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Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Neurons can code for multiple variables simultaneously and neuroscientists are often interested in classifying neurons based on their receptive field properties. Statistical models provide powerful tools for determining the factors…

Neurons and Cognition · Quantitative Biology 2022-10-28 Mehrad Sarmashghi , Shantanu P. Jadhav , Uri T. Eden

Rapid integration of large language models (LLMs) into societal applications has intensified concerns about their alignment with universal ethical principles, as their internal value representations remain opaque despite behavioral…

Computation and Language · Computer Science 2025-05-26 Yi Su , Jiayi Zhang , Shu Yang , Xinhai Wang , Lijie Hu , Di Wang

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Scientific names of organisms consist of a genus name and a species epithet, with the latter often reflecting aspects such as morphology, ecology, distribution, and cultural background. Traditionally, researchers have manually labeled…

Computation and Language · Computer Science 2026-01-13 Keito Inoshita , Kota Nojiri , Haruto Sugeno , Takumi Taga

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Large Language Models (LLMs) are composed of neurons that exhibit various behaviors and roles, which become increasingly diversified as models scale. Recent studies have revealed that not all neurons are active across different datasets,…

Computation and Language · Computer Science 2024-03-19 Haoyun Xu , Runzhe Zhan , Derek F. Wong , Lidia S. Chao

Biological nervous systems exhibit astonishing complexity .Neuroscientists aim to capture this com- plexity by modeling and simulation of biological processes. Often very comple xm odels are nec- essary to depict the processes, which makes…

Software Engineering · Computer Science 2016-06-10 Dimitri Plotnikov , Bernhard Rumpe , Inga Blundell , Tammo Ippen , Jochen Martin Eppler , Abgail Morrison

Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key…

Machine Learning · Computer Science 2026-02-25 Anna Hart , Chi Han , Jeonghwan Kim , Huimin Zhao , Heng Ji

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

Changing the behavior of large language models (LLMs) can be as straightforward as editing the Transformer's residual streams using appropriately constructed "steering vectors." These modifications to internal neural activations, a form of…

Computation and Language · Computer Science 2025-05-20 Jian-Qiao Zhu , Haijiang Yan , Thomas L. Griffiths

Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent advances in steering protein generative models (e.g.,…

Biomolecules · Quantitative Biology 2025-10-22 Jason Yang , Wenda Chu , Daniel Khalil , Raul Astudillo , Bruce J. Wittmann , Frances H. Arnold , Yisong Yue

Concerns regarding Large Language Models (LLMs) to memorize and disclose private information, particularly Personally Identifiable Information (PII), become prominent within the community. Many efforts have been made to mitigate the privacy…

Machine Learning · Computer Science 2024-05-21 Ruizhe Chen , Tianxiang Hu , Yang Feng , Zuozhu Liu

Multi-step reasoning improves the capabilities of large language models (LLMs) but increases the risk of errors propagating through intermediate steps. Process reward models (PRMs) mitigate this by scoring each step individually, enabling…

Computation and Language · Computer Science 2026-03-19 Corentin Royer , Debarun Bhattacharjya , Gaetano Rossiello , Andrea Giovannini , Mennatallah El-Assady

Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the…

Quantitative Methods · Quantitative Biology 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Deep neural networks based on layer-stacking architectures have historically suffered from poor inherent interpretability. Meanwhile, symbolic probabilistic models function with clear interpretability, but how to combine them with neural…

Computation and Language · Computer Science 2023-03-07 Xiang Hu , Xinyu Kong , Kewei Tu

Reparameterized diffusion models (RDMs) have recently matched autoregressive methods in protein generation, motivating their use for challenging tasks such as designing membrane proteins, which possess interleaved soluble and transmembrane…

Biomolecules · Quantitative Biology 2025-09-30 Shrey Goel , Peregrine M. Schray , Yinuo Zhang , Sophia Vincoff , Huong T. Kratochvil , Pranam Chatterjee

Large language models (LLMs) exhibit remarkable capabilities on not just language tasks, but also various tasks that are not linguistic in nature, such as logical reasoning and social inference. In the human brain, neuroscience has…

Computation and Language · Computer Science 2025-02-14 Badr AlKhamissi , Greta Tuckute , Antoine Bosselut , Martin Schrimpf

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…