Audacity of huge: overcoming challenges of data scarcity and data
quality for machine learning in computational materials discovery

Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery

2 November 2021

Heather J. Kulik

Papers citing "Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery"

8 / 8 papers shown

Title
Confidence Adjusted Surprise Measure for Active Resourceful Trials (CA-SMART): A Data-driven Active Learning Framework for Accelerating Material Discovery under Resource Constraints Ahmed Shoyeb Raihan Zhichao Liu T. Bhuiyan I. Imtiaz Ahmed 41 0 0 27 Mar 2025
Establishing Deep InfoMax as an effective self-supervised learning methodology in materials informatics Michael Moran Vladimir V. Gusev M. Gaultois Dmytro Antypov M. Rosseinsky AI4CE 25 0 0 30 Jun 2024
Unsupervised Keypoints from Pretrained Diffusion Models Eric Hedlin Gopal Sharma Shweta Mahajan Xingzhe He Hossam N. Isack Abhishek Kar Helge Rhodin Andrea Tagliasacchi Kwang Moo Yi 16 7 0 29 Nov 2023
Self-Supervised Learning for Data Scarcity in a Fatigue Damage Prognostic Problem A. Akrim C. Gogu R. Vingerhoeds M. Salaün AI4CE 24 23 0 20 Jan 2023
A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models Aditya Nandy Shuwen Yue Changhwan Oh Chenru Duan Gianmarco G. Terrones Yongchul-Grego Chung Heather J. Kulik AI4CE 14 39 0 25 Oct 2022
Self-Validated Physics-Embedding Network: A General Framework for Inverse Modelling Ruiyuan Kang D. Kyritsis P. Liatsis AI4CE PINN 10 5 0 12 Oct 2022
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations T. Xie Ha-Kyung Kwon D. Schweigert Sheng Gong A. France-Lanord ... Michael Puzon Chris Fajardo Will Powelson Y. Shao-horn Jeffrey C. Grossman 16 3 0 02 Aug 2022
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 149 446 0 16 Sep 2019