its skills. The process begins with foundational visual and multimodal pretraining, advances through large-scale instruction tuning, and culminates in alignment and reasoning enhancement using DPO and GRPO. To scale these upgrades efficiently, we employ multimodal data packing and hybrid parallelism, yielding a significant end-to-end speedup. We release two open-source models: Ovis2.5-9B and Ovis2.5-2B. The latter continues the "small model, big performance" philosophy of Ovis2, making it ideal for resource-constrained, on-device scenarios. On the OpenCompass multimodal leaderboard, Ovis2.5-9B averages 78.3, marking a substantial improvement over its predecessor, Ovis2-8B, and achieving state-of-the-art results among open-source MLLMs in the sub-40B parameter range; Ovis2.5-2B scores 73.9, establishing SOTA for its size. Beyond aggregate scores, Ovis2.5 achieves leading results on STEM benchmarks, exhibits strong capabilities on grounding and video tasks, and achieves open-source SOTA at its scale for complex chart analysis.

Lincan Li, Wei Shao, Wei Dong et al.

The aspiration of the next generation's autonomous driving (AD) technology relies on the dedicated integration and interaction among intelligent perception, prediction, planning, and low-level control. There has been a huge bottleneck regarding the upper bound of autonomous driving algorithm performance, a consensus from academia and industry believes that the key to surmount the bottleneck lies in data-centric autonomous driving technology. Recent advancement in AD simulation, closed-loop model training, and AD big data engine have gained some valuable experience. However, there is a lack of systematic knowledge and deep understanding regarding how to build efficient data-centric AD technology for AD algorithm self-evolution and better AD big data accumulation. To fill in the identified research gaps, this article will closely focus on reviewing the state-of-the-art data-driven autonomous driving technologies, with an emphasis on the comprehensive taxonomy of autonomous driving datasets characterized by milestone generations, key features, data acquisition settings, etc. Furthermore, we provide a systematic review of the existing benchmark closed-loop AD big data pipelines from the industrial frontier, including the procedure of closed-loop frameworks, key technologies, and empirical studies. Finally, the future directions, potential applications, limitations and concerns are discussed to arouse efforts from both academia and industry for promoting the further development of autonomous driving. The project repository is available at: https://github.com/LincanLi98/Awesome-Data-Centric-Autonomous-Driving.

Xiwen Teoh, Yun Lin, Duc-Minh Nguyen et al.

Visual language model (VLM) agents show great promise in automating end-to-end (E2E) web testing against requirements in natural language. However, the probabilistic nature of language models can have inherent hallucinations. Therefore, given a detected inconsistency between the requirement and the web application, it is hard to distinguish whether it stems from the hallucination or a real application bug. Addressing this issue presents two core technical challenges: the implicit oracle inference challenge, where the agent must act as its own oracle to implicitly decide if the application's behavior is correct without guidance, and the probabilistic inference challenge, where an LLM's inconsistent reasoning undermines its trustworthiness as an oracle. Existing LLM-based approaches fail to capture such implicit oracles, either by treating any page navigation that doesn't crash as a success, or by checking each state in isolation, thus missing bugs dependent on context from prior steps. We introduce WebTestPilot, an LLM-based agent designed to address these challenges. WebTestPilot uses (1) a symbolization layer which detects and symbolizes critical GUI elements on the web application into symbols (i.e., variables) and (2) translates natural language specification into a sequence of steps, each of which is equipped with inferred pre- and post-conditions over the symbols as an oracle. This oracle captures data, temporal, and causal dependencies, enabling the validation of implicit requirements. To advance research in this area, we build a benchmark of bug-injected web apps for evaluating NL-to-E2E testing. The results show that WebTestPilot achieves a task completion rate of 99%, with 96% precision and 96% recall in bug detection, outperforming the best baseline (+70 precision, +27 recall). The agent generalizes across diverse natural language inputs and model scales.

Yuxin Jin, Siyuan Zhang, Hanchen Wang et al.

Large language model (LLM)-based agents have demonstrated strong capabilities in complex reasoning and problem solving through multi-step interactions, yet most deployed agents remain behaviorally static, with knowledge acquired during execution rarely translating into systematic improvement over time. In response, a growing line of work on self-evolving agents explores how agents can improve through experience during deployment, but most existing approaches either rely on ad hoc reflection limited to single-task correction or adopt unstructured memory that accumulates fragmented experience with delayed usability. To address this limitation, we introduce EXG, an experience graph framework for self-evolving agents that explicitly organizes accumulated successes and failures into a structured, relational representation. EXG is the first experience graph designed for self-evolving agents, supporting both online, real-time graph growth during execution for immediate cross-task experience reuse, and offline reuse of a consolidated experience graph as an external memory module. This design also enables EXG to serve as a plug-and-play component for existing self-evolving agents, organizing prior experience into a unified experience graph and improving both solution quality and resource efficiency as deployment progresses. Extensive experiments across code generation and reasoning benchmarks show that EXG attains more favorable performance-efficiency trade-offs than reflection- and memory-based baselines in both online and offline evaluations. Our results suggest that structuring experience as a graph provides a principled foundation for scalable and transferable self-evolving agent behavior.

Shaozhen Ma, Wei Huang, Hanchen Wang et al.

