Ph.D. Student · Virginia Tech

Wangzhi Zhan

I work on AI for Science, geometric deep learning, and data-driven mechanical metamaterial design, with a focus on generative models, multimodal reasoning, and human-AI scientific discovery systems.

Research

AI for Mechanical Metamaterial Discovery

My research goal is to build general-purpose AI systems that can reason about, generate, and evaluate mechanical metamaterials from multimodal and multi-objective perspectives.

  • Unified generative models for inverse and forward design
  • 3D geometric learning and diffusion for topology generation
  • Human-AI collaborative frameworks for scientific ideation
  • Benchmarks and toolkits for reproducible metamaterial ML
AI for Science Generative Models 3D Geometry Metamaterials

Talks

  • ICML 2025
    “UniMate: Unified Learning for Mechanical Metamaterial Design” · Vancouver, Canada

Contact

Email: wzhan24 [at] vt [dot] edu

Office: D&DS, Virginia Tech

GitHub: wzhan24

Google Scholar: Scholar Profile

About

I am a Ph.D. student in Computer Science at Virginia Tech, advised by Prof. Dawei Zhou. My research lies at the intersection of AI for Science and geometric deep learning, with a focus on data-driven and knowledge-guided mechanical metamaterial design.

I develop unified frameworks that integrate 3D topology, density conditions, and mechanical properties for efficient and controllable material generation and evaluation. My recent work explores diffusion models, symbolic reasoning, and human-in-the-loop systems for automated hypothesis generation, structure refinement, and interactive scientific discovery.

Publications

UniMate: A Unified Model for Mechanical Metamaterial Generation, Property Prediction, and Condition Confirmation
Wangzhi Zhan, Jianpeng Chen, Dongqi Fu, Dawei Zhou
International Conference on Machine Learning (ICML), 2025

We propose UniMate, a unified generative model for mechanical metamaterial design that simultaneously handles 3D topology, density conditions, and mechanical property prediction.

MetamatBench: Integrating Heterogeneous Data, Computational Tools, and Visual Interface for Metamaterial Discovery
Jianpeng Chen, Wangzhi Zhan, Haohui Wang, Zian Jia, et al.
ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD), 2025

MetamatBench is a comprehensive benchmark for metamaterial discovery, combining multimodal datasets, machine learning models, and a visual-interactive interface for human-AI collaboration.

METASCIENTIST: A Human-AI Synergistic Framework for Automated Mechanical Metamaterial Design
Jingyuan Qi*, Zian Jia*, Minqian Liu, Wangzhi Zhan, et al.
North American Chapter of the Association for Computational Linguistics (NAACL), Demo Track, 2025

METASCIENTIST is a human-in-the-loop framework combining large language models, symbolic reasoning, and 3D structure diffusion for hypothesis-driven metamaterial generation and refinement.

MetaRef: A Generalizable Physics-Aware Refinement Framework for Metamaterial Design
Alexander Lu, Wangzhi Zhan, Jianpeng Chen, Dawei Zhou
IEEE International Conference on Data Mining Workshops (ICDMW), 2025

MetaRef is a physics-aware refinement framework that improves the geometric regularity of machine-generated metamaterials, including symmetry, periodicity, and connectivity, through a Lattice Sensor and Physics-Aware Refiner.

The End of Trial-and-Error: A Vision for Generative Intelligence in Metamaterial Design
Adithya Kulkarni, Haohui Wang, Wangzhi Zhan, Jianpeng Chen, Dawei Zhou
IEEE International Conference on Data Mining Workshops (ICDMW), 2025

This Blue Sky paper presents a vision for generative intelligence in metamaterial design, arguing for a transition from costly trial-and-error workflows to autonomous, data-driven exploration and invention.

DuetDA: Decomposed and Dynamic Data Attribution with Model-State Gating for Accelerated Scientific Endeavors
Jianpeng Chen, Wangzhi Zhan, Haohui Wang, Dongqi Fu, Dawei Zhou
Preprint / Under Review

DuetDA is a decomposed and dynamic data attribution framework that assigns memorization and generalization values to scientific data, using model-state gating to accelerate training and improve out-of-distribution performance.

PHYVER: Physics-Grounded Material Claim Verification with Multi-Fidelity Physical Evidence
Jianpeng Chen*, Wangzhi Zhan*, Haohui Wang, Brian Mayer, Dongqi Fu, Dawei Zhou
Preprint / Under Review

PHYVER is a physics-grounded material claim verification system that translates free-form material claims into executable multi-fidelity physical evidence, including MLIP-based optimization and DFT computation.