arXiv subjects

Tianxiang Zhao

Publications and source records attributed to Tianxiang Zhao.

At least 19 recordsLinked to original sources

arXiv2026

Unified Multi-Dimensional Benchmark for Complex Graph Reasoning in Large Language Models

Graph reasoning provides a promising testbed for evaluating the reasoning ability of large language models (LLMs), as graph instances can be programmatically generated, structurally controlled, and naturally scaled to long-input settings. However, existing graph reasoning benchmarks have limited coverage of data complexity, rely heavily on manual construction, and lack unified evaluation across text-based and code-based reasoning modes. To address these limitations, we propose {\dataset}, a five-stage \textit{semi-automatic} framework for constructing complex graph reasoning benchmarks. It expands benchmark coverage along five dimensions: \textit{Graph Size}, \textit{Task Complexity}, \textit{Task Description}, \textit{Graph Loading}, and \textit{Task Source}. The framework uses an LLM-based data generator to automatically produce task descriptions, graph data, reference solutions, graph-loading scripts, question forms, and evaluation scripts, while retaining human validation at key quality-control stages. Based on it, we construct a benchmark with $202$ tasks and evaluate LLMs under text-based, code-based, and augmented reasoning settings. Experiments show that the complexity dimensions reveal model limitations that are less visible in existing benchmarks; existing fine-tuned models struggle to generalize to GraphGym, whereas retrieval-augmented methods show scenario-dependent adaptability, improving textual reasoning but not consistently improving coding reasoning. These findings suggest that ours serves as a challenging and diagnostic benchmark for graph reasoning and provides empirical guidance for future enhancement methods. Code and dataset will be published soon.

cs.CL↗

arXiv2026

BrainPilot: Automating Brain Discovery with Agentic Research

Understanding the brain increasingly depends on integrating evidence across scales, modalities, and disciplines. Addressing a single research question therefore requires a coordinated sequence of operations, from surveying prior work to executing analyses and interpreting results in light of domain knowledge. AI agents promise to accelerate this process, but current agents lack domain expertise in brain science, may fabricate claims, drift during multi-step reasoning, and offer few defined points for expert intervention. These failures are especially costly in brain science, where conclusions feed into downstream scientific claims and depend on laboratory-specific expertise and careful human judgment. We present \textbf{BrainPilot} a \textbf{fully open-source} multi-agent system that accelerates brain science research with traceable logs and agent-verified results. A principal investigator (PI) agent coordinates specialist agents grounded in curated domain knowledge: a unified brain science knowledge base containing 7{,}233 indexed items and a skill library of 72 reusable methodology units across seven research domains. Every major step is recorded in the Graph of Trace, an auditable record that links subgoals, tool use, evidence, and claims and allows researchers to follow and inspect the workflow. An Auditor agent further integrates fabrication checking into the workflow. For evaluation, we run three brain science tasks from Agents' Last Exam, introduce our own benchmark, \textbf{BrainPilotBench-v0}, and present additional end-to-end case studies. Across these evaluations, BrainPilot with an open-source backbone model attains performance comparable to state-of-the-art agent framework with less costs.

cs.AI↗

arXiv2026

Skin-R1: Clinical Knowledge-Guided Dermatological Diagnosis Using Vision-Language Models

Vision--language models (VLMs) have recently shown promise for assisting clinical reasoning in dermatological diagnosis. However, their trustworthiness and clinical utility remain limited by three key challenges: heterogeneous datasets with inconsistent diagnostic labels and concept annotations, the lack of grounded diagnostic rationales for reliable reasoning supervision, and limited scalability when transferring knowledge from small, densely annotated datasets to large collections with sparse labels. To address these challenges, we propose Skin-R1, a dermatology-oriented VLM that integrates textbook-grounded clinical reasoning supervision with reinforcement learning (RL) to improve the accuracy and robustness of diagnostic prediction. First, we construct a textbook-based reasoning generator that synthesizes hierarchy-aware and differential-diagnosis (DDx) diagnostic trajectories derived from authoritative dermatology knowledge. Second, these trajectories are used for supervised fine-tuning (SFT), establishing a clinically grounded reasoning foundation for the model. Finally, we introduce an RL training framework that incorporates the hierarchical structure of dermatological diseases into the reward design, enabling the model to generalize grounded diagnostic reasoning to large-scale datasets with sparse annotations. Extensive experiments across multiple dermatology benchmarks demonstrate that Skin-R1 consistently improves diagnostic accuracy and robustness compared to state-of-the-art Med-VLM baselines. Ablation studies further highlight the critical role of grounded reasoning supervision introduced during the SFT stage.

