4 citations · 5 across the 5 of their papers we have counts for
6 papers
Comprehensive Workflow for Uncertainty-Aware Ionic Liquid Solvent Discovery
Alexander Lobo, Urvi Awasthi, Leonid Zhukov
Designing synthesizable materials with targeted properties remains one of the central objectives in materials sciences. Ionic liquids (ILs) are well suited to this goal due to thei…
Hierarchy-Guided Topology Latent Flow for Molecular Graph Generation
Urvi Awasthi, Alexander Arjun Lobo, Leonid Zhukov
Generating chemically valid 3D molecules is hindered by discrete bond topology: small local bond errors can cause global failures (valence violations, disconnections, implausible r…
Property-Guided Molecular Generation and Optimization via Latent Flows
Alexander Arjun Lobo, Urvi Awasthi, Leonid Zhukov
Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. Whil…
AI-Guided Discovery of Novel Ionic Liquid Solvents for Industrial CO2 Capture
Davide Garbelotto, Alexander Lobo, Urvi Awasthi +8
We present an AI-driven approach to discover compounds with optimal properties for CO2 capture from flue gas-refinery emissions' primary source. Focusing on ionic liquids (ILs) as…
TEDDY: A Family Of Foundation Models For Understanding Single Cell Biology
Alexis Chevalier, Soumya Ghosh, Urvi Awasthi +15
Understanding the biological mechanisms of disease is crucial for medicine, and in particular, for drug discovery. AI-powered analysis of genome-scale biological data holds great p…
Controllable Mixed-Initiative Dialogue Generation through Prompting
Maximillian Chen, Xiao Yu, Weiyan Shi +2
Mixed-initiative dialogue tasks involve repeated exchanges of information and conversational control. Conversational agents gain control by generating responses that follow particu…