BHyGNN+: Unsupervised Representation Learning for Heterophilic Hypergraphs

Hypergraph Neural Networks (HyGNNs) have demonstrated remarkable success in modeling higher-order relationships among entities. However, their performance often degrades on heterophilic hypergraphs, where nodes connected by the same hyperedge tend to have dissimilar semantic representations or belong to different classes. While several HyGNNs, including our prior work BHyGNN, have been proposed to address heterophily, their reliance on labeled data significantly limits their applicability in real-world scenarios where annotations are scarce or costly. To overcome this limitation, we introduce BHyGNN+, a self-supervised learning framework that extends BHyGNN for representation learning on heterophilic hypergraphs without requiring ground-truth labels. The core idea of BHyGNN+ is hypergraph duality, a structural transformation where the roles of nodes and hyperedges are interchanged. By contrasting augmented views of a hypergraph against its dual using cosine similarity, our framework captures essential structural patterns in a fully unsupervised manner. Notably, this duality-based formulation eliminates the need for negative samples, a common requirement in existing hypergraph contrastive learning methods that is often difficult to satisfy in practice. Extensive experiments on eleven benchmark datasets demonstrate that BHyGNN+ consistently outperforms state-of-the-art supervised and self-supervised baselines on both heterophilic and homophilic hypergraphs. Our results validate the effectiveness of leveraging hypergraph duality for self-supervised learning and establish a new paradigm for representation learning on challenging, unlabeled hypergraphs.

OPBench: A Graph Benchmark to Combat the Opioid Crisis

The opioid epidemic continues to ravage communities worldwide, straining healthcare systems, disrupting families, and demanding urgent computational solutions. To combat this lethal opioid crisis, graph learning methods have emerged as a promising paradigm for modeling complex drug-related phenomena. However, a significant gap remains: there is no comprehensive benchmark for systematically evaluating these methods across real-world opioid crisis scenarios. To bridge this gap, we introduce OPBench, the first comprehensive opioid benchmark comprising five datasets across three critical application domains: opioid overdose detection from healthcare claims, illicit drug trafficking detection from digital platforms, and drug misuse prediction from dietary patterns. Specifically, OPBench incorporates diverse graph structures, including heterogeneous graphs and hypergraphs, to preserve the rich and complex relational information among drug-related data. To address data scarcity, we collaborate with domain experts and authoritative institutions to curate and annotate datasets while adhering to privacy and ethical guidelines. Furthermore, we establish a unified evaluation framework with standardized protocols, predefined data splits, and reproducible baselines to facilitate fair and systematic comparison among graph learning methods. Through extensive experiments, we analyze the strengths and limitations of existing graph learning methods, thereby providing actionable insights for future research in combating the opioid crisis. Our source code and datasets are available at https://github.com/Tianyi-Billy-Ma/OPBench.

Molecular Representations in Implicit Functional Space via Hyper-Networks

Molecular representations fundamentally shape how machine learning systems reason about molecular structure and physical properties. Most existing approaches adopt a discrete pipeline: molecules are encoded as sequences, graphs, or point clouds, mapped to fixed-dimensional embeddings, and then used for task-specific prediction. This paradigm treats molecules as discrete objects, despite their intrinsically continuous and field-like physical nature. We argue that molecular learning can instead be formulated as learning in function space. Specifically, we model each molecule as a continuous function over three-dimensional (3D) space and treat this molecular field as the primary object of representation. From this perspective, conventional molecular representations arise as particular sampling schemes of an underlying continuous object. We instantiate this formulation with MolField, a hyper-network-based framework that learns distributions over molecular fields. To ensure physical consistency, these functions are defined over canonicalized coordinates, yielding invariance to global SE(3) transformations. To enable learning directly over functions, we introduce a structured weight tokenization and train a sequence-based hyper-network to model a shared prior over molecular fields. We evaluate MolField on molecular dynamics and property prediction. Our results show that treating molecules as continuous functions fundamentally changes how molecular representations generalize across tasks and yields downstream behavior that is stable to how molecules are discretized or queried.