Conditional generative models, particularly diffusion-based methods, have recently been applied to graph prediction by modeling the target as a conditional distribution given the input graph, yielding competitive results compared to deterministic predictor. However, existing diffusion-based prediction methods typically require expensive iterative denoising at inference and often suffer from unstable sampling, which motivates recent efforts to reduce inference denoising steps and enable stable sampling via techniques such as consistency training. Despite this progress, we find that existing consistency training methods for graph prediction could potentially fall into a shortcut solution: the model may attempt to satisfy the self-consistency constraint by ignoring the noisy target (i.e., assigning it negligible weight), ultimately collapsing into a purely deterministic predictor. To mitigate such shortcut solution, we propose GCCM, a graph contrastive consistency model that goes beyond isolated pairwise matching between the same target at different noise levels by introducing negative pairs into a contrastive consistency objective. This adds an additional separation requirement, making the shortcut solution no longer trivially sufficient to satisfy the proposed objective. Moreover, we apply feature perturbation to the input node/edge features to break identical conditioning on the input graph, so that the shortcut no longer yields the same predictions across noise levels and becomes less attractive. Extensive experiments on benchmark datasets demonstrate that GCCM mitigates the shortcut solution and yields consistent performance improvements in graph prediction compared to deterministic predictors.

Mengqi Wang, Jianwei Wang, Qing Liu et al.

Error detection (ED), which aims to identify incorrect or inconsistent cell values in tabular data, is important for ensuring data quality. Recent state-of-the-art ED methods leverage the pre-trained knowledge and semantic capability embedded in large language models (LLMs) to directly label whether a cell is erroneous. However, this LLM-as-a-labeler pipeline (1) relies on the black box, implicit decision process, thus failing to provide explainability for the detection results, and (2) is highly sensitive to prompts, yielding inconsistent outputs due to inherent model stochasticity, therefore lacking robustness. To address these limitations, we propose an LLM-as-an-inducer framework that adopts LLM to induce the decision tree for ED (termed TreeED) and further ensembles multiple such trees for consensus detection (termed ForestED), thereby improving explainability and robustness. Specifically, based on prompts derived from data context, decision tree specifications and output requirements, TreeED queries the LLM to induce the decision tree skeleton, whose root-to-leaf decision paths specify the stepwise procedure for evaluating a given sample. Each tree contains three types of nodes: (1) rule nodes that perform simple validation checks (e.g., format or range), (2) Graph Neural Network (GNN) nodes that capture complex patterns (e.g., functional dependencies), and (3) leaf nodes that output the final decision types (error or clean). Furthermore, ForestED employs uncertainty-based sampling to obtain multiple row subsets, constructing a decision tree for each subset using TreeED. It then leverages an Expectation-Maximization-based algorithm that jointly estimates tree reliability and optimizes the consensus ED prediction. Extensive xperiments demonstrate that our methods are accurate, explainable and robust, achieving an average F1-score improvement of 16.1% over the best baseline.

Runze Li, Hanchen Wang, Wenjie Zhang et al.

Multivariate time series imputation is fundamental in applications such as healthcare, traffic forecasting, and biological modeling, where sensor failures and irregular sampling lead to pervasive missing values. However, existing Transformer- and diffusion-based models lack explicit inductive biases and frequency awareness, limiting their generalization under structured missing patterns and distribution shifts. We propose FADTI, a diffusion-based framework that injects frequency-informed feature modulation via a learnable Fourier Bias Projection (FBP) module and combines it with temporal modeling through self-attention and gated convolution. FBP supports multiple spectral bases, enabling adaptive encoding of both stationary and non-stationary patterns. This design injects frequency-domain inductive bias into the generative imputation process. Experiments on multiple benchmarks, including a newly introduced biological time series dataset, show that FADTI consistently outperforms state-of-the-art methods, particularly under high missing rates. Code is available at https://anonymous.4open.science/r/TimeSeriesImputation-52BF

Tong Xie, Yuwei Wan, Yixuan Liu et al.

Materials discovery and design aim to find compositions and structures with desirable properties over highly complex and diverse physical spaces. Traditional solutions, such as high-throughput simulations or machine learning, often rely on complex descriptors, which hinder generalizability and transferability across different material systems. Moreover, These descriptors may inadequately represent macro-scale material properties, which are influenced by structural imperfections and compositional variations in real-world samples, thus limiting their practical applicability. To address these challenges, we propose DARWIN 1.5, the largest open-source large language model tailored for materials science. By leveraging natural language as input, DARWIN eliminates the need for task-specific descriptors and enables a flexible, unified approach to material property prediction and discovery. Our approach integrates 6M material domain papers and 21 experimental datasets from 49,256 materials across modalities while enabling cross-task knowledge transfer. The enhanced model achieves up to 59.1% improvement in prediction accuracy over the base LLaMA-7B architecture and outperforms SOTA machine learning approaches across 8 materials design tasks. These results establish LLMs as a promising foundation for developing versatile and scalable models in materials science.

Yu Luo, Rongchen Gao, Lu Teng et al.

Logical reasoning encompasses deduction, induction, and abduction. However, while Large Language Models (LLMs) have effectively mastered the former two, abductive reasoning remains significantly underexplored. Existing frameworks, predominantly designed for static deductive tasks, fail to generalize to abductive reasoning due to unstructured state representation and lack of explicit state control. Consequently, they are inevitably prone to Evidence Fabrication, Context Drift, Failed Backtracking, and Early Stopping. To bridge this gap, we introduce Graph of States (GoS), a general-purpose neuro-symbolic framework tailored for abductive tasks. GoS grounds multi-agent collaboration in a structured belief states, utilizing a causal graph to explicitly encode logical dependencies and a state machine to govern the valid transitions of the reasoning process. By dynamically aligning the reasoning focus with these symbolic constraints, our approach transforms aimless, unconstrained exploration into a convergent, directed search. Extensive evaluations on two real-world datasets demonstrate that GoS significantly outperforms all baselines, providing a robust solution for complex abductive tasks. Code repo and all prompts: https://anonymous.4open.science/r/Graph-of-States-5B4E.

Jiawen Wen, Penglei Sun, Wenjie Zhang et al.

