Vishu Gupta

Princeton University — United States

Materials Science · Physical Sciences

13h-index774citations60works8.22yr avg
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Research Topics

Machine Learning in Materials Science(22), X-ray Diffraction in Crystallography(11), Computational Drug Discovery Methods(7), Distributed systems and fault tolerance(5), Hydrogen embrittlement and corrosion behaviors in metals(4)

Publications60 total

Comprehensive Curation and Harmonization of Small-Molecule MS/MS Libraries in Spectraverse
Analytical Chemistry·2026Open Access
Predicting Lattice Parameters from Atomic-Scale Images of Two Dimensional Materials Using Deep Learning
The Journal of Physical Chemistry C·2025
Comprehensive curation and harmonization of small molecule MS/MS libraries in Spectraverse
2025
Developing and validating machine learning models to predict next-day extubation
Scientific Reports·2025· 2 citedOpen Access
An AI framework for time series microstructure prediction from processing parameters
Scientific Reports·2025· 1 citedOpen Access
Combining Transfer Learning and Representation Learning to Improve Predictive Analytics on Small Materials Data
2024· 1 cited
Deep Learning Based Inverse Modeling for Materials Design: From Microstructure and Property to Processing
2024· 1 cited
Hybrid-LLM-GNN: integrating large language models and graph neural networks for enhanced materials property prediction
Digital Discovery·2024· 11 citedOpen Access
Tackling the Nonlinearity Problem in Inverse Modeling: Mixture Density Network-Backed Quantized AutoEncoder
2024
Enhancing Deep Neural Network Classification Performance Through Novel Weight Initialization: t-SNE Supported Walsh Matrix Approach
2024
Author response for "Hybrid-LLM-GNN: Integrating Large Language Models and Graph Neural Networks for Enhanced Materials Property Prediction"
2024· 1 cited
Language model-guided anticipation and discovery of unknown metabolites
2024· 7 citedOpen Access
XElemNet: towards explainable AI for deep neural networks in materials science
Scientific Reports·2024· 12 citedOpen Access
Developing and validating a machine learning model to predict successful next-day extubation in the ICU
2024· 2 citedOpen Access
Machine Learning-Enabled Image Classification for Automated Electron Microscopy
Microscopy and Microanalysis·2024· 4 citedOpen Access
JARVIS-Leaderboard: a large scale benchmark of materials design methods
npj Computational Materials·2024· 38 citedOpen Access
Assessment of Efficacy and Safety of Dr.Ortho Capsules in Managing Musculoskeletal Disorders: A Phase IV Post-Marketing Surveillance Study
International Journal of Ayurveda and Pharma Research·2024Open Access
Simultaneously improving accuracy and computational cost under parametric constraints in materials property prediction tasks
Journal of Cheminformatics·2024· 6 citedOpen Access
Structure-aware graph neural network based deep transfer learning framework for enhanced predictive analytics on diverse materials datasets
npj Computational Materials·2024· 69 citedOpen Access
A Deep Learning Framework for Time-Series Processing-Microstructure-Property Prediction
2023· 3 cited
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Frequent Co-authors

Ankit Agrawal(29), Wei‐keng Liao(24), Alok Choudhary(24), Yuwei Mao(11), Kamal Choudhary(9), Muhammed Nur Talha Kilic(8), Francesca Tavazza(6), Youjia Li(6), Daniel Wines(5), Mahmudul Hasan(4), Pınar Acar(4), Alec Peltekian(4), Vijay Kimtata(4), Lakhbir Singh(4), Carelyn E. Campbell(3), HariGovind V. Ramasamy(3), William H. Sanders(3), Herbert Hess(3), Kewei Wang(3), Alok Choudhary(3)