GLEN-Bench: A Graph-Language based Benchmark for Nutritional Health

Nutritional interventions are important for managing chronic health conditions, but current computational methods provide limited support for personalized dietary guidance. We identify three key gaps: (1) dietary pattern studies often ignore real-world constraints such as socioeconomic status, comorbidities, and limited food access; (2) recommendation systems rarely explain why a particular food helps a given patient; and (3) no unified benchmark evaluates methods across the connected tasks needed for nutritional interventions. We introduce GLEN-Bench, the first comprehensive graph-language based benchmark for nutritional health assessment. We combine NHANES health records, FNDDS food composition data, and USDA food-access metrics to build a knowledge graph that links demographics, health conditions, dietary behaviors, poverty-related constraints, and nutrient needs. We test the benchmark using opioid use disorder, where models must detect subtle nutritional differences across disease stages. GLEN-Bench includes three linked tasks: risk detection identifies at-risk individuals from dietary and socioeconomic patterns; recommendation suggests personalized foods that meet clinical needs within resource constraints; and question answering provides graph-grounded, natural-language explanations to facilitate comprehension. We evaluate these graph-language approaches, including graph neural networks, large language models, and hybrid architectures, to establish solid baselines and identify practical design choices. Our analysis identifies clear dietary patterns linked to health risks, providing insights that can guide practical interventions.

Efficient and Minimax-optimal In-context Nonparametric Regression with Transformers

We study in-context learning for nonparametric regression with $α$-Hölder smooth regression functions, for some $α>0$. We prove that, with $n$ in-context examples and $d$-dimensional regression covariates, a pretrained transformer with $Θ(\log n)$ parameters and $Ω\bigl(n^{2α/(2α+d)}\log^3 n\bigr)$ pretraining sequences can achieve the minimax-optimal rate of convergence $O\bigl(n^{-2α/(2α+d)}\bigr)$ in mean squared error. Our result requires substantially fewer transformer parameters and pretraining sequences than previous results in the literature. This is achieved by showing that transformers are able to approximate local polynomial estimators efficiently by implementing a kernel-weighted polynomial basis and then running gradient descent.

ArchAgent: Scalable Legacy Software Architecture Recovery with LLMs

Recovering accurate architecture from large-scale legacy software is hindered by architectural drift, missing relations, and the limited context of Large Language Models (LLMs). We present ArchAgent, a scalable agent-based framework that combines static analysis, adaptive code segmentation, and LLM-powered synthesis to reconstruct multiview, business-aligned architectures from cross-repository codebases. ArchAgent introduces scalable diagram generation with contextual pruning and integrates cross-repository data to identify business-critical modules. Evaluations of typical large-scale GitHub projects show significant improvements over existing benchmarks. An ablation study confirms that dependency context improves the accuracy of generated architectures of production-level repositories, and a real-world case study demonstrates effective recovery of critical business logics from legacy projects. The dataset is available at https://github.com/panrusheng/arch-eval-benchmark.

GUITester: Enabling GUI Agents for Exploratory Defect Discovery

Exploratory GUI testing is essential for software quality but suffers from high manual costs. While Multi-modal Large Language Model (MLLM) agents excel in navigation, they fail to autonomously discover defects due to two core challenges: \textit{Goal-Oriented Masking}, where agents prioritize task completion over reporting anomalies, and \textit{Execution-Bias Attribution}, where system defects are misidentified as agent errors. To address these, we first introduce \textbf{GUITestBench}, the first interactive benchmark for this task, featuring 143 tasks across 26 defects. We then propose \textbf{GUITester}, a multi-agent framework that decouples navigation from verification via two modules: (i) a \textit{Planning-Execution Module (PEM)} that proactively probes for defects via embedded testing intents, and (ii) a \textit{Hierarchical Reflection Module (HRM)} that resolves attribution ambiguity through interaction history analysis. GUITester achieves an F1-score of 48.90\% (Pass@3) on GUITestBench, outperforming state-of-the-art baselines (33.35\%). Our work demonstrates the feasibility of autonomous exploratory testing and provides a robust foundation for future GUI quality assurance~\footnote{Our code is now available in~\href{https://github.com/ADaM-BJTU/GUITestBench}{https://github.com/ADaM-BJTU/GUITestBench}}.

