Peizhi Niu

Wenhao Wang, Peizhi Niu, Gongyi Zou et al.

The Model Context Protocol (MCP) has emerged as a transformative standard for connecting large language models (LLMs) with external data sources and tools, and has been rapidly adopted across personal applications and development platforms. However, existing benchmarks predominantly focus on generic information-seeking tools and fail to capture the practical challenges posed by personal social applications, where tools interact with individual accounts or local databases. To bridge this critical gap, we introduce MCP-Persona, the first benchmark specifically designed for evaluating agent performance on real-world, personalized MCP tools. MCP-Persona encompasses a diverse set of widely-used applications, ranging from social media platforms like Reddit and Xiaohongshu (Rednote) to enterprise collaboration suites such as Lark (Feishu) and Slack. Our extensive experiments on various state-of-the-art (SOTA) agents demonstrate their significant struggles with personalized tool use, thereby highlighting the benchmark's crucial role in identifying and addressing these limitations. MCP-Persona is publicly available at https://github.com/wwh0411/MCP-Persona}{https://github.com/wwh0411/MCP-Persona.

Xinjie Shen, Rongzhe Wei, Peizhi Niu et al.

Hidden malicious intent in multi-turn dialogue poses a growing threat to deployed large language models (LLMs). Rather than exposing a harmful objective in a single prompt, increasingly capable attackers can distribute their intent across multiple benign-looking turns. Recent studies show that even modern commercial models with advanced guardrails remain vulnerable to such attacks despite advances in safety alignment and external guardrails. In this work, we address this challenge by detecting the earliest turn at which delivering the candidate response would make the accumulated interaction sufficient to enable harmful action. This objective requires precise turn-level intervention that identifies the harm-enabling closure point while avoiding premature refusal of benign exploratory conversations. To further support training and evaluation, we construct the Multi-Turn Intent Dataset (MTID), which contains branching attack rollouts, matched benign hard negatives, and annotations of the earliest harm-enabling turns. We show that MTID helps enable a turn-level monitor TurnGate, which substantially outperforms existing baselines in harmful-intent detection while maintaining low over-refusal rates. TurnGate further generalizes across domains, attacker pipelines, and target models. Our code is available at https://github.com/Graph-COM/TurnGate.

Pengcheng Wang, Jerry Huang, Jiarui Yao et al.

Language-model agent systems commonly rely on reactive prompting, in which a single instruction guides the model through an open-ended sequence of reasoning and tool-use steps, leaving control flow and intermediate state implicit and making agent behavior potentially difficult to control. Orchestration frameworks such as LangGraph, DSPy, and CrewAI impose greater structure through explicit workflow definitions, but tightly couple workflow logic with Python, making agents difficult to maintain and modify. In this paper, we introduce AgentSPEX, an Agent SPecification and EXecution Language for specifying LLM-agent workflows with explicit control flow and modular structure, along with a customizable agent harness. AgentSPEX supports typed steps, branching and loops, parallel execution, reusable submodules, and explicit state management, and these workflows execute within an agent harness that provides tool access, a sandboxed virtual environment, and support for checkpointing, verification, and logging. Furthermore, we provide a visual editor with synchronized graph and workflow views for authoring and inspection. We include ready-to-use agents for deep research and scientific research, and we evaluate AgentSPEX on 7 benchmarks. Finally, we show through a user study that AgentSPEX provides a more interpretable and accessible workflow-authoring paradigm than a popular existing agent framework.

Ahmad Al-Tawaha, Shangding Gu, Peizhi Niu et al.

Safety evaluations of memory-equipped LLM agents typically measure within-task safety: whether an agent completes a single scenario safely, often under adversarial conditions such as prompt injection or memory poisoning. In deployment, however, a single agent serves many independent tasks over a long horizon, and memory accumulated during earlier tasks can affect behavior on later, unrelated ones. Studying this regime requires evaluation along the temporal dimension across tasks: not whether an agent is safe at any single memory state, but how its safety profile changes as memory accumulates across many independent interactions. We call this failure mode temporal memory contamination. To isolate memory exposure from stream non-stationarity, we introduce a trigger-probe protocol that evaluates a fixed probe set against read-only memory snapshots at varying prefix lengths, together with a NullMemory counterfactual baseline for identifying memory-induced violations. We apply this protocol across three deployment scenarios spanning records, memos, forms, and email correspondence and eight memory architectures, and additionally on Claw-like AI agents, such as OpenClaw, using the platform's native memory mechanism. Memory-enabled agents consistently exceed the NullMemory baseline, and memory-induced violation rates show a robust upward trend with exposure length on both agent classes. Order-randomization experiments indicate that the effect is driven primarily by accumulated content rather than encounter order. Finally, a structural consequence of the event decomposition is that memory-induced risk is detectable from retrieval state before generation, which we confirm with a high-recall diagnostic monitor. Our results argue for treating memory safety as a longitudinal property that requires temporal evaluation, not a single-state property that can be captured by a snapshot.

Yuke Xing, Jiarui Wang, Peizhi Niu et al.

3D Gaussian Splatting (3DGS) has emerged as a promising approach for novel view synthesis, offering real-time rendering with high visual fidelity. However, its substantial storage requirements present significant challenges for practical applications. While recent state-of-the-art (SOTA) 3DGS methods increasingly incorporate dedicated compression modules, there is a lack of a comprehensive framework to evaluate their perceptual impact. Therefore we present 3DGS-IEval-15K, the first large-scale image quality assessment (IQA) dataset specifically designed for compressed 3DGS representations. Our dataset encompasses 15,200 images rendered from 10 real-world scenes through 6 representative 3DGS algorithms at 20 strategically selected viewpoints, with different compression levels leading to various distortion effects. Through controlled subjective experiments, we collect human perception data from 60 viewers. We validate dataset quality through scene diversity and MOS distribution analysis, and establish a comprehensive benchmark with 30 representative IQA metrics covering diverse types. As the largest-scale 3DGS quality assessment dataset to date, our work provides a foundation for developing 3DGS specialized IQA metrics, and offers essential data for investigating view-dependent quality distribution patterns unique to 3DGS. The database is publicly available at https://github.com/YukeXing/3DGS-IEval-15K.