cs.CV↗

arXiv2026

BiPACE: Bisimulation-Guided Policy Optimization with Action Counterfactual Estimation for LLM Agents

Stepwise group-based RL is an attractive way to train long-horizon LLM agents without a learned critic: it reuses multiple sampled rollouts to estimate local advantages. Its weakness is less visible but more fundamental: every group-relative estimator assumes that the steps it compares are equivalent for credit assignment. We show that current agentic variants violate this assumption through a state-action credit mismatch. The observation-hash partition is overly fine on the state side, creating singleton groups with zero step-level signal, while a single within-group mean is too coarse on the action side, mixing state-value estimation with action-specific credit. We introduce BiPACE (Bisimulation-Guided Policy Optimization with Action Counterfactual Estimation), a drop-in advantage estimator that fixes both sides without adding a critic, auxiliary loss, or extra rollouts. BiGPO clusters steps by cosine distance in the actor's own hidden-state geometry, an empirical policy-induced proxy for bisimulation that substantially lowers the singleton rate left by observation hashing. PACE then recenters returns within each behavioral cluster using action-conditioned peer baselines; its Q-style instance estimates a local Q(s,a)-V(s) nonparametrically. On ALFWorld/Qwen2.5-7B, BiPACE_Q raises overall validation success from GiGPO's 90.8 to $97.1\pm0.9$ over three seeds, and crosses the 95% threshold on every seed, which GiGPO never does within the same budget. On Qwen2.5-1.5B it reaches $93.5\pm1.2$ versus GiGPO's 86.7, and on WebShop and TextCraft it improves over GRPO and GiGPO at both model scales. The measured BiPACE-specific overhead is 11.3% of a single training-step wall time. Yet it changes the estimator's comparison unit from surface identity to approximate behavioral equivalence plus action-side counterfactuals. The code is available at https://github.com/TianxiangZhao/BiPACE.

cs.CL↗

arXiv2026

Graph of Trace: Visualizing Execution Traces of Scientific Agent

Scientific AI agents can autonomously carry out complex research workflows, yet these unfolded workflows often remain difficult for humans to inspect and review, limiting interpretable, controllable and effective human-AI collaboration. To address this challenge, we present a monitoring and visualization framework that records fine-grained execution events and organizes them into a directed graph that makes agent workflows explicit as they proceed. The system records intermediate steps (e.g. tool calls and code executions), and renders them as real-time updated visual traces that expose workflow structure. This allows users to examine how results are produced, identify where failures emerge, and better understand agent behavior across different stages of the research process. We conduct an evaluation on complex research tasks with domain experts of interdisciplinary backgrounds in AI, neuroscience, and biology. Experts report that structured traces visualization improves understanding of agent workflows, perceived interpretability, and usability for analysis and further interaction.

cs.HC↗

arXiv2026

Learning to Foresee: Unveiling the Unlocking Efficiency of On-Policy Distillation

On-policy distillation (OPD) has emerged as an efficient post-training paradigm for large language models. However, existing studies largely attribute this advantage to denser and more stable supervision, while the parameter-level mechanisms underlying OPD's efficiency remain poorly understood. In this work, we argue that OPD's efficiency stems from a form of ``foresight'': it establishes a stable update trajectory toward the final model early in training. This foresight manifests in two aspects. First, at the \textbf{Module-Allocation Level}, OPD identifies regions with low marginal utility and concentrates updates on modules that are more critical to reasoning. Second, at the \textbf{Update-Direction Level}, OPD exhibits stronger low-rank concentration, with its dominant subspaces aligning closely with the final update subspace early in training. Building on these findings, we propose \textbf{EffOPD}, a plug-and-play acceleration method that speeds up OPD by adaptively selecting an extrapolation step size and moving along the current update direction. EffOPD requires no additional trainable modules or complex hyperparameter tuning, and achieves an average training acceleration of $3\times$ while maintaining comparable final performance. Overall, our findings provide a parameter-dynamics perspective for understanding the efficiency of OPD and offer practical insights for designing more efficient post-training methods for large language models.

