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A simple linear algebra identity to optimize large-scale neural network quantum states
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 …
wave functions. These networks require a large number of variational parameters and are …
Protein language models learn evolutionary statistics of interacting sequence motifs
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 …
protein structure and function, and the degree to which these models fundamentally …
[HTML][HTML] T-cell receptor binding prediction: A machine learning revolution
Recent advancements in immune sequencing and experimental techniques are generating
extensive T cell receptor (TCR) repertoire data, enabling the development of models to …
extensive T cell receptor (TCR) repertoire data, enabling the development of models to …
Artificial Intelligence Learns Protein Prediction
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 …
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
Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences
contain information on structural and functional constraints and their evolutionary histories …
contain information on structural and functional constraints and their evolutionary histories …
Generative power of a protein language model trained on multiple sequence alignments
Computational models starting from large ensembles of evolutionarily related protein
sequences capture a representation of protein families and learn constraints associated to …
sequences capture a representation of protein families and learn constraints associated to …
A distributional simplicity bias in the learning dynamics of transformers
The remarkable capability of over-parameterised neural networks to generalise effectively
has been explained by invoking a``simplicity bias'': neural networks prevent overfitting by …
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
The dot product attention mechanism, originally designed for natural language processing
tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships …
tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships …
Protein language models trained on multiple sequence alignments learn phylogenetic relationships
Self-supervised neural language models with attention have recently been applied to
biological sequence data, advancing structure, function and mutational effect prediction …
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
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 …
of people worldwide. Although records of drug-resistant mutations (DRMs) have been …