As embodied AI transitions to real-world deployment, the success of the Vision-and-Language Navigation (VLN) task tends to evolve from mere reachability to social compliance. However, current agents suffer from a "goal-driven trap", prioritizing physical geometry ("can I go?") over semantic rules ("may I go?"), frequently overlooking subtle regulatory constraints. To bridge this gap, we establish Rule-VLN, the first large-scale urban benchmark for rule-compliant navigation. Spanning a massive 29k-node environment, it injects 177 diverse regulatory categories into 8k constrained nodes across four curriculum levels, challenging agents with fine-grained visual and behavioral constraints. We further propose the Semantic Navigation Rectification Module (SNRM), a universal, zero-shot module designed to equip pre-trained agents with safety awareness. SNRM integrates a coarse-to-fine visual perception VLM framework with an epistemic mental map for dynamic detour planning. Experiments demonstrate that while Rule-VLN challenges state-of-the-art models, SNRM significantly restores navigation capabilities, reducing CVR by 19.26% and boosting TC by 5.97%.

Xingyu Tan, Xiaoyang Wang, Qing Liu et al.

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 HydraRAG, a training-free framework that unifies graph topology, document semantics, and source reliability to support deep, faithful reasoning in LLMs. HydraRAG 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, HydraRAG 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, HydraRAG fuses heterogeneous sources, guides efficient exploration, and prunes noise early. Comprehensive experiments on seven benchmark datasets show that HydraRAG achieves overall state-of-the-art results on all benchmarks with GPT-3.5-Turbo, outperforming the strong hybrid baseline ToG-2 by an average of 20.3% and up to 30.1%. Furthermore, HydraRAG enables smaller models (e.g., Llama-3.1-8B) to achieve reasoning performance comparable to that of GPT-4-Turbo. The source code is available on https://stevetantan.github.io/HydraRAG/.

Tong Xie, Hanzhi Zhang, Shaozhou Wang et al.

Natural Language Processing (NLP) is widely used to supply summarization ability from long context to structured information. However, extracting structured knowledge from scientific text by NLP models remains a challenge because of its domain-specific nature to complex data preprocessing and the granularity of multi-layered device-level information. To address this, we introduce ByteScience, a non-profit cloud-based auto fine-tuned Large Language Model (LLM) platform, which is designed to extract structured scientific data and synthesize new scientific knowledge from vast scientific corpora. The platform capitalizes on DARWIN, an open-source, fine-tuned LLM dedicated to natural science. The platform was built on Amazon Web Services (AWS) and provides an automated, user-friendly workflow for custom model development and data extraction. The platform achieves remarkable accuracy with only a small amount of well-annotated articles. This innovative tool streamlines the transition from the science literature to structured knowledge and data and benefits the advancements in natural informatics.

Wenjie Zhang, Yun Lin, Chun Fung Amos Kwok et al.

Detecting the anomalies of web applications, important infrastructures for running modern companies and governments, is crucial for providing reliable web services. Many modern web applications operate on web APIs (e.g., RESTful, SOAP, and WebSockets), their exposure invites intended attacks or unintended illegal visits, causing abnormal system behaviors. However, such anomalies can share very similar logs with normal logs, missing crucial information (which could be in database) for log discrimination. Further, log instances can be also noisy, which can further mislead the state-of-the-art log learning solutions to learn spurious correlation, resulting superficial models and rules for anomaly detection. In this work, we propose MINES which infers explainable API invariants for anomaly detection from the schema level instead of detailed raw log instances, which can (1) significantly discriminate noise in logs to identify precise normalities and (2) detect abnormal behaviors beyond the instrumented logs. Technically, MINES (1) converts API signatures into table schema to enhance the original database shema; and (2) infers the potential database constraints on the enhanced database schema to capture the potential relationships between APIs and database tables. MINES uses LLM for extracting potential relationship based on two given table structures; and use normal log instances to reject and accept LLM-generated invariants. Finally, MINES translates the inferred constraints into invariants to generate Python code for verifying the runtime logs. We extensively evaluate MINES on web-tamper attacks on the benchmarks of TrainTicket, NiceFish, Gitea, Mastodon, and NextCloud against baselines such as LogRobust, LogFormer, and WebNorm. The results show that MINES achieves high recall for the anomalies while introducing almost zero false positives, indicating a new state-of-the-art.

Xiaomin Yu, Pengxiang Ding, Wenjie Zhang et al.

Training vision-language models (VLMs) typically requires large-scale, high-quality image-text pairs, but collecting or synthesizing such data is costly. In contrast, text data is abundant and inexpensive, prompting the question: can high-quality multimodal training data be synthesized purely from text? To tackle this, we propose a cross-integrated three-stage multimodal data synthesis framework, which generates two datasets: Unicorn-1.2M and Unicorn-471K-Instruction. In Stage 1: Diverse Caption Data Synthesis, we construct 1.2M semantically diverse high-quality captions by expanding sparse caption seeds using large language models (LLMs). In Stage 2: Instruction-Tuning Data Generation, we further process 471K captions into multi-turn instruction-tuning tasks to support complex reasoning. Finally, in Stage 3: Modality Representation Transfer, these textual captions representations are transformed into visual representations, resulting in diverse synthetic image representations. This three-stage process enables us to construct Unicorn-1.2M for pretraining and Unicorn-471K-Instruction for instruction-tuning, without relying on real images. By eliminating the dependency on real images while maintaining data quality and diversity, our framework offers a cost-effective and scalable solution for VLMs training. Code is available at https://github.com/Yu-xm/Unicorn.git.

