A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- Eduardo Almeida Soares
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
Workshop paper
Publications
1650 results for Machine Learning
Symbolic Learning for Material Discovery
- Daniel Cunnington
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
Workshop paperIDMU: Impact Driven Machine Unlearning
- Shubhi Asthana
- Bing Zhang
- et al.
- 2023
- NeurIPS 2023
Workshop paperUsing Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
Workshop paperCost-Aware Counterfactuals for Black Box Explanations
- Natalia Martinez Gil
- Kanthi Sarpatwar
- et al.
- 2023
- NeurIPS 2023
Workshop paperLearning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 2023
- NeurIPS 2023
Workshop paperMHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
Workshop paperEstimating Fréchet bounds for validating programmatic weak supervision
- Felipe Maia Polo
- Mikhail Yurochkin
- et al.
- 2023
- NeurIPS 2023
Workshop paperCausal Markov Blanket Representation Learning for Out-of-distribution Generalization
- Naiyu Yin
- Hanjing Wang
- et al.
- 2023
- NeurIPS 2023
Workshop paperExplaining knock-on effects of bias mitigation
- Svetoslav Nizhnichenkov
- Rahul Nair
- et al.
- 2023
- NeurIPS 2023
Workshop paper