PARyOpt: A software for Parallel Asynchronous Remote Bayesian Optimization. - Balaji Sesha Sarath Pokuri; Alec Lofquist; Chad M. Risko; Baskar Ganapathysubramanian (CoRR, 2018)

Interpretable deep learning for guided structure-property explorations in photovoltaics. - Balaji Sesha Sarath Pokuri; Sambuddha Ghosal; Apurva Kokate; Baskar Ganapathysubramanian; Soumik Sarkar (CoRR, 2018)

Physics-aware Deep Generative Models for Creating Synthetic Microstructures. - Rahul Singh; Viraj Shah; Balaji Sesha Sarath Pokuri; Soumik Sarkar; Baskar Ganapathysubramanian; Chinmay Hegde (CoRR, 2018)

Encoding Invariances in Deep Generative Models. - Viraj Shah; Ameya Joshi; Sambuddha Ghosal; Balaji Sesha Sarath Pokuri; Soumik Sarkar; Baskar Ganapathysubramanian; Chinmay Hegde (CoRR, 2019)

InvNet: Encoding Geometric and Statistical Invariances in Deep Generative Models. - Ameya Joshi; Minsu Cho; Viraj Shah; Balaji Sesha Sarath Pokuri; Soumik Sarkar; Baskar Ganapathysubramanian; Chinmay Hegde (AAAI, 2020)

Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach. - Shi Li; Balaji Sesha Sarath Pokuri; Sean M. Ryno; Asare Nkansah; Camron De'vine; Baskar Ganapathysubramanian; Chad M. Risko (J. Chem. Inf. Model., 2020)

Fast inverse design of microstructures via generative invariance networks. - Xian Yeow Lee; Joshua R. Waite; Chih-Hsuan Yang; Balaji Sesha Sarath Pokuri; Ameya Joshi; Aditya Balu; Chinmay Hegde; Baskar Ganapathysubramanian; Soumik Sarkar (Nat. Comput. Sci., 2021)

Algorithm 1025: PARyOpt: A Software for Parallel Asynchronous Remote Bayesian Optimization. - Balaji Sesha Sarath Pokuri; Alec Lofquist; Chad Risko; Baskar Ganapathysubramanian (ACM Trans. Math. Softw., 2022)