Qing Sima, Xiaoyang Wang, Wenjie Zhang

Community search aims to identify a refined set of nodes that are most relevant to a given query, supporting tasks ranging from fraud detection to recommendation. Unlike homophilic graphs, many real-world networks are heterophilic, where edges predominantly connect dissimilar nodes. Therefore, structural signals that once reflected smooth, low-frequency similarity now appear as sharp, high-frequency contrasts. However, both classical algorithms (e.g., k-core, k-truss) and recent ML-based models struggle to achieve effective community search on heterophilic graphs, where edge signs or semantics are generally unknown. Algorithm-based methods often return communities with mixed class labels, while GNNs, built on homophily, smooth away meaningful signals and blur community boundaries. Therefore, we propose Adaptive Community Search (AdaptCS), a lightweight framework featuring three key designs: (i) an AdaptCS Encoder that disentangles multi-hop and multi-frequency signals, enabling the model to capture both smooth (homophilic) and contrastive (heterophilic) relations; (ii) a memory-efficient low-rank optimization that removes the main computational bottleneck and ensures model scalability; and (iii) an Adaptive Community Score (ACS) that guides online search by balancing embedding similarity and topological relations. Extensive experiments on both heterophilic and homophilic benchmarks demonstrate that AdaptCS outperforms the best-performing baseline by an average of 11% in F1-score, retains robustness across heterophily levels, and achieves up to 2 orders of magnitude speedup over the strongest ML-based CS baselines.

Fan Li, Xiaoyang Wang, Chen Chen et al.

The increasing prevalence of large-scale hypergraphs poses significant computational challenges for hypergraph neural network (HNN) training. To address this, hypergraph condensation (HGC) distills large real hypergraphs into compact yet informative synthetic ones, beyond graph condensation (GC) methods limited to pairwise relations. However, existing HGC methods rely on decoupled training architectures, where structure generators are pre-trained on the original hypergraph but not jointly optimized with condensed features during refinement, resulting in misaligned structures that degrade downstream utility. Moreover, trajectory-based optimization incurs substantial computational overhead in refinement, limiting condensation efficiency. To tackle these issues, we propose \textbf{A}nchor-guided \textbf{H}yper\textbf{G}raph \textbf{C}ondensation with \textbf{D}ual-level \textbf{D}iscrimination (\textbf{AHGCDD}), which consists of three key components: (1) a node initialization module based on Heat Kernel PageRank (HKPR) to encode structural knowledge into feature semantics; (2) an anchor-guided hyperedge synthesis strategy for joint optimization of condensed features and structure; (3) a theoretically grounded dual-level discrimination objective for utility-preserving condensation without redundant HNN training. Extensive experiments demonstrate the superior effectiveness and efficiency of AHGCDD.

Xingyu Tan, Xiaoyang Wang, Qing Liu et al.

Knowledge graphs (KGs) provide structured evidence that can ground large language model (LLM) reasoning for knowledge-intensive question answering. However, many practical KGs are private, and sending retrieved triples or exploration traces to closed-source LLM APIs introduces leakage risk. Existing privacy treatments focus on masking entity names, but they still face four limitations: structural leakage under semantic masking, uncontrollable remote interaction, fragile multi-hop and multi-entity reasoning, and limited experience reuse for stability and efficiency. To address these issues, we propose PrivGemo, a privacy-preserving retrieval-augmented framework for KG-grounded reasoning with memory-guided exposure control. PrivGemo uses a dual-tower design to keep raw KG knowledge local while enabling remote reasoning over an anonymized view that goes beyond name masking to limit both semantic and structural exposure. PrivGemo supports multi-hop, multi-entity reasoning by retrieving anonymized long-hop paths that connect all topic entities, while keeping grounding and verification on the local KG. A hierarchical controller and a privacy-aware experience memory further reduce unnecessary exploration and remote interactions. Comprehensive experiments on six benchmarks show that PrivGemo achieves overall state-of-the-art results, outperforming the strongest baseline by up to 17.1%. Furthermore, PrivGemo enables smaller models (e.g., Qwen3-4B) to achieve reasoning performance comparable to that of GPT-4-Turbo.

Haoran Yang, Yinan Zhang, Wenjie Zhang et al.

Nowadays, industrial hybrid modeling which integrates both mechanistic modeling and machine learning-based modeling techniques has attracted increasing interest from scholars due to its high accuracy, low computational cost, and satisfactory interpretability. Nevertheless, the existing industrial hybrid modeling methods still face two main limitations. First, current research has mainly focused on applying a single machine learning method to one specific task, failing to develop a comprehensive machine learning architecture suitable for modeling tasks, which limits their ability to effectively represent complex industrial scenarios. Second, industrial datasets often contain underlying associations (e.g., monotonicity or periodicity) that are not adequately exploited by current research, which can degrade model's predictive performance. To address these limitations, this paper proposes the Recurrent Perceptron-based Channel Attention Transformer Encoder (RP-CATE), with three distinctive characteristics: 1: We developed a novel architecture by replacing the self-attention mechanism with channel attention and incorporating our proposed Recurrent Perceptron (RP) Module into Transformer, achieving enhanced effectiveness for industrial modeling tasks compared to the original Transformer. 2: We proposed a new data type called Pseudo-Image Data (PID) tailored for channel attention requirements and developed a cyclic sliding window method for generating PID. 3: We introduced the concept of Pseudo-Sequential Data (PSD) and a method for converting industrial datasets into PSD, which enables the RP Module to capture the underlying associations within industrial dataset more effectively. An experiment aimed at hybrid modeling in chemical engineering was conducted by using RP-CATE and the experimental results demonstrate that RP-CATE achieves the best performance compared to other baseline models.

Fan Li, Xiaoyang Wang, Wenjie Zhang et al.

