Publications

1479 results for Machine Learning

Harnessing negative data for enhancing model learning in chemistry
- - Alessandra Toniato
  - Mara Graziani
  - et al.
- 2024
- ACS Fall 2024
Atomistic simulations and machine learning approaches to investigate bromoform interactions with cell membranes: Implications for seaweed-based methane emission reduction
- - Jie Shi
  - Kevin Cheng
  - et al.
- 2024
- ACS Fall 2024
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2024
- ACS Fall 2024
PFACTS: Faster solutions for forever chemicals
- - Brandi Ransom
  - Dan Sanders
  - et al.
- 2024
- ACS Fall 2024
AI-Assisted Raman Spectral Peak Label Assignment
- 2024
- ACS Fall 2024
Lifecycle materials design tool
- - Brandi Ransom
  - Benjamin Wunsch
  - et al.
- 2024
- ACS Fall 2024
Analysis of docking for binding affinity prediction
- - Raúl Fernández Díaz
  - Denis Shields
  - et al.
- 2024
- ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2024
- ACS Fall 2024
A Deep Dive into the Trade-Offs of Parameter-Efficient Preference Alignment Techniques
- - Megh Thakkar
  - Quentin Fournier
  - et al.
- 2024
- ACL 2024
Duwak: Dual Watermarks in Large Language Models
- - Chaoyi Zhu
  - Jeroen Galjaard
  - et al.
- 2024
- ACL 2024