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Biological foundation models have shown strong performance in single-cell representation learning by applying transformer architectures directly to gene-expression matrices. However, these approaches predominantly operate in static settings…

Machine Learning · Computer Science 2026-05-28 Manuel Dileo , Andrea Sottoriva

Molecular activity prediction is critical in drug design. Machine learning techniques such as kernel methods and random forests have been successful for this task. These models require fixed-size feature vectors as input while the molecules…

Machine Learning · Computer Science 2018-01-30 Trang Pham , Truyen Tran , Svetha Venkatesh

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation…

Machine Learning · Computer Science 2023-10-10 Qiying Yu , Yudi Zhang , Yuyan Ni , Shikun Feng , Yanyan Lan , Hao Zhou , Jingjing Liu

Genetic regulatory networks with adaptive responses are widely studied in biology. Usually, models consisting only of a few nodes have been considered. They present one input receptor for activation and one output node where the adaptive…

Molecular Networks · Quantitative Biology 2016-07-20 Pablo Kaluza , Masayo Inoue

Gene expression is a cellular process that plays a fundamental role in human phenotypical variations and diseases. Despite advances of deep learning models for gene expression prediction, recent benchmarks have revealed their inability to…

Cell Behavior · Quantitative Biology 2024-10-04 Edouardo Honig , Huixin Zhan , Ying Nian Wu , Zijun Frank Zhang

Large-scale self-supervised models have recently revolutionized our ability to perform a variety of tasks within the vision and language domains. However, using such models for autonomous systems is challenging because of safety…

Robotics · Computer Science 2023-03-09 Yue Meng , Sai Vemprala , Rogerio Bonatti , Chuchu Fan , Ashish Kapoor

Translating the vast data generated by genomic platforms into reliable predictions of clinical outcomes remains a critical challenge in realizing the promise of genomic medicine largely due to small number of independent samples. In this…

Quantitative Methods · Quantitative Biology 2019-04-04 Safoora Yousefi , Amirreza Shaban , Mohamed Amgad , Ramraj Chandradevan , Lee A. D. Cooper

Transcription factors are proteins that regulate the expression of genes by binding to specific genomic regions known as Transcription Factor Binding Sites (TFBSs), typically located in the promoter regions of those genes. Accurate…

Machine Learning · Computer Science 2025-02-04 Nimisha Ghosh , Pratik Dutta , Daniele Santoni

We study the problem of optimizing biological sequences, e.g., proteins, DNA, and RNA, to maximize a black-box score function that is only evaluated in an offline dataset. We propose a novel solution, bootstrapped training of…

Quantitative Methods · Quantitative Biology 2024-03-26 Minsu Kim , Federico Berto , Sungsoo Ahn , Jinkyoo Park

Labeling training datasets has become a key barrier to building medical machine learning models. One strategy is to generate training labels programmatically, for example by applying natural language processing pipelines to text reports…

In several applications, including in synthetic biology, one often has input/output data on a system composed of many modules, and although the modules' input/output functions and signals may be unknown, knowledge of the composition…

Machine Learning · Computer Science 2026-04-28 Jichi Wang , Eduardo D. Sontag , Domitilla Del Vecchio

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

Human state detection and behavior prediction have seen significant advancements with the rise of machine learning and multimodal sensing technologies. However, predicting prosocial behavior intentions in mobility scenarios, such as helping…

Machine Learning · Computer Science 2025-07-14 Abinay Reddy Naini , Zhaobo K. Zheng , Teruhisa Misu , Kumar Akash

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

As deep reinforcement learning (RL) showcases its strengths in networking and systems, its pitfalls also come to the public's attention--when trained to handle a wide range of network workloads and previously unseen deployment environments,…

Networking and Internet Architecture · Computer Science 2022-09-09 Zhengxu Xia , Yajie Zhou , Francis Y. Yan , Junchen Jiang

Large-scale "pre-train and prompt learning" paradigms have demonstrated remarkable adaptability, enabling broad applications across diverse domains such as question answering, image recognition, and multimodal retrieval. This approach fully…

While hardware-software co-design has significantly improved the efficiency of neural network inference, modeling the training phase remains a critical yet underexplored challenge. Training workloads impose distinct constraints,…

Machine Learning · Computer Science 2026-03-17 Jérémy Morlier , Robin Geens , Stef Cuyckens , Arne Symons , Marian Verhelst , Vincent Gripon , Mathieu Léonardon

Our aim is to predict how often genic and non-genic promoters fire within a cell. We first review a parsimonious pan-genomic model for genome organization and gene regulation, where transcription rate is determined by proximity in 3D space…

Biological Physics · Physics 2024-12-04 Giuseppe Negro , Massimiliano Semeraro , Perter R Cook , Davide Marenduzzo

We present a foundation modeling framework that leverages deep learning to uncover latent genetic signatures across the hematopoietic hierarchy. Our approach trains a fully connected autoencoder on multipotent progenitor cells, reducing…

Machine Learning · Computer Science 2025-03-27 Gabriel Bo , Justin Gu , Christopher Sun

Each human genome is a 3 billion base pair set of encoding instructions. Decoding the genome using deep learning fundamentally differs from most tasks, as we do not know the full structure of the data and therefore cannot design…

Machine Learning · Computer Science 2016-05-24 Laura Deming , Sasha Targ , Nate Sauder , Diogo Almeida , Chun Jimmie Ye