Deep graph models have achieved great success in network representation learning. However, their focus on pairwise relationships restricts their ability to learn pervasive higher-order interactions in real-world systems, which can be naturally modeled as hypergraphs. To tackle this issue, Hypergraph Neural Networks (HNNs) have garnered substantial attention in recent years. Despite the proposal of numerous HNNs, the absence of consistent experimental protocols and multi-dimensional empirical analysis impedes deeper understanding and further development of HNN research. While several toolkits for deep hypergraph learning (DHGL) have been introduced to facilitate algorithm evaluation, they provide only limited quantitative evaluation results and insufficient coverage of advanced algorithms, datasets, and benchmark tasks. To fill the gap, we introduce DHG-Bench, the first comprehensive benchmark for HNNs. Specifically, DHG-Bench systematically investigates the characteristics of HNNs in terms of four dimensions: effectiveness, efficiency, robustness, and fairness. We comprehensively evaluate 17 state-of-the-art HNN algorithms on 22 diverse datasets spanning node-, edge-, and graph-level tasks, under unified experimental settings. Extensive experiments reveal both the strengths and limitations of existing algorithms, offering valuable insights and directions for future research. Furthermore, to facilitate reproducible research, we have developed an easy-to-use library for training and evaluating different HNN methods. The DHG-Bench library is available at: https://github.com/Coco-Hut/DHG-Bench.

Lingkai Meng, Yu Shao, Long Yuan et al.

Usability evaluation is critical to the impact and adoption of open source software (OSS), yet traditional methods relying on human evaluators suffer from high costs and limited scalability. To address these limitations, we introduce OSS-UAgent, an automated, configurable, and interactive agent-based usability evaluation framework specifically designed for open source software. Our framework employs intelligent agents powered by large language models (LLMs) to simulate developers performing programming tasks across various experience levels (from Junior to Expert). By dynamically constructing platform-specific knowledge bases, OSS-UAgent ensures accurate and context-aware code generation. The generated code is automatically evaluated across multiple dimensions, including compliance, correctness, and readability, providing a comprehensive measure of the software's usability. Additionally, our demonstration showcases OSS-UAgent's practical application in evaluating graph analytics platforms, highlighting its effectiveness in automating usability evaluation.

Lincan Li, Hanchen Wang, Wenjie Zhang et al.

Spatial-Temporal Graph (STG) data is characterized as dynamic, heterogenous, and non-stationary, leading to the continuous challenge of spatial-temporal graph learning. In the past few years, various GNN-based methods have been proposed to solely focus on mimicking the relationships among node individuals of the STG network, ignoring the significance of modeling the intrinsic features that exist in STG system over time. In contrast, modern Selective State Space Models (SSSMs) present a new approach which treat STG Network as a system, and meticulously explore the STG system's dynamic state evolution across temporal dimension. In this work, we introduce Spatial-Temporal Graph Mamba (STG-Mamba) as the first exploration of leveraging the powerful selective state space models for STG learning by treating STG Network as a system, and employing the Spatial-Temporal Selective State Space Module (ST-S3M) to precisely focus on the selected STG latent features. Furthermore, to strengthen GNN's ability of modeling STG data under the setting of selective state space models, we propose Kalman Filtering Graph Neural Networks (KFGN) for dynamically integrate and upgrade the STG embeddings from different temporal granularities through a learnable Kalman Filtering statistical theory-based approach. Extensive empirical studies are conducted on three benchmark STG forecasting datasets, demonstrating the performance superiority and computational efficiency of STG-Mamba. It not only surpasses existing state-of-the-art methods in terms of STG forecasting performance, but also effectively alleviate the computational bottleneck of large-scale graph networks in reducing the computational cost of FLOPs and test inference time. The implementation code is available at: \url{https://github.com/LincanLi98/STG-Mamba}.

Boyang Cai, Qiwei Liang, Jiawei Li et al.

Does multi-view demonstration truly improve robot manipulation, or merely enhance cross-view robustness? We present a systematic study quantifying the performance gains, scaling behavior, and underlying mechanisms of multi-view data for robot manipulation. Controlled experiments show that, under both fixed and randomized backgrounds, multi-view demonstrations consistently improve single-view policy success and generalization. Performance varies non-monotonically with view coverage, revealing effective regimes rather than a simple "more is better" trend. Notably, multi-view data breaks the scaling limitation of single-view datasets and continues to raise performance ceilings after saturation. Mechanistic analysis shows that multi-view learning promotes manipulation-relevant visual representations, better aligns the action head with the learned feature distribution, and reduces overfitting. Motivated by the importance of multi-view data and its scarcity in large-scale robotic datasets, as well as the difficulty of collecting additional viewpoints in real world settings, we propose RoboNVS, a geometry-aware self-supervised framework that synthesizes novel-view videos from monocular inputs. The generated data consistently improves downstream policies in both simulation and real-world environments.

Zixu Zhao, Sijin Wang, Yu Hou et al.

Tourism is a high-stakes setting for conversational recommender systems (CRS): a plausible-sounding suggestion can waste real money and trip time once a traveler acts on it. Existing CRS benchmarks primarily evaluate systems with a single Recall@k score over entity mentions, and tourism-specific resources add spatial or knowledge-graph context, yet none of them couple multi-turn recommendation with verbatim review-span evidence and rejection recovery. This leaves an evaluation gap for tourism recommendation that is simultaneously trustworthy, verifiable, and adaptive: recommend the right point of interest (POI) for multi-aspect preferences (such as cuisine, price, atmosphere, walking distance), justify each suggestion with verifiable evidence from prior visitors so the traveler can act without trial and error, and recover when the first recommendation is rejected mid-dialogue. We introduce TRACE, where each item is a multi-turn tourism recommendation dialogue with review-span citations and explicit rejection turns: 10,000 dialogues over 2,400 Yelp POIs and 34,208 reviews across eight U.S. cities, paired with 14 retrieval, planning, and LLM baselines, along with 25 metrics organized under Accuracy, Grounding, and Recovery. Across these baselines, TRACE reveals the Three-Competency Gap: LLM Zero-Shot leads in closed-set Recall@1 and rejection recovery but cites less densely than retrievers; non-LLM retrievers achieve surface-verbatim grounding but with low accuracy; Multi-Review Synthesis fails at recovery. The Grounding Score agrees with human citation precision (Spearman rho=+0.80, p<10^-20), and paired t-tests reproduce the per-baseline ranking (p<0.01 on the dominant contrasts). TRACE reframes accountable tourism recommendation as a joint target (right POI, verifiable evidence, adaptive repair) rather than a single-axis leaderboard.

