activity
20232025
most citedGenerative Active Learning for the Search of Small-molecule Protein Binders

5 citations · 10 across the 11 of their papers we have counts for

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Showing 2024Show all

6 papers · 1 filter

cs.LG2024

Right Now, Wrong Then: Non-Stationary Direct Preference Optimization under Preference Drift

Seongho Son, William Bankes, Sayak Ray Chowdhury +2

Current Large Language Model (LLM) preference optimization algorithms do not account for temporal preference drift, which can lead to severe misalignment. To address this limitatio…

cs.LG2024★ 2 cited

AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction

Chunan Liu, Lilian Denzler, Yihong Chen +2

Epitope identification is vital for antibody design yet challenging due to the inherent variability in antibodies. While many deep learning methods have been developed for general…

cs.LG2024

Analyzing the Generalization and Reliability of Steering Vectors

Daniel Tan, David Chanin, Aengus Lynch +4

Steering vectors (SVs) have been proposed as an effective approach to adjust language model behaviour at inference time by intervening on intermediate model activations. They have…

q-bio.BM2024★ 5 cited

Generative Active Learning for the Search of Small-molecule Protein Binders

Maksym Korablyov, Cheng-Hao Liu, Moksh Jain +31

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a si…

cs.LG2024

Can a Confident Prior Replace a Cold Posterior?

Martin Marek, Brooks Paige, Pavel Izmailov

Benchmark datasets used for image classification tend to have very low levels of label noise. When Bayesian neural networks are trained on these datasets, they often underfit, misr…

stat.ML2024

Diffusive Gibbs Sampling

Wenlin Chen, Mingtian Zhang, Brooks Paige +2

The inadequate mixing of conventional Markov Chain Monte Carlo (MCMC) methods for multi-modal distributions presents a significant challenge in practical applications such as Bayes…