cs.CL↗

arXiv2026

Tailoring Quasi-Bound States in the Continuum for Infrared Photodetection in Black Phosphorus

High-performance infrared photodetection underpins various applications spanning surveillance, environmental monitoring, optical communications and biomedical imaging. However, conventional bulk detectors remain limited by poor spectral tunability, mechanical rigidity, and high dark currents, motivating the pursuit of low-dimensional material platforms such as graphene and transition metal dichalgenides. Black phosphorus (BP) is particularly compelling in this context, owing to its thickness-tunable direct bandgap, high carrier mobility, and pronounced in-plane anisotropy. Nevertheless, its atomically thin nature inherently restricts light absorption, posing a fundamental bottleneck for device performance. Here, we demonstrate quasi-bound states in the continuum (quasi-BICs) within a dielectric metasurface integrated with BP, enabling strongly enhanced and spectrally selective light-matter interactions. By introducing controlled symmetry breaking at the unit-cell level, high-quality-factor resonances are realized, resulting in pronounced electromagnetic field confinement within the BP layer. This resonant enhancement substantially increases photocarrier generation while preserving the intrinsic polarization anisotropy of BP, which elucidates a robust pathway for overcoming the optical absorption bottleneck in anisotropic 2D optoelectronics via quasi-BIC platforms.

physics.optics↗

arXiv2025

Generalizing Test-time Compute-optimal Scaling as an Optimizable Graph

Test-Time Scaling (TTS) improves large language models (LLMs) by allocating additional computation during inference, typically through parallel, sequential, or hybrid scaling. However, prior studies often assume fixed collaboration architectures (e.g., topologies) and single-model usage, overlooking that optimal architectures and model combinations can vary across tasks. Therefore, we study the novel problem of searching for compute-optimal model combinations and architectures in TTS under a fixed budget. We formalize it as a multi-LLM collaboration graph, where nodes encode roles and LLM model assignments, and edges capture information flow. This problem is challenging because (i) the combinatorial search space is prohibitively large, and (ii) task-specific requirements demand tailored designs. To address these, we reformulate the problem as probabilistic graph optimization and, through pilot experiments, derive three empirical insights into TTS collaboration graphs. Guided by these insights, we propose Agent-REINFORCE, an LLM-agent-augmented framework that mirrors the REINFORCE pipeline by mapping sampling-gradient-update to sampling-feedback-update, where feedback serves as a textual gradient to update the probabilistic graph and efficiently search for optimal multi-LLM collaboration graphs. Experiments show that Agent-REINFORCE outperforms both traditional and LLM-based baselines in sample efficiency and search performance, and effectively identifies optimal graphs under joint objectives of accuracy and inference latency.

cs.LG↗

arXiv2025

Hybrid-Collaborative Augmentation and Contrastive Sample Adaptive-Differential Awareness for Robust Attributed Graph Clustering

Due to its powerful capability of self-supervised representation learning and clustering, contrastive attributed graph clustering (CAGC) has achieved great success, which mainly depends on effective data augmentation and contrastive objective setting. However, most CAGC methods utilize edges as auxiliary information to obtain node-level embedding representation and only focus on node-level embedding augmentation. This approach overlooks edge-level embedding augmentation and the interactions between node-level and edge-level embedding augmentations across various granularity. Moreover, they often treat all contrastive sample pairs equally, neglecting the significant differences between hard and easy positive-negative sample pairs, which ultimately limits their discriminative capability. To tackle these issues, a novel robust attributed graph clustering (RAGC), incorporating hybrid-collaborative augmentation (HCA) and contrastive sample adaptive-differential awareness (CSADA), is proposed. First, node-level and edge-level embedding representations and augmentations are simultaneously executed to establish a more comprehensive similarity measurement criterion for subsequent contrastive learning. In turn, the discriminative similarity further consciously guides edge augmentation. Second, by leveraging pseudo-label information with high confidence, a CSADA strategy is elaborately designed, which adaptively identifies all contrastive sample pairs and differentially treats them by an innovative weight modulation function. The HCA and CSADA modules mutually reinforce each other in a beneficent cycle, thereby enhancing discriminability in representation learning. Comprehensive graph clustering evaluations over six benchmark datasets demonstrate the effectiveness of the proposed RAGC against several state-of-the-art CAGC methods.