Pengxiang Ding, Han Zhao, Wenjie Zhang et al.

The important manifestation of robot intelligence is the ability to naturally interact and autonomously make decisions. Traditional approaches to robot control often compartmentalize perception, planning, and decision-making, simplifying system design but limiting the synergy between different information streams. This compartmentalization poses challenges in achieving seamless autonomous reasoning, decision-making, and action execution. To address these limitations, a novel paradigm, named Vision-Language-Action tasks for QUAdruped Robots (QUAR-VLA), has been introduced in this paper. This approach tightly integrates visual information and instructions to generate executable actions, effectively merging perception, planning, and decision-making. The central idea is to elevate the overall intelligence of the robot. Within this framework, a notable challenge lies in aligning fine-grained instructions with visual perception information. This emphasizes the complexity involved in ensuring that the robot accurately interprets and acts upon detailed instructions in harmony with its visual observations. Consequently, we propose QUAdruped Robotic Transformer (QUART), a family of VLA models to integrate visual information and instructions from diverse modalities as input and generates executable actions for real-world robots and present QUAdruped Robot Dataset (QUARD), a large-scale multi-task dataset including navigation, complex terrain locomotion, and whole-body manipulation tasks for training QUART models. Our extensive evaluation (4000 evaluation trials) shows that our approach leads to performant robotic policies and enables QUART to obtain a range of emergent capabilities.

Rongjie Jiang, Jianwei Wang, Gengda Zhao et al.

Recent advances in large language models have driven the emergence of intelligent agents operating in open-world, multimodal environments. To support long-term reasoning, such agents are typically equipped with external memory systems. However, most existing multimodal agent memories rely primarily on neural representations and vector-based retrieval, which are well-suited for inductive, intuitive reasoning but fundamentally limited in supporting analytical, deductive reasoning critical for real-world decision making. To address this limitation, we propose NS-Mem, a long-term neuro-symbolic memory framework designed to advance multimodal agent reasoning by integrating neural memory with explicit symbolic structures and rules. Specifically, NS-Mem is operated around three core components of a memory system: (1) a three-layer memory architecture that consists episodic layer, semantic layer and logic rule layer, (2) a memory construction and maintenance mechanism implemented by SK-Gen that automatically consolidates structured knowledge from accumulated multimodal experiences and incrementally updates both neural representations and symbolic rules, and (3) a hybrid memory retrieval mechanism that combines similarity-based search with deterministic symbolic query functions to support structured reasoning. Experiments on real-world multimodal reasoning benchmarks demonstrate that Neural-Symbolic Memory achieves an average 4.35% improvement in overall reasoning accuracy over pure neural memory systems, with gains of up to 12.5% on constrained reasoning queries, validating the effectiveness of NS-Mem.

Mo Zhou, Jianwei Wang, Kai Wang et al.

Multimodal Entity Linking (MEL) is a fundamental task in data management that maps ambiguous mentions with diverse modalities to the multimodal entities in a knowledge base. However, most existing MEL approaches primarily focus on optimizing instance-centric features and evidence, leaving broader forms of evidence and their intricate interdependencies insufficiently explored. Motivated by the observation that human expert decision-making process relies on multi-perspective judgment, in this work, we propose MSR-MEL, a Multi-perspective Evidence Synthesis and Reasoning framework with Large Language Models (LLMs) for unsupervised MEL. Specifically, we adopt a two-stage framework: (1) Offline Multi-Perspective Evidence Synthesis constructs a comprehensive set of evidence. This includes instance-centric evidence capturing the instance-centric multimodal information of mentions and entities, group-level evidence that aggregates neighborhood information, lexical evidence based on string overlap ratio, and statistical evidence based on simple summary statistics. A core contribution of our framework is the synthesis of group-level evidence, which effectively aggregates vital neighborhood information by graph. We first construct LLM-enhanced contextualized graphs. Subsequently, different modalities are jointly aligned through an asymmetric teacher-student graph neural network. (2) Online Multi-Perspective Evidence Reasoning leverages the power of LLM as a reasoning module to analyze the correlation and semantics of the multi-perspective evidence to induce an effective ranking strategy for accurate entity linking without supervision. Extensive experiments on widely used MEL benchmarks demonstrate that MSR-MEL consistently outperforms state-of-the-art unsupervised methods. The source code of this paper was available at: https://anonymous.4open.science/r/MSR-MEL-C21E/.

Xingyu Tan, Xiaoyang Wang, Qing Liu et al.

Large Language Models (LLMs) have achieved impressive results in various tasks but struggle with hallucination problems and lack of relevant knowledge, especially in deep complex reasoning and knowledge-intensive tasks. Knowledge Graphs (KGs), which capture vast amounts of facts in a structured format, offer a reliable source of knowledge for reasoning. However, existing KG-based LLM reasoning methods face challenges like handling multi-hop reasoning, multi-entity questions, and effectively utilizing graph structures. To address these issues, we propose Paths-over-Graph (PoG), a novel method that enhances LLM reasoning by integrating knowledge reasoning paths from KGs, improving the interpretability and faithfulness of LLM outputs. PoG tackles multi-hop and multi-entity questions through a three-phase dynamic multi-hop path exploration, which combines the inherent knowledge of LLMs with factual knowledge from KGs. In order to improve the efficiency, PoG prunes irrelevant information from the graph exploration first and introduces efficient three-step pruning techniques that incorporate graph structures, LLM prompting, and a pre-trained language model (e.g., SBERT) to effectively narrow down the explored candidate paths. This ensures all reasoning paths contain highly relevant information captured from KGs, making the reasoning faithful and interpretable in problem-solving. PoG innovatively utilizes graph structure to prune the irrelevant noise and represents the first method to implement multi-entity deep path detection on KGs for LLM reasoning tasks. Comprehensive experiments on five benchmark KGQA datasets demonstrate PoG outperforms the state-of-the-art method ToG across GPT-3.5-Turbo and GPT-4, achieving an average accuracy improvement of 18.9%. Notably, PoG with GPT-3.5-Turbo surpasses ToG with GPT-4 by up to 23.9%.

