Wei-Ying Ma
30 papers · 2016–2026 · 7 venues · across top CS/AI venues
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Achievements
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🗺️ Taxonomy Completionist (35) 🌍 Conference Polyglot · Silver 🏃 Academic Marathon · Half 🌉 Interdisciplinary Bridge · Silver 🐣 Hot Topic Early Bird
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Dynamic Duo
(14)
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Topic Evolution
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Grand Slam
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Keyword Champion
(5)
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Keyword Pioneer
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Renaissance Researcher
(5)
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Unstoppable · Bronze
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The Questioner
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Prolific Year · Productive
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Century Club · Bronze
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Trend Setter
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Keyword Collector
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Research topics
Keywords
contrastive learning
(6)
drug discovery
(5)
diffusion model
(5)
virtual screening
(5)
representation learning
(4)
self-supervised learning
(3)
bayesian flow network
(2)
protein-ligand binding
(2)
3d molecular structure
(2)
reinforcement learning
(2)
protein structure
(2)
molecule generation
(2)
molecular pretraining
(2)
equivariant modeling
(2)
generative model
(2)
molecular representation
(2)
3d molecule generation
(2)
protein sequence
(2)
conditional generation
(1)
energy minimization
(1)
Papers
Learning Protein–Ligand Binding in Hyperbolic Space
AAAI 2026
R3: End-to-End Reasoning-based Planning for Multi-step Retrosynthesis via Reinforcement Learning
ACL 2026
S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening
AAAI 2026
A Periodic Bayesian Flow for Material Generation
ICLR 2025
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
ICML 2025
Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
ICML 2025
Redefining the task of Bioactivity Prediction
ICLR 2025
Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs
ICLR 2025
RetroDiff: Retrosynthesis as Multi-stage Distribution Interpolation
AISTATS 2025
Smooth Interpolation for Improved Discrete Graph Generative Models
ICML 2025
Steering Protein Family Design through Profile Bayesian Flow
ICLR 2025
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
ICLR 2025
ESM All-Atom: Multi-Scale Protein Language Model for Unified Molecular Modeling
ICML 2024
Mol-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective
ICML 2024
MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space
ICML 2024
Protein-ligand binding representation learning from fine-grained interactions
ICLR 2024
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
ICML 2024
Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
ICLR 2024
Sliced Denoising: A Physics-Informed Molecular Pre-Training Method
ICLR 2024
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
ICML 2024
Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks
ICLR 2024
Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
ICML 2023
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
NeurIPS 2023
Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation
NeurIPS 2023
Fractional Denoising for 3D Molecular Pre-training
ICML 2023
Energy-Inspired Molecular Conformation Optimization
ICLR 2022
Controllable Person Image Synthesis With Attribute-Decomposed GAN
CVPR 2020
Unified Visual-Semantic Embeddings: Bridging Vision and Language With Structured Meaning Representations
CVPR 2019
Dual Learning for Machine Translation
NeurIPS 2016
How well do Computers Solve Math Word Problems? Large-Scale Dataset Construction and Evaluation
ACL 2016