Zian Jia

Zian Jia, Yun Xiong, Yuhong Nan et al.

Advance Persistent Threats (APTs), adopted by most delicate attackers, are becoming increasing common and pose great threat to various enterprises and institutions. Data provenance analysis on provenance graphs has emerged as a common approach in APT detection. However, previous works have exhibited several shortcomings: (1) requiring attack-containing data and a priori knowledge of APTs, (2) failing in extracting the rich contextual information buried within provenance graphs and (3) becoming impracticable due to their prohibitive computation overhead and memory consumption. In this paper, we introduce MAGIC, a novel and flexible self-supervised APT detection approach capable of performing multi-granularity detection under different level of supervision. MAGIC leverages masked graph representation learning to model benign system entities and behaviors, performing efficient deep feature extraction and structure abstraction on provenance graphs. By ferreting out anomalous system behaviors via outlier detection methods, MAGIC is able to perform both system entity level and batched log level APT detection. MAGIC is specially designed to handle concept drift with a model adaption mechanism and successfully applies to universal conditions and detection scenarios. We evaluate MAGIC on three widely-used datasets, including both real-world and simulated attacks. Evaluation results indicate that MAGIC achieves promising detection results in all scenarios and shows enormous advantage over state-of-the-art APT detection approaches in performance overhead.

Jianpeng Chen, Wangzhi Zhan, Haohui Wang et al.

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning (ML) for metamaterial discovery is hindered by three fundamental challenges: (C1) Data Heterogeneity Challenge arises from heterogeneous data sources, heterogeneous composition scales, and heterogeneous structure categories; (C2) Model Complexity Challenge stems from the intricate geometric constraints of ML models, which complicate their adaptation to metamaterial structures; and (C3) Human-AI Collaboration Challenge comes from the "dual black-box'' nature of sophisticated ML models and the need for intuitive user interfaces. To tackle these challenges, we introduce a unified framework, named MetamatBench, that operates on three levels. (1) At the data level, we integrate and standardize 5 heterogeneous, multi-modal metamaterial datasets. (2) The ML level provides a comprehensive toolkit that adapts 17 state-of-the-art ML methods for metamaterial discovery. It also includes a comprehensive evaluation suite with 12 novel performance metrics with finite element-based assessments to ensure accurate and reliable model validation. (3) The user level features a visual-interactive interface that bridges the gap between complex ML techniques and non-ML researchers, advancing property prediction and inverse design of metamaterials for research and applications. MetamatBench offers a unified platform deployed at http://zhoulab-1.cs.vt.edu:5550 that enables machine learning researchers and practitioners to develop and evaluate new methodologies in metamaterial discovery. For accessibility and reproducibility, we open-source our benchmark and the codebase at https://github.com/cjpcool/Metamaterial-Benchmark.

Yunhao Liu, Zian Jia, Xinyu Gao et al.

Retrieval-Augmented Generation (RAG) effectively grounds Large Language Models (LLMs) with external knowledge and is widely applied to Web-related tasks. However, its scalability is hindered by excessive context length and redundant retrievals. Recent research on soft context compression aims to address this by encoding long documents into compact embeddings, yet they often underperform non-compressed RAG due to their reliance on auto-encoder-like full-compression that forces the encoder to compress all document information regardless of relevance to the input query. In this work, we conduct an analysis on this paradigm and reveal two fundamental limitations: (I) Infeasibility, full-compression conflicts with the LLM's downstream generation behavior; and (II) Non-necessity: full-compression is unnecessary and dilutes task-relevant information density. Motivated by these insights, we introduce SeleCom, a selector-based soft compression framework for RAG that redefines the encoder's role as query-conditioned information selector. The selector is decoder-only and is trained with a massive, diverse and difficulty-graded synthetic QA dataset with curriculum learning. Extensive experiments show that SeleCom significantly outperforms existing soft compression approaches and achieves competitive or superior performance to non-compression baselines, while reducing computation and latency by 33.8%~84.6%.

Jianpeng Chen, Wangzhi Zhan, Dongqi Fu et al.