Yuxiao Huang, Wenjie Zhang, Liang Feng et al.

Recently, large language models (LLMs) have notably positioned them as capable tools for addressing complex optimization challenges. Despite this recognition, a predominant limitation of existing LLM-based optimization methods is their struggle to capture the relationships among decision variables when relying exclusively on numerical text prompts, especially in high-dimensional problems. Keeping this in mind, we first propose to enhance the optimization performance using multimodal LLM capable of processing both textual and visual prompts for deeper insights of the processed optimization problem. This integration allows for a more comprehensive understanding of optimization problems, akin to human cognitive processes. We have developed a multimodal LLM-based optimization framework that simulates human problem-solving workflows, thereby offering a more nuanced and effective analysis. The efficacy of this method is evaluated through extensive empirical studies focused on a well-known combinatorial optimization problem, i.e., capacitated vehicle routing problem. The results are compared against those obtained from the LLM-based optimization algorithms that rely solely on textual prompts, demonstrating the significant advantages of our multimodal approach.

Yuwei Wan, Yixuan Liu, Aswathy Ajith et al.

We introduce SciQAG, a novel framework for automatically generating high-quality science question-answer pairs from a large corpus of scientific literature based on large language models (LLMs). SciQAG consists of a QA generator and a QA evaluator, which work together to extract diverse and research-level questions and answers from scientific papers. Utilizing this framework, we construct a large-scale, high-quality, open-ended science QA dataset containing 188,042 QA pairs extracted from 22,743 scientific papers across 24 scientific domains. We also introduce SciQAG-24D, a new benchmark task designed to evaluate the science question-answering ability of LLMs. Extensive experiments demonstrate that fine-tuning LLMs on the SciQAG dataset significantly improves their performance on both open-ended question answering and scientific tasks. To foster research and collaboration, we make the datasets, models, and evaluation codes publicly available, contributing to the advancement of science question answering and developing more interpretable and reasoning-capable AI systems.

Yanpeng Ye, Jie Ren, Shaozhou Wang et al.

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges to the efficient discovery and integration of new materials. Traditional methods, often reliant on costly and time-consuming experimental approaches, further complicate rapid innovation. Addressing these challenges, the integration of artificial intelligence with materials science has opened avenues for accelerating the discovery process, though it also demands precise annotation, data extraction, and traceability of information. To tackle these issues, this article introduces the Materials Knowledge Graph (MKG), which utilizes advanced natural language processing techniques integrated with large language models to extract and systematically organize a decade's worth of high-quality research into structured triples, contains 162,605 nodes and 731,772 edges. MKG categorizes information into comprehensive labels such as Name, Formula, and Application, structured around a meticulously designed ontology, thus enhancing data usability and integration. By implementing network-based algorithms, MKG not only facilitates efficient link prediction but also significantly reduces reliance on traditional experimental methods. This structured approach not only streamlines materials research but also lays the groundwork for more sophisticated science knowledge graphs.

Chengpei Xu, Hao Fu, Long Ma et al.

Localizing text in low-light environments is challenging due to visual degradations. Although a straightforward solution involves a two-stage pipeline with low-light image enhancement (LLE) as the initial step followed by detector, LLE is primarily designed for human vision instead of machine and can accumulate errors. In this work, we propose an efficient and effective single-stage approach for localizing text in dark that circumvents the need for LLE. We introduce a constrained learning module as an auxiliary mechanism during the training stage of the text detector. This module is designed to guide the text detector in preserving textual spatial features amidst feature map resizing, thus minimizing the loss of spatial information in texts under low-light visual degradations. Specifically, we incorporate spatial reconstruction and spatial semantic constraints within this module to ensure the text detector acquires essential positional and contextual range knowledge. Our approach enhances the original text detector's ability to identify text's local topological features using a dynamic snake feature pyramid network and adopts a bottom-up contour shaping strategy with a novel rectangular accumulation technique for accurate delineation of streamlined text features. In addition, we present a comprehensive low-light dataset for arbitrary-shaped text, encompassing diverse scenes and languages. Notably, our method achieves state-of-the-art results on this low-light dataset and exhibits comparable performance on standard normal light datasets. The code and dataset will be released.

Xinyang Tong, Pengxiang Ding, Yiguo Fan et al.

This paper addresses the inherent inference latency challenges associated with deploying multimodal large language models (MLLM) in quadruped vision-language-action (QUAR-VLA) tasks. Our investigation reveals that conventional parameter reduction techniques ultimately impair the performance of the language foundation model during the action instruction tuning phase, making them unsuitable for this purpose. We introduce a novel latency-free quadruped MLLM model, dubbed QUART-Online, designed to enhance inference efficiency without degrading the performance of the language foundation model. By incorporating Action Chunk Discretization (ACD), we compress the original action representation space, mapping continuous action values onto a smaller set of discrete representative vectors while preserving critical information. Subsequently, we fine-tune the MLLM to integrate vision, language, and compressed actions into a unified semantic space. Experimental results demonstrate that QUART-Online operates in tandem with the existing MLLM system, achieving real-time inference in sync with the underlying controller frequency, significantly boosting the success rate across various tasks by 65%. Our project page is https://quart-online.github.io.

Fan Li, Xiaoyang Wang, Dawei Cheng et al.

