Maksym Korablyov
- Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
2021/06/08 by Emmanuel Bengio, Bengio, Emmanuel, Moksh Jain +7 · 76 citations
Materials Science · Computer Science · #Machine Learning in Materials Science #Machine Learning and Algorithms #Topic Modeling
- SE(3)-Stochastic Flow Matching for Protein Backbone Generation
2023/10/03 by Avishek Joey Bose, Bose, Avishek Joey, Tara Akhound-Sadegh +19 · 3 voices · 45 citations
Biochemistry, Genetics and Molecular Biology · Engineering · #cs.LG #cs.AI
- DEUP: Direct Epistemic Uncertainty Prediction
2021/02/16 by Salem Lahlou, Moksh Jain, Lahlou, Salem +13 · 18 citations
Computer Science · Decision Sciences · #Machine Learning and Algorithms #Machine Learning and Data Classification #Advanced Bandit Algorithms Research
- Learning GFlowNets from partial episodes for improved convergence and stability
2022/09/26 by Kanika Madan, Madan, Kanika, Jarrid Rector-Brooks +15 · 21 citations
Computer Science · #Adversarial Robustness in Machine Learning #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Reinforcement Learning in Robotics
- Thompson sampling for improved exploration in GFlowNets
2023/06/30 by Jarrid Rector-Brooks, Kanika Madan, Rector-Brooks, Jarrid +13 · 3 citations
Computer Science · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning and Algorithms #Machine Learning and Data Classification #Reinforcement Learning in Robotics
- RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design
2020/11/25 by Chenghao Liu, Maksym Korablyov, Liu, Cheng-Hao +9 · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics