activity
20222026
most citedTowards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

30 citations · 70 across the 13 of their papers we have counts for

collaborators

13 papers

cs.AI2026

OrchBench: Evaluating Multi-Agent Orchestration Plans in Isolation via Deterministic Simulation

Zhenzhen Ren, Jiyan He, Xinpeng Zhang +5

Complex tasks often decompose into parallelizable yet interdependent subtasks, making orchestration critical to the performance of multi-agent systems (MAS). Existing evaluations t…

cs.HC2026

Learning behavior accounts for background-related advantage in AI-assisted education

Jingwei Yi, Yueqi Xie, Jiyan He +7

Generative AI has been found, and will likely be found increasingly, useful in education. However, existing AI-for-education studies provide inconsistent evidence on its average ef…

cs.CR2026

GUIGuard-Bench: Toward a General Evaluation for Privacy-Preserving GUI Agents

Yanxi Wang, Zhiling Zhang, Wenbo Zhou +6

As GUI agents increasingly rely on screenshots to perceive and operate digital environments, they may inadvertently expose sensitive information such as identities, accounts, locat…

cs.AI2025

GTM: Simulating the World of Tools for AI Agents

Zhenzhen Ren, Xinpeng Zhang, Zhenxing Qian +4

The integration of external tools is pivotal for empowering Large Language Model (LLM) agents with real-world capabilities. However, training these agents through direct, continuou…

cs.MA2025

Modeling Earth-Scale Human-Like Societies with One Billion Agents

Haoxiang Guan, Jiyan He, Liyang Fan +10

Understanding the dynamic evolution of complex social phenomena requires both high-fidelity modeling of human behavior and large-scale simulations. Traditional agent-based models (…

cs.LG2024

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

Yuxuan Ren, Dihan Zheng, Chang Liu +7

In recent years, machine learning has demonstrated impressive capability in handling molecular science tasks. To support various molecular properties at scale, machine learning mod…

cs.CR2024★ 1 cited

AquaLoRA: Toward White-box Protection for Customized Stable Diffusion Models via Watermark LoRA

Weitao Feng, Wenbo Zhou, Jiyan He +6

Diffusion models have achieved remarkable success in generating high-quality images. Recently, the open-source models represented by Stable Diffusion (SD) are thriving and are acce…

cs.CL2024

Towards Generalist Prompting for Large Language Models by Mental Models

Haoxiang Guan, Jiyan He, Shuxin Zheng +3

Large language models (LLMs) have demonstrated impressive performance on many tasks. However, to achieve optimal performance, specially designed prompting methods are still needed.…

cs.AI2023★ 6 cited

Controlling risks of AI in chemical science with agents

Jiyan He, Weitao Feng, Haoxiang Guan +11

Artificial intelligence is rapidly advancing scientific discovery, but this progress carries risks of misuse, such as the creation of harmful substances, or circumvention of establ…

cs.CR2023★ 3 cited

Catch You Everything Everywhere: Guarding Textual Inversion via Concept Watermarking

Weitao Feng, Jiyan He, Jie Zhang +4

AIGC (AI-Generated Content) has achieved tremendous success in many applications such as text-to-image tasks, where the model can generate high-quality images with diverse prompts,…

physics.chem-ph2023★ 30 cited

Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

Shuxin Zheng, Jiyan He, Chang Liu +15

Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not fun…

cs.LG2022★ 4 cited

Exploring the Limits of Differentially Private Deep Learning with Group-wise Clipping

Jiyan He, Xuechen Li, Da Yu +6

Differentially private deep learning has recently witnessed advances in computational efficiency and privacy-utility trade-off. We explore whether further improvements along the tw…

cs.LG2022★ 26 cited

Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets

Yu Shi, Shuxin Zheng, Guolin Ke +7

This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. With these simple…