Self-supervised learning (SSL) provides a promising alternative for representation learning on hypergraphs without costly labels. However, existing hypergraph SSL models are mostly based on contrastive methods with the instance-level discrimination strategy, suffering from two significant limitations: (1) They select negative samples arbitrarily, which is unreliable in deciding similar and dissimilar pairs, causing training bias. (2) They often require a large number of negative samples, resulting in expensive computational costs. To address the above issues, we propose SE-HSSL, a hypergraph SSL framework with three sampling-efficient self-supervised signals. Specifically, we introduce two sampling-free objectives leveraging the canonical correlation analysis as the node-level and group-level self-supervised signals. Additionally, we develop a novel hierarchical membership-level contrast objective motivated by the cascading overlap relationship in hypergraphs, which can further reduce membership sampling bias and improve the efficiency of sample utilization. Through comprehensive experiments on 7 real-world hypergraphs, we demonstrate the superiority of our approach over the state-of-the-art method in terms of both effectiveness and efficiency.

Jianwei Wang, Kai Wang, Ying Zhang et al.

Missing data imputation, which aims to impute the missing values in the raw datasets to achieve the completeness of datasets, is crucial for modern data-driven models like large language models (LLMs) and has attracted increasing interest over the past decades. Despite its importance, existing solutions for missing data imputation either 1) only support numerical and categorical data or 2) show an unsatisfactory performance due to their design prioritizing text data and the lack of key properties for tabular data imputation. In this paper, we propose UnIMP, a Unified IMPutation framework that leverages LLM and high-order message passing to enhance the imputation of mixed-type data including numerical, categorical, and text data. Specifically, we first introduce a cell-oriented hypergraph to model the table. We then propose BiHMP, an efficient Bidirectional High-order Message-Passing network to aggregate global-local information and high-order relationships on the constructed hypergraph while capturing the inter-column heterogeneity and intra-column homogeneity. To effectively and efficiently align the capacity of the LLM with the information aggregated by BiHMP, we introduce Xfusion, which, together with BiHMP, acts as adapters for the LLM. We follow a pre-training and fine-tuning pipeline to train UnIMP, integrating two optimizations: chunking technique, which divides tables into smaller chunks to enhance efficiency; and progressive masking technique, which gradually adapts the model to learn more complex data patterns. Both theoretical proofs and empirical experiments on 10 real world datasets highlight the superiority of UnIMP over existing techniques.

Yuanyuan Xu, Wenjie Zhang, Xuemin Lin et al.

Dynamic graphs are formulated in continuous-time or discrete-time dynamic graphs. They differ in temporal granularity: Continuous-Time Dynamic Graphs (CTDGs) exhibit rapid, localized changes, while Discrete-Time Dynamic Graphs (DTDGs) show gradual, global updates. This difference leads to isolated developments in representation learning for each type. To advance representation learning, recent research attempts to design a unified model capable of handling both CTDGs and DTDGs. However, it typically focuses on local dynamic propagation for temporal structure learning in the time domain, failing to accurately capture the structural evolution associated with each temporal granularity. In addition, existing works-whether specific or unified-often overlook the issue of temporal noise, compromising the model robustness and effectiveness. To better model both types of dynamic graphs, we propose UniDyG, a unified and effective representation learning approach, which scales to large dynamic graphs. We first propose a novel Fourier Graph Attention (FGAT) mechanism that can model local and global structural correlations based on recent neighbors and complex-number selective aggregation, while theoretically ensuring consistent representations of dynamic graphs over time. Based on approximation theory, we demonstrate that FGAT is well-suited to capture the underlying structures in CTDGs and DTDGs. We further enhance FGAT to resist temporal noise by designing an energy-gated unit, which adaptively filters out high-frequency noise according to the energy. Last, we leverage our FGAT mechanisms for temporal structure learning and employ the frequency-enhanced linear function for node-level dynamic updates, facilitating the generation of high-quality temporal embeddings. Extensive experiments show that our UniDyG achieves an average improvement of 14.4% over sixteen baselines across nine dynamic graphs.

Yuwei Wan, Tong Xie, Nan Wu et al.

Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By evaluating various contextual embedding methods and pre-trained models, including Bidirectional Encoder Representations from Transformers (BERT) and Generative Pre-trained Transformers (GPT), we demonstrate that domain-specific models, particularly MatBERT significantly outperform general-purpose models in extracting implicit knowledge from compound names and material properties. Our findings reveal that information-dense embeddings from the third layer of MatBERT, combined with a context-averaging approach, offer the most effective method for capturing material-property relationships from the scientific literature. We also identify a crucial "tokenizer effect," highlighting the importance of specialized text processing techniques that preserve complete compound names while maintaining consistent token counts. These insights underscore the value of domain-specific training and tokenization in materials science applications and offer a promising pathway for accelerating the discovery and development of new materials through AI-driven approaches.

Guangxin Su, Yifan Zhu, Wenjie Zhang et al.

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node features with large language models (LLMs) and on graph structures with graph structure learning models (GSLMs). In this paper, we introduce LangGSL, a robust framework that integrates the complementary strengths of pre-trained language models and GSLMs to jointly enhance both node feature and graph structure learning. In LangGSL, we first leverage LLMs to filter noise in the raw data and extract valuable cleaned information as features, enhancing the synergy of downstream models. During the mutual learning phase in LangGSL, the core idea is to leverage the relatively small language model (LM) to process local attributes and generate reliable pseudo-labels and informative node embeddings, which are then integrated into the GSLM's prediction phase. This approach enriches the global context and enhances overall performance. Meanwhile, GSLM refines the evolving graph structure constructed from the LM's output, offering updated labels back to the LM as additional guidance, thus facilitating a more effective mutual learning process. The LM and GSLM work synergistically, complementing each other's strengths and offsetting weaknesses within a variational information-maximizing framework, resulting in enhanced node features and a more robust graph structure. Extensive experiments on diverse graph datasets of varying scales and across different task scenarios demonstrate the scalability and effectiveness of the proposed approach.