A simple linear algebra identity to optimize large-scale neural network quantum states

R Rende, LL Viteritti, L Bardone, F Becca… - Communications …, 2024 - nature.com
Neural-network architectures have been increasingly used to represent quantum many-body
wave functions. These networks require a large number of variational parameters and are …

Protein language models learn evolutionary statistics of interacting sequence motifs

Z Zhang, HK Wayment-Steele, G Brixi, H Wang… - Proceedings of the …, 2024 - pnas.org
Protein language models (pLMs) have emerged as potent tools for predicting and designing
protein structure and function, and the degree to which these models fundamentally …

[HTML][HTML] T-cell receptor binding prediction: A machine learning revolution

A Weber, A Pélissier, MR Martínez - ImmunoInformatics, 2024 - Elsevier
Recent advancements in immune sequencing and experimental techniques are generating
extensive T cell receptor (TCR) repertoire data, enabling the development of models to …

Artificial Intelligence Learns Protein Prediction

M Heinzinger, B Rost - Cold Spring Harbor Perspectives …, 2024 - cshperspectives.cshlp.org
From AlphaGO over StableDiffusion to ChatGPT, the recent decade of exponential advances
in artificial intelligence (AI) has been altering life. In parallel, advances in computational …

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

S Petti, N Bhattacharya, R Rao, J Dauparas… - …, 2023 - academic.oup.com
Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences
contain information on structural and functional constraints and their evolutionary histories …

Generative power of a protein language model trained on multiple sequence alignments

D Sgarbossa, U Lupo, AF Bitbol - Elife, 2023 - elifesciences.org
Computational models starting from large ensembles of evolutionarily related protein
sequences capture a representation of protein families and learn constraints associated to …

A distributional simplicity bias in the learning dynamics of transformers

R Rende, F Gerace, A Laio, S Goldt - arxiv preprint arxiv:2410.19637, 2024 - arxiv.org
The remarkable capability of over-parameterised neural networks to generalise effectively
has been explained by invoking a``simplicity bias'': neural networks prevent overfitting by …

Are queries and keys always relevant? A case study on transformer wave functions

R Rende, LL Viteritti - Machine Learning: Science and …, 2025 - iopscience.iop.org
The dot product attention mechanism, originally designed for natural language processing
tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships …

Protein language models trained on multiple sequence alignments learn phylogenetic relationships

U Lupo, D Sgarbossa, AF Bitbol - Nature Communications, 2022 - nature.com
Self-supervised neural language models with attention have recently been applied to
biological sequence data, advancing structure, function and mutational effect prediction …

Kinetic coevolutionary models predict the temporal emergence of HIV-1 resistance mutations under drug selection pressure

A Biswas, I Choudhuri, E Arnold, D Lyumkis… - Proceedings of the …, 2024 - pnas.org
Drug resistance in HIV type 1 (HIV-1) is a pervasive problem that affects the lives of millions
of people worldwide. Although records of drug-resistant mutations (DRMs) have been …