Wenhao Wang, Peizhi Niu, Zhao Xu et al.

Large Language Models (LLMs) increasingly rely on external tools to perform complex, realistic tasks, yet their ability to utilize the rapidly expanding Model Contextual Protocol (MCP) ecosystem remains limited. Existing MCP research covers few servers, depends on costly manual curation, and lacks training support, hindering progress toward real-world deployment. To overcome these limitations, we introduce MCP-Flow, an automated web-agent-driven pipeline for large-scale server discovery, data synthesis, and model training. MCP-Flow collects and filters data from 1166 servers and 11536 tools, producing 68733 high-quality instruction-function call pairs and 6439 trajectories, far exceeding prior work in scale and diversity. Extensive experiments demonstrate MCP-Flow's effectiveness in driving superior MCP tool selection, function-call generation, and enhanced agentic task performance. MCP-Flow thus provides a scalable foundation for advancing LLM agents' proficiency in real-world MCP environments. MCP-Flow is publicly available at \href{https://github.com/wwh0411/MCP-Flow}{https://github.com/wwh0411/MCP-Flow}.

Peizhi Niu, Yu-Hsiang Wang, Vishal Rana et al.

We introduce a new graph diffusion model for small molecule generation, DMol, which outperforms the state-of-the-art DiGress model in terms of validity by roughly 1.5% across all benchmarking datasets while reducing the number of diffusion steps by at least 10-fold, and the running time to roughly one half. The performance improvements are a result of a careful change in the objective function and a graph noise scheduling approach which, at each diffusion step, allows one to only change a subset of nodes of varying size in the molecule graph. Another relevant property of the method is that it can be easily combined with junction-tree-like graph representations that arise by compressing a collection of relevant ring structures into supernodes. Unlike classical junction-tree techniques that involve VAEs and require complicated reconstruction steps, compressed DMol directly performs graph diffusion on a graph that compresses only a carefully selected set of frequent carbon rings into supernodes, which results in straightforward sample generation. This compressed DMol method offers additional validity improvements over generic DMol of roughly 2%, increases the novelty of the method, and further improves the running time due to reductions in the graph size.

Peizhi Niu, Evelyn Ma, Huiting Zhou et al.

Unlearning in large language models is becoming increasingly important due to regulatory compliance, copyright protection, and privacy concerns. However, a key challenge in LLM unlearning is unintended forgetting, where the removal of specific data inadvertently impairs the utility of the model and its retention of valuable, desired information. While prior work has primarily focused on architectural innovations, the influence of data-level factors on unlearning performance remains underexplored. As a result, existing methods often suffer from degraded retention when forgetting high-impact data. To address this problem, we propose GUARD, a novel framework for Guided Unlearning And Retention via Data attribution. At its core, GUARD introduces a lightweight proxy data attribution metric tailored for LLM unlearning, which quantifies the alignment between the Forget and Retain sets while remaining computationally efficient. Building on this, we design a novel unlearning objective that assigns adaptive, nonuniform unlearning weights to samples, inversely proportional to their proxy attribution scores. Through such a reallocation of unlearning power, GUARD mitigates unintended retention loss. We also provide rigorous theoretical guarantees that GUARD significantly improves retention while maintaining forgetting metrics comparable to prior methods. Extensive experiments on the TOFU and MUSE benchmarks across multiple LLM architectures demonstrate that GUARD reduces utility sacrifice on the TOFU Retain Set by up to 194.92 percent in terms of Truth Ratio when forgetting 10 percent of the training data, and improves knowledge retention on the MUSE NEWS Retain Set by 16.20 percent, with comparable or very moderate increases in privacy loss compared to state-of-the-art methods.

Tianhao Wei, Hanjiang Hu, Luca Marzari et al.

Deep Neural Networks (DNN) are crucial in approximating nonlinear functions across diverse applications, ranging from image classification to control. Verifying specific input-output properties can be a highly challenging task due to the lack of a single, self-contained framework that allows a complete range of verification types. To this end, we present \texttt{ModelVerification.jl (MV)}, the first comprehensive, cutting-edge toolbox that contains a suite of state-of-the-art methods for verifying different types of DNNs and safety specifications. This versatile toolbox is designed to empower developers and machine learning practitioners with robust tools for verifying and ensuring the trustworthiness of their DNN models.

Peizhi Niu, Chao Pan, Siheng Chen et al.

Graph neural networks (GNNs) have become instrumental in diverse real-world applications, offering powerful graph learning capabilities for tasks such as social networks and medical data analysis. Despite their successes, GNNs are vulnerable to adversarial attacks, including membership inference attacks (MIA), which threaten privacy by identifying whether a record was part of the model's training data. While existing research has explored MIA in GNNs under graph inductive learning settings, the more common and challenging graph transductive learning setting remains understudied in this context. This paper addresses this gap and proposes an effective two-stage defense, Graph Transductive Defense (GTD), tailored to graph transductive learning characteristics. The gist of our approach is a combination of a train-test alternate training schedule and flattening strategy, which successfully reduces the difference between the training and testing loss distributions. Extensive empirical results demonstrate the superior performance of our method (a decrease in attack AUROC by $9.42\%$ and an increase in utility performance by $18.08\%$ on average compared to LBP), highlighting its potential for seamless integration into various classification models with minimal overhead.