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Motivation: In the last few years a growing interest in biology has been shifting towards the problem of optimal information extraction from the huge amount of data generated via large scale and high-throughput techniques. One of the most…

Quantitative Methods · Quantitative Biology 2007-05-23 M. Leone , A. Pagnani

We refine the OrbNet model to accurately predict energy, forces, and other response properties for molecules using a graph neural-network architecture based on features from low-cost approximated quantum operators in the symmetry-adapted…

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

User response prediction makes a crucial contribution to the rapid development of online advertising system and recommendation system. The importance of learning feature interactions has been emphasized by many works. Many deep models are…

Information Retrieval · Computer Science 2019-04-30 Yi Yang , Baile Xu , Furao Shen , Jian Zhao

Studying the cellular architecture of the human cerebral cortex