Metamaterial discovery seeks microstructured materials whose geometry induces targeted mechanical behavior. Existing inverse-design methods can efficiently generate candidates, but they typically require explicit numerical property targets and are less suitable for early-stage exploration, where researchers often begin with incomplete constraints and qualitative intents expressed in natural language. Large language models can interpret such intents, but they lack geometric awareness and physical property validity. To address this gap, we propose MetaSymbO, a multi-agent framework for language-guided Metamaterial discovery via Symbolic-driven latent evOlution. Specifically, MetaSymbO contains three agents: a Designer that interprets free-form design intents and retrieves a semantically consistent scaffold, a Generator that synthesizes candidate microstructures in a disentangled latent space, and a Supervisor that provides fast property-aware feedback for iterative refinement. To move beyond the limitations of reproducing known samples from literature and training data, we further introduce symbolic-driven latent evolution, which applies programmable operators over disentangled latent factors to compose, modify, and refine structures at inference time. Extensive experiments demonstrate that (i) MetaSymbO improves structural validity by up to 34% in symmetry and nearly 98% in periodicity compared to state-of-the-art baselines; (ii) MetaSymbO achieves about 6-7% higher language-guidance scores while maintaining superior structure novelty compared to advanced reasoning LLMs; (iii) qualitative analyses confirm the effectiveness of symbolic logic operators in enabling programmable semantic alignment; and (iv) realworld case studies on auxetic, high-stiffness metamaterial design further validate its practical capability.

Jingyuan Qi, Zian Jia, Minqian Liu et al.

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel metamaterials, we present MetaScientist, a human-in-the-loop system that integrates advanced AI capabilities with expert oversight with two primary phases: (1) hypothesis generation, where the system performs complex reasoning to generate novel and scientifically sound hypotheses, supported with domain-specific foundation models and inductive biases retrieved from existing literature; (2) 3D structure synthesis, where a 3D structure is synthesized with a novel 3D diffusion model based on the textual hypothesis and refined it with a LLM-based refinement model to achieve better structure properties. At each phase, domain experts iteratively validate the system outputs, and provide feedback and supplementary materials to ensure the alignment of the outputs with scientific principles and human preferences. Through extensive evaluation from human scientists, MetaScientist is able to deliver novel and valid mechanical metamaterial designs that have the potential to be highly impactful in the metamaterial field.

Siwei Zhang, Yun Xiong, Yateng Tang et al.

Temporal graph neural networks (TGNNs) have shown remarkable performance in temporal graph modeling. However, real-world temporal graphs often possess rich textual information, giving rise to temporal text-attributed graphs (TTAGs). Such combination of dynamic text semantics and evolving graph structures introduces heightened complexity. Existing TGNNs embed texts statically and rely heavily on encoding mechanisms that biasedly prioritize structural information, overlooking the temporal evolution of text semantics and the essential interplay between semantics and structures for synergistic reinforcement. To tackle these issues, we present \textbf{CROSS}, a flexible framework that seamlessly extends existing TGNNs for TTAG modeling. CROSS is designed by decomposing the TTAG modeling process into two phases: (i) temporal semantics extraction; and (ii) semantic-structural information unification. The key idea is to advance the large language models (LLMs) to dynamically extract the temporal semantics in text space and then generate cohesive representations unifying both semantics and structures. Specifically, we propose a Temporal Semantics Extractor in the CROSS framework, which empowers LLMs to offer the temporal semantic understanding of node's evolving contexts of textual neighborhoods, facilitating semantic dynamics. Subsequently, we introduce the Semantic-structural Co-encoder, which collaborates with the above Extractor for synthesizing illuminating representations by jointly considering both semantic and structural information while encouraging their mutual reinforcement. Extensive experiments show that CROSS achieves state-of-the-art results on four public datasets and one industrial dataset, with 24.7% absolute MRR gain on average in temporal link prediction and 3.7% AUC gain in node classification of industrial application.

Junkai Zhang, Jingru Gan, Xiaoxuan Wang et al.

Large Language Models (LLMs) have demonstrated remarkable abilities in scientific reasoning, yet their reasoning capabilities in materials science remain underexplored. To fill this gap, we introduce MatSciBench, a comprehensive college-level benchmark comprising 1,340 problems that span the essential subdisciplines of materials science. MatSciBench features a structured and fine-grained taxonomy that categorizes materials science questions into 6 primary fields and 31 sub-fields, and includes a three-tier difficulty classification based on the reasoning length required to solve each question. MatSciBench provides detailed reference solutions enabling precise error analysis and incorporates multimodal reasoning through visual contexts in numerous questions. Evaluations of leading models reveal that even the highest-performing model, Gemini-2.5-Pro, achieves under 80% accuracy on college-level materials science questions, highlighting the complexity of MatSciBench. Our systematic analysis of different reasoning strategie--basic chain-of-thought, tool augmentation, and self-correction--demonstrates that no single method consistently excels across all scenarios. We further analyze performance by difficulty level, examine trade-offs between efficiency and accuracy, highlight the challenges inherent in multimodal reasoning tasks, analyze failure modes across LLMs and reasoning methods, and evaluate the influence of retrieval-augmented generation. MatSciBench thus establishes a comprehensive and solid benchmark for assessing and driving improvements in the scientific reasoning capabilities of LLMs within the materials science domain.