cs.LG↗

arXiv2025

Graph-Structured Data Analysis of Component Failure in Autonomous Cargo Ships Based on Feature Fusion

To address the challenges posed by cascading reactions caused by component failures in autonomous cargo ships (ACS) and the uncertainties in emergency decision-making, this paper proposes a novel hybrid feature fusion framework for constructing a graph-structured dataset of failure modes. By employing an improved cuckoo search algorithm (HN-CSA), the literature retrieval efficiency is significantly enhanced, achieving improvements of 7.1% and 3.4% compared to the NSGA-II and CSA search algorithms, respectively. A hierarchical feature fusion framework is constructed, using Word2Vec encoding to encode subsystem/component features, BERT-KPCA to process failure modes/reasons, and Sentence-BERT to quantify the semantic association between failure impact and emergency decision-making. The dataset covers 12 systems, 1,262 failure modes, and 6,150 propagation paths. Validation results show that the GATE-GNN model achieves a classification accuracy of 0.735, comparable to existing benchmarks. Additionally, a silhouette coefficient of 0.641 indicates that the features are highly distinguishable. In the label prediction results, the Shore-based Meteorological Service System achieved an F1 score of 0.93, demonstrating high prediction accuracy. This paper not only provides a solid foundation for failure analysis in autonomous cargo ships but also offers reliable support for fault diagnosis, risk assessment, and intelligent decision-making systems. The link to the dataset is https://github.com/wojiufukele/Graph-Structured-about-CSA.

cs.LG↗

arXiv2025

A Comprehensive Survey of Electronic Health Record Modeling: From Deep Learning Approaches to Large Language Models

Artificial intelligence (AI) has demonstrated significant potential in transforming healthcare through the analysis and modeling of electronic health records (EHRs). However, the inherent heterogeneity, temporal irregularity, and domain-specific nature of EHR data present unique challenges that differ fundamentally from those in vision and natural language tasks. This survey offers a comprehensive overview of recent advancements at the intersection of deep learning, large language models (LLMs), and EHR modeling. We introduce a unified taxonomy that spans five key design dimensions: data-centric approaches, neural architecture design, learning-focused strategies, multimodal learning, and LLM-based modeling systems. Within each dimension, we review representative methods addressing data quality enhancement, structural and temporal representation, self-supervised learning, and integration with clinical knowledge. We further highlight emerging trends such as foundation models, LLM-driven clinical agents, and EHR-to-text translation for downstream reasoning. Finally, we discuss open challenges in benchmarking, explainability, clinical alignment, and generalization across diverse clinical settings. This survey aims to provide a structured roadmap for advancing AI-driven EHR modeling and clinical decision support. For a comprehensive list of EHR-related methods, kindly refer to https://survey-on-tabular-data.github.io/.

cs.LG↗

arXiv2025

DiaLLMs: EHR Enhanced Clinical Conversational System for Clinical Test Recommendation and Diagnosis Prediction

Recent advances in Large Language Models (LLMs) have led to remarkable progresses in medical consultation. However, existing medical LLMs overlook the essential role of Electronic Health Records (EHR) and focus primarily on diagnosis recommendation, limiting their clinical applicability. We propose DiaLLM, the first medical LLM that integrates heterogeneous EHR data into clinically grounded dialogues, enabling clinical test recommendation, result interpretation, and diagnosis prediction to better align with real-world medical practice. To construct clinically grounded dialogues from EHR, we design a Clinical Test Reference (CTR) strategy that maps each clinical code to its corresponding description and classifies test results as "normal" or "abnormal". Additionally, DiaLLM employs a reinforcement learning framework for evidence acquisition and automated diagnosis. To handle the large action space, we introduce a reject sampling strategy to reduce redundancy and improve exploration efficiency. Furthermore, a confirmation reward and a class-sensitive diagnosis reward are designed to guide accurate diagnosis prediction. Extensive experimental results demonstrate that DiaLLM outperforms baselines in clinical test recommendation and diagnosis prediction.