LongDA: Benchmarking LLM Agents for Long-Document Data Analysis

We introduce LongDA, a data analysis benchmark for evaluating LLM-based agents under documentation-intensive analytical workflows. In contrast to existing benchmarks that assume well-specified schemas and inputs, LongDA targets real-world settings in which navigating long documentation and complex data is the primary bottleneck. To this end, we manually curate raw data files, long and heterogeneous documentation, and expert-written publications from 17 publicly available U.S. national surveys, from which we extract 505 analytical queries grounded in real analytical practice. Solving these queries requires agents to first retrieve and integrate key information from multiple unstructured documents, before performing multi-step computations and writing executable code, which remains challenging for existing data analysis agents. To support the systematic evaluation under this setting, we develop LongTA, a tool-augmented agent framework that enables document access, retrieval, and code execution, and evaluate a range of proprietary and open-source models. Our experiments reveal substantial performance gaps even among state-of-the-art models, highlighting the challenges researchers should consider before applying LLM agents for decision support in real-world, high-stakes analytical settings.

MMGR: Multi-Modal Generative Reasoning

Video foundation models generate visually realistic and temporally coherent content, but their reliability as world simulators depends on whether they capture physical, logical, and spatial constraints. Existing metrics such as Frechet Video Distance (FVD) emphasize perceptual quality and overlook reasoning failures, including violations of causality, physics, and global consistency. We introduce MMGR (Multi-Modal Generative Reasoning Evaluation and Benchmark), a principled evaluation framework based on five reasoning abilities: Physical, Logical, 3D Spatial, 2D Spatial, and Temporal. MMGR evaluates generative reasoning across three domains: Abstract Reasoning (ARC-AGI, Sudoku), Embodied Navigation (real-world 3D navigation and localization), and Physical Commonsense (sports and compositional interactions). MMGR applies fine-grained metrics that require holistic correctness across both video and image generation. We benchmark leading video models (Veo-3, Sora-2, Wan-2.2) and image models (Nano-banana, Nano-banana Pro, GPT-4o-image, Qwen-image), revealing strong performance gaps across domains. Models show moderate success on Physical Commonsense tasks but perform poorly on Abstract Reasoning (below 10 percent accuracy on ARC-AGI) and struggle with long-horizon spatial planning in embodied settings. Our analysis highlights key limitations in current models, including overreliance on perceptual data, weak global state consistency, and objectives that reward visual plausibility over causal correctness. MMGR offers a unified diagnostic benchmark and a path toward reasoning-aware generative world models.

Breaking Down and Building Up: Mixture of Skill-Based Vision-and-Language Navigation Agents

Vision-and-Language Navigation (VLN) poses significant challenges in enabling agents to interpret natural language instructions and navigate complex 3D environments. While recent progress has been driven by large-scale pre-training and data augmentation, current methods still struggle to generalize to unseen scenarios, particularly when complex spatial and temporal reasoning is required. In this work, we propose SkillNav, a modular framework that introduces structured, skill-based reasoning into Transformer-based VLN agents. Our method decomposes navigation into a set of interpretable atomic skills (e.g., Vertical Movement, Area and Region Identification, Stop and Pause), each handled by a specialized agent. We then introduce a novel zero-shot Vision-Language Model (VLM)-based router, which dynamically selects the most suitable agent at each time step by aligning sub-goals with visual observations and historical actions. SkillNav achieves a new state-of-the-art performance on the R2R benchmark and demonstrates strong generalization to the GSA-R2R benchmark that includes novel instruction styles and unseen environments.