activity
20242026
most citedMultimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

3 citations · 4 across the 5 of their papers we have counts for

collaborators

13 papers

cs.RO2026

PhyScensis: Physics-Augmented LLM Agents for Complex Physical Scene Arrangement

Yian Wang, Han Yang, Minghao Guo +5

Automatically generating interactive 3D environments is crucial for scaling up robotic data collection in simulation. While prior work has primarily focused on 3D asset placement,…

q-bio.QM2025

Protein Structure Tokenization via Geometric Byte Pair Encoding

Michael Sun, Weize Yuan, Gang Liu +2

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the la…

cs.LG2025

ZeroShotOpt: Towards Zero-Shot Pretrained Models for Efficient Black-Box Optimization

Jamison Meindl, Yunsheng Tian, Tony Cui +6

Global optimization of expensive, derivative-free black-box functions requires extreme sample efficiency. While Bayesian optimization (BO) is the current state-of-the-art, its perf…

cs.RO2025

Kinematic Kitbashing

Minghao Guo, Victor Zordan, Sheldon Andrews +3

We introduce Kinematic Kitbashing, an optimization framework that synthesizes articulated 3D objects by assembling reusable parts conditioned on an abstract kinematic graph. Given…

q-bio.BM2025

Physically Valid Biomolecular Interaction Modeling with Gauss-Seidel Projection

Siyuan Chen, Minghao Guo, Caoliwen Wang +6

Biomolecular interaction modeling has been substantially advanced by foundation models, yet they often produce all-atom structures that violate basic steric feasibility. We address…

cs.LG2025

Post Hoc Regression Refinement via Pairwise Rankings

Kevin Tirta Wijaya, Michael Sun, Minghao Guo +3

Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy det…