cs.AI↗

arXiv2025

Bridging Source and Target Domains via Link Prediction for Unsupervised Domain Adaptation on Graphs

Graph neural networks (GNNs) have shown great ability for node classification on graphs. However, the success of GNNs relies on abundant labeled data, while obtaining high-quality labels is costly and challenging, especially for newly emerging domains. Hence, unsupervised domain adaptation (UDA), which trains a classifier on the labeled source graph and adapts it to the unlabeled target graph, is attracting increasing attention. Various approaches have been proposed to alleviate the distribution shift between the source and target graphs to facilitate the classifier adaptation. However, most of them simply adopt existing UDA techniques developed for independent and identically distributed data to gain domain-invariant node embeddings for graphs, which do not fully consider the graph structure and message-passing mechanism of GNNs during the adaptation and will fail when label distribution shift exists among domains. In this paper, we proposed a novel framework that adopts link prediction to connect nodes between source and target graphs, which can facilitate message-passing between the source and target graphs and augment the target nodes to have ``in-distribution'' neighborhoods with the source domain. This strategy modified the target graph on the input level to reduce its deviation from the source domain in the embedding space and is insensitive to disproportional label distributions across domains. To prevent the loss of discriminative information in the target graph, we further design a novel identity-preserving learning objective, which guides the learning of the edge insertion module together with reconstruction and adaptation losses. Experimental results on real-world datasets demonstrate the effectiveness of our framework.

cs.LG↗

arXiv2025

Enhance GNNs with Reliable Confidence Estimation via Adversarial Calibration Learning

Despite their impressive predictive performance, GNNs often exhibit poor confidence calibration, i.e., their predicted confidence scores do not accurately reflect true correctness likelihood. This issue raises concerns about their reliability in high-stakes domains such as fraud detection, and risk assessment, where well-calibrated predictions are essential for decision-making. To ensure trustworthy predictions, several GNN calibration methods are proposed. Though they can improve global calibration, our experiments reveal that they often fail to generalize across different node groups, leading to inaccurate confidence in node groups with different degree levels, classes, and local structures. In certain cases, they even degrade calibration compared to the original uncalibrated GNN. To address this challenge, we propose a novel AdvCali framework that adaptively enhances calibration across different node groups. Our method leverages adversarial training to automatically identify mis-calibrated node groups and applies a differentiable Group Expected Calibration Error (ECE) loss term to refine confidence estimation within these groups. This allows the model to dynamically adjust its calibration strategy without relying on dataset-specific prior knowledge about miscalibrated subgroups. Extensive experiments on real-world datasets demonstrate that our approach not only improves global calibration but also significantly enhances calibration within groups defined by feature similarity, topology, and connectivity, outperforming previous methods and demonstrating its effectiveness in practical scenarios.

cs.LG↗

arXiv2025

Deep Learning within Tabular Data: Foundations, Challenges, Advances and Future Directions

Tabular data remains one of the most prevalent data types across a wide range of real-world applications, yet effective representation learning for this domain poses unique challenges due to its irregular patterns, heterogeneous feature distributions, and complex inter-column dependencies. This survey provides a comprehensive review of state-of-the-art techniques in tabular data representation learning, structured around three foundational design elements: training data, neural architectures, and learning objectives. Unlike prior surveys that focus primarily on either architecture design or learning strategies, we adopt a holistic perspective that emphasizes the universality and robustness of representation learning methods across diverse downstream tasks. We examine recent advances in data augmentation and generation, specialized neural network architectures tailored to tabular data, and innovative learning objectives that enhance representation quality. Additionally, we highlight the growing influence of self-supervised learning and the adaptation of transformer-based foundation models for tabular data. Our review is based on a systematic literature search using rigorous inclusion criteria, encompassing 127 papers published since 2020 in top-tier conferences and journals. Through detailed analysis and comparison, we identify emerging trends, critical gaps, and promising directions for future research, aiming to guide the development of more generalizable and effective tabular data representation methods.

