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Scientists often use observational time series data to study complex natural processes, but regression analyses often assume simplistic dynamics. Recent advances in deep learning have yielded startling improvements to the performance of…

Machine Learning · Computer Science 2023-04-21 Cory Shain , William Schuler

The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

Deep learning is an advanced technology that relies on large-scale data and complex models for feature extraction and pattern recognition. It has been widely applied across various fields, including computer vision, natural language…

Genomics · Quantitative Biology 2024-12-24 Yindan Luo , Jiaxin Cai

Although n-gram language models (LMs) have been outperformed by the state-of-the-art neural LMs, they are still widely used in speech recognition due to its high efficiency in inference. In this paper, we demonstrate that n-gram LM can be…

Computation and Language · Computer Science 2019-12-03 Yiren Wang , Hongzhao Huang , Zhe Liu , Yutong Pang , Yongqiang Wang , ChengXiang Zhai , Fuchun Peng

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

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

Protein language models (PLMs) encode rich biological information, yet their internal neuron representations are poorly understood. We introduce the first automated framework for labeling every neuron in a PLM with biologically grounded…

Machine Learning · Computer Science 2025-07-10 Arjun Banerjee , David Martinez , Camille Dang , Ethan Tam

Biological sequence comparison is a key step in inferring the relatedness of various organisms and the functional similarity of their components. Thanks to the Next Generation Sequencing efforts, an abundance of sequence data is now…

Machine Learning · Computer Science 2016-09-13 Dhananjay Kimothi , Akshay Soni , Pravesh Biyani , James M. Hogan

Sequence labeling architectures use word embeddings for capturing similarity, but suffer when handling previously unseen or rare words. We investigate character-level extensions to such models and propose a novel architecture for combining…

Computation and Language · Computer Science 2016-11-15 Marek Rei , Gamal K. O. Crichton , Sampo Pyysalo

Sequence alignment is a memory bound computation whose performance in modern systems is limited by the memory bandwidth bottleneck. Processing-in-memory architectures alleviate this bottleneck by providing the memory with computing…

Hardware Architecture · Computer Science 2023-03-28 Safaa Diab , Amir Nassereldine , Mohammed Alser , Juan Gómez-Luna , Onur Mutlu , Izzat El Hajj

Proteins perform essential biological functions, and accurate classification of their sequences is critical for understanding structure-function relationships, enzyme mechanisms, and molecular interactions. This study presents a deep…

Quantitative Methods · Quantitative Biology 2025-11-19 Pratik Chakraborty , Aryan Bhargava

Predicting ATP-Protein Binding sites in genes is of great significance in the field of Biology and Medicine. The majority of research in this field has been conducted through time- and resource-intensive 'wet experiments' in laboratories.…

Biomolecules · Quantitative Biology 2024-02-06 Shreyas V , Swati Agarwal

Advanced automated AI techniques allow us to classify protein sequences and discern their biological families and functions. Conventional approaches for classifying these protein families often focus on extracting N-Gram features from the…

Quantitative Methods · Quantitative Biology 2024-10-24 Bahar Ali , Anwar Shah , Malik Niaz , Musadaq Mansoord , Sami Ullah , Muhammad Adnan

Natural Language Processing (NLP) has transformed various fields beyond linguistics by applying techniques originally developed for human language to the analysis of biological sequences. This review explores the application of NLP methods…

Computation and Language · Computer Science 2025-06-04 Ella Rannon , David Burstein

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Large language models (LLMs) have garnered significant attention for their superior performance in many knowledge-driven applications on the world wide web.These models are designed to train hundreds of millions or more parameters on large…

Computation and Language · Computer Science 2025-04-09 Bingchen Liu , Yuanyuan Fang , Naixing Xu , Shihao Hou , Xin Li , Qian Li

While protein language models (PLMs) are one of the most promising avenues of research for future de novo protein design, the way in which they transform sequences to hidden representations, as well as the information encoded in such…

Machine Learning · Computer Science 2026-05-29 Kosio Beshkov , Anders Malthe-Sørenssen

In this study, we expand upon the FLIP benchmark-designed for evaluating protein fitness prediction models in small, specialized prediction tasks-by assessing the performance of state-of-the-art large protein language models, including…

Machine Learning · Computer Science 2025-01-31 Manuel F. Mollon , Joaquin Gonzalez-Rodriguez , Alicia Lozano-Diez , Daniel Ramos , Doroteo T. Toledano

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

Machine Learning · Computer Science 2024-12-17 Nuowei Liu , Changzhi Sun , Tao Ji , Junfeng Tian , Jianxin Tang , Yuanbin Wu , Man Lan

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang