9 citations · 13 across the 25 of their papers we have counts for
6 papers · 1 filter
Two-Stage Pretraining for Molecular Property Prediction in the Wild
Kevin Tirta Wijaya, Minghao Guo, Michael Sun +3
Molecular deep learning models have achieved remarkable success in property prediction, but they often require large amounts of labeled data. The challenge is that, in real-world a…
Procedural Synthesis of Synthesizable Molecules
Michael Sun, Alston Lo, Minghao Guo +3
Designing synthetically accessible molecules and recommending analogs to unsynthesizable molecules are important problems for accelerating molecular discovery. We reconceptualize b…
LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery
Pingchuan Ma, Tsun-Hsuan Wang, Minghao Guo +5
Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter…
Physically Compatible 3D Object Modeling from a Single Image
Minghao Guo, Bohan Wang, Pingchuan Ma +6
We present a computational framework that transforms single images into 3D physical objects. The visual geometry of a physical object in an image is determined by three orthogonal…
TetSphere Splatting: Representing High-Quality Geometry with Lagrangian Volumetric Meshes
Minghao Guo, Bohan Wang, Kaiming He +1
We introduce TetSphere Splatting, a Lagrangian geometry representation designed for high-quality 3D shape modeling. TetSphere splatting leverages an underused yet powerful geometri…
Representing Molecules as Random Walks Over Interpretable Grammars
Michael Sun, Minghao Guo, Weize Yuan +10
Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate t…