activity
20192026
most citedLearning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning

52 citations · 65 across the 11 of their papers we have counts for

collaborators

11 papers

cs.LG2026

PGFS++: Molecular Property Improvement under Synthesis and Diversity Constraints

Boqiao Zhang, Godbless James, Sai Krishna Gottipati +1

Improving molecular properties, such as drug-likeness or binding affinity, is a recurring task in early-stage drug discovery. However, molecules optimized in an unconstrained chemi…

cs.AI2025

A Systematic Approach to Design Real-World Human-in-the-Loop Deep Reinforcement Learning: Salient Features, Challenges and Trade-offs

Jalal Arabneydi, Saiful Islam, Srijita Das +7

With the growing popularity of deep reinforcement learning (DRL), human-in-the-loop (HITL) approach has the potential to revolutionize the way we approach decision-making problems…

q-bio.BM2024★ 5 cited

Generative Active Learning for the Search of Small-molecule Protein Binders

Maksym Korablyov, Cheng-Hao Liu, Moksh Jain +31

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a si…

cs.CL2024

GLIDE-RL: Grounded Language Instruction through DEmonstration in RL

Chaitanya Kharyal, Sai Krishna Gottipati, Tanmay Kumar Sinha +2

One of the final frontiers in the development of complex human - AI collaborative systems is the ability of AI agents to comprehend the natural language and perform tasks according…

cs.AI2023★ 1 cited

Human-AI Collaboration in Real-World Complex Environment with Reinforcement Learning

Md Saiful Islam, Srijita Das, Sai Krishna Gottipati +6

Recent advances in reinforcement learning (RL) and Human-in-the-Loop (HitL) learning have made human-AI collaboration easier for humans to team with AI agents. Leveraging human exp…

cs.AI2023

Curriculum Learning for Cooperation in Multi-Agent Reinforcement Learning

Rupali Bhati, Sai Krishna Gottipati, Clodéric Mars +1

While there has been significant progress in curriculum learning and continuous learning for training agents to generalize across a wide variety of environments in the context of s…

cs.AI2023★ 1 cited

Human-Machine Teaming for UAVs: An Experimentation Platform

Laila El Moujtahid, Sai Krishna Gottipati, Clodéric Mars +1

Full automation is often not achievable or desirable in critical systems with high-stakes decisions. Instead, human-AI teams can achieve better results. To research, develop, evalu…

cs.AI2021

Cogment: Open Source Framework For Distributed Multi-actor Training, Deployment & Operations

AI Redefined, Sai Krishna Gottipati, Sagar Kurandwad +3

Involving humans directly for the benefit of AI agents' training is getting traction thanks to several advances in reinforcement learning and human-in-the-loop learning. Humans can…

cs.LG2020★ 6 cited

Maximum Reward Formulation In Reinforcement Learning

Sai Krishna Gottipati, Yashaswi Pathak, Rohan Nuttall +6

Reinforcement learning (RL) algorithms typically deal with maximizing the expected cumulative return (discounted or undiscounted, finite or infinite horizon). However, several cruc…

cs.LG2020★ 52 cited

Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning

Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu +9

Over the last decade, there has been significant progress in the field of machine learning for de novo drug design, particularly in deep generative models. However, current generat…

cs.RO2019

Deep Active Localization

Sai Krishna, Keehong Seo, Dhaivat Bhatt +3

Active localization is the problem of generating robot actions that allow it to maximally disambiguate its pose within a reference map. Traditional approaches to this use an inform…