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• A Rigorous Uncertainty-Aware Quantification Framework Is Essential for Reproducible and Replicable Machine Learning Workflows
  2023 · 12 citations
• Multi-Objective Latent Space Optimization of Generative Molecular Design Models
  2022 · 11 citations
• Multi-Objective Latent Space Optimization of Generative Molecular Design Models
  2022 · 11 citations
• Comparative Performance Evaluation of Large Language Models for Extracting Molecular Interactions and Pathway Knowledge
  2023 · 8 citations
• Optimal Decision Making in High-Throughput Virtual Screening Pipelines
  2021 · 3 citations
• Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design
  2024 · 2 citations
• Uncertainty-Aware Adaptation of Large Language Models for Protein-Protein Interaction Analysis
  2025 · 1 citations
• Enhancing Generative Molecular Design via Uncertainty-guided Fine-tuning of Variational Autoencoders
  2024 · 1 citations
• Cost-effective Reduced-Order Modeling via Bayesian Active Learning
  2025
• Neural Message Passing for Objective-Based Uncertainty Quantification and Optimal Experimental Design
  2022
• Pathway-Guided Optimization of Deep Generative Molecular Design Models for Cancer Therapy
  2024