Anna M. Hiszpanski

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Active Learning Enables Extrapolation in Molecular Generative Models.
CoRR
Evan R. Antoniuk, Peggy Li, Nathan Keilbart, Stephen Weitzner, Bhavya Kailkhura, Anna M. Hiszpanski
2025 J jnl
BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models.
CoRR
Evan R. Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Busra Demirci, Obadiah Smolenski, Tim Hsu, Anna M. Hiszpanski, Kenneth Chiu, Bhavya Kailkhura, Brian Van Essen
2024 J jnl
MaTableGPT: GPT-based Table Data Extractor from Materials Science Literature.
CoRR
Gyeong Hoon Yi, Jiwoo Choi, Hyeongyun Song, Olivia Miano, Jaewoong Choi, Kihoon Bang, Byungju Lee, Seok Su Sohn, David Buttler, Anna M. Hiszpanski, Sang Soo Han, Donghun Kim
2022 J jnl
Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions.
CoRR
Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura, Anna M. Hiszpanski
2022 J jnl
Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions.
J. Chem. Inf. Model.
Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura, Anna M. Hiszpanski
2021 J jnl
Predicting Energetics Materials' Crystalline Density from Chemical Structure by Machine Learning.
J. Chem. Inf. Model.
Phan Nguyen, Donald Loveland, Joanne Taery Kim, Piyush Karande, Anna M. Hiszpanski, Thomas Yong-Jin Han
2021 J jnl
Reliable Graph Neural Network Explanations Through Adversarial Training.
CoRR
Donald Loveland, Shusen Liu, Bhavya Kailkhura, Anna M. Hiszpanski, Yong Han
2020 J jnl
Actionable Attribution Maps for Scientific Machine Learning.
CoRR
Shusen Liu, Bhavya Kailkhura, Jize Zhang, Anna M. Hiszpanski, Emily Robertson, Donald Loveland, Thomas Yong-Jin Han
2020 J jnl
Automated Identification of Molecular Crystals' Packing Motifs.
J. Chem. Inf. Model.
Donald Loveland, Bhavya Kailkhura, Piyush Karande, Anna M. Hiszpanski, Thomas Yong-Jin Han
2020 J jnl
Explainable Deep Learning for Uncovering Actionable Scientific Insights for Materials Discovery and Design.
CoRR
Shusen Liu, Bhavya Kailkhura, Jize Zhang, Anna M. Hiszpanski, Emily Robertson, Donald Loveland, Thomas Yong-Jin Han
2020 J jnl
Nanomaterial Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge.
J. Chem. Inf. Model.
Anna M. Hiszpanski, Brian Gallagher, Karthik Chellappan, Peggy Li, Shusen Liu, Hyojin Kim, Jinkyu Han, Bhavya Kailkhura, David J. Buttler, Thomas Yong-Jin Han