Publications

1678 results for Machine Learning

Topology-driven pre-training for robust molecular property prediction models
- - Aldo Guzmán-Sáenz
  - Sanjoy Dey
  - et al.
- 2023
- ACS Fall 2023
Talk
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Talk
Creating labs that learn through automated data management
- - Amol Thakkar
  - Andrea Giovannini
  - et al.
- 2023
- ACS Fall 2023
Talk
PatCID: Large-scale chemical-structure database from images in patent documents
- - Ingmar Meijer
  - Valery Weber
  - et al.
- 2023
- ACS Fall 2023
Talk
Machine Guided Discovery of Novel Carbon Capture Solvents
- - Theodore Van Kessel
  - Flaviu Cipcigan
  - et al.
- 2023
- ACS Fall 2023
Talk
Accelerated Electrolyte Discovery using Data Driven Approach
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Poster
Standardizing chemical compounds with language models
- - Miruna T Cretu
  - Alessandra Toniato
  - et al.
- 2023
- Machine Learning: Science and Tech.
Paper
Generative Perturbation Analysis for Probabilistic Black-Box Anomaly Attribution
- - Tsuyoshi Idé
  - Naoki Abe
- 2023
- KDD 2023
Conference paper
Networked Time Series Imputation via Position-aware Graph Enhanced Variational Autoencoders
- - Dingsu Wang
  - Yuchen Yan
  - et al.
- 2023
- KDD 2023
Conference paper
Hierarchical Proxy Modeling for Improved HPO in Time Series Forecasting
- - Arindam Jati
  - Vijay Ekambaram
  - et al.
- 2023
- KDD 2023
Conference paper