83 citations · 128 across the 5 of their papers we have counts for
5 papers
Machine learning assisted phase and size-controlled synthesis of iron oxides
Juejing Liu, Zimeng Zhang, Xiaoxu Li +15
The controllable synthesis of iron oxides particles is a critical issue for materials science, energy storage, biomedical applications, environmental science, and earth science. Ho…
Outlier-Based Domain of Applicability Identification for Materials Property Prediction Models
Gihan Panapitiya, Emily Saldanha
Machine learning models have been widely applied for material property prediction. However, practical application of these models can be hindered by a lack of information about how…
Unsupervised Keyphrase Extraction via Interpretable Neural Networks
Rishabh Joshi, Vidhisha Balachandran, Emily Saldanha +3
Keyphrase extraction aims at automatically extracting a list of "important" phrases representing the key concepts in a document. Prior approaches for unsupervised keyphrase extract…
VAINE: Visualization and AI for Natural Experiments
Grace Guo, Maria Glenski, ZhuanYi Shaw +4
Natural experiments are observational studies where the assignment of treatment conditions to different populations occurs by chance "in the wild". Researchers from fields such as…
Predicting Aqueous Solubility of Organic Molecules Using Deep Learning Models with Varied Molecular Representations
Gihan Panapitiya, Michael Girard, Aaron Hollas +3
Determining the aqueous solubility of molecules is a vital step in many pharmaceutical, environmental, and energy storage applications. Despite efforts made over decades, there are…