cs.LG↗

arXiv2024

Enhance Graph Alignment for Large Language Models

Graph-structured data is prevalent in the real world. Recently, due to the powerful emergent capabilities, Large Language Models (LLMs) have shown promising performance in modeling graphs. The key to effectively applying LLMs on graphs is converting graph data into a format LLMs can comprehend. Graph-to-token approaches are popular in enabling LLMs to process graph information. They transform graphs into sequences of tokens and align them with text tokens through instruction tuning, where self-supervised instruction tuning helps LLMs acquire general knowledge about graphs, and supervised fine-tuning specializes LLMs for the downstream tasks on graphs. Despite their initial success, we find that existing methods have a misalignment between self-supervised tasks and supervised downstream tasks, resulting in negative transfer from self-supervised fine-tuning to downstream tasks. To address these issues, we propose Graph Alignment Large Language Models (GALLM) to benefit from aligned task templates. In the self-supervised tuning stage, we introduce a novel text matching task using templates aligned with downstream tasks. In the task-specific tuning stage, we propose two category prompt methods that learn supervision information from additional explanation with further aligned templates. Experimental evaluations on four datasets demonstrate substantial improvements in supervised learning, multi-dataset generalizability, and particularly in zero-shot capability, highlighting the model's potential as a graph foundation model.

cs.CL↗

arXiv2024

Enhancing Graph Neural Networks with Limited Labeled Data by Actively Distilling Knowledge from Large Language Models

Graphs are pervasive in the real-world, such as social network analysis, bioinformatics, and knowledge graphs. Graph neural networks (GNNs) have great ability in node classification, a fundamental task on graphs. Unfortunately, conventional GNNs still face challenges in scenarios with few labeled nodes, despite the prevalence of few-shot node classification tasks in real-world applications. To address this challenge, various approaches have been proposed, including graph meta-learning, transfer learning, and methods based on Large Language Models (LLMs). However, traditional meta-learning and transfer learning methods often require prior knowledge from base classes or fail to exploit the potential advantages of unlabeled nodes. Meanwhile, LLM-based methods may overlook the zero-shot capabilities of LLMs and rely heavily on the quality of generated contexts. In this paper, we propose a novel approach that integrates LLMs and GNNs, leveraging the zero-shot inference and reasoning capabilities of LLMs and employing a Graph-LLM-based active learning paradigm to enhance GNNs' performance. Extensive experiments demonstrate the effectiveness of our model in improving node classification accuracy with considerably limited labeled data, surpassing state-of-the-art baselines by significant margins.

cs.LG↗

arXiv2024

HC-GST: Heterophily-aware Distribution Consistency based Graph Self-training

Graph self-training (GST), which selects and assigns pseudo-labels to unlabeled nodes, is popular for tackling label sparsity in graphs. However, recent study on homophily graphs show that GST methods could introduce and amplify distribution shift between training and test nodes as they tend to assign pseudo-labels to nodes they are good at. As GNNs typically perform better on homophilic nodes, there could be potential shifts towards homophilic pseudo-nodes, which is underexplored. Our preliminary experiments on heterophilic graphs verify that these methods can cause shifts in homophily ratio distributions, leading to \textit{training bias} that improves performance on homophilic nodes while degrading it on heterophilic ones. Therefore, we study a novel problem of reducing homophily ratio distribution shifts during self-training on heterophilic graphs. A key challenge is the accurate calculation of homophily ratios and their distributions without extensive labeled data. To tackle them, we propose a novel Heterophily-aware Distribution Consistency-based Graph Self-Training (HC-GST) framework, which estimates homophily ratios using soft labels and optimizes a selection vector to align pseudo-nodes with the global homophily ratio distribution. Extensive experiments on both homophilic and heterophilic graphs show that HC-GST effectively reduces training bias and enhances self-training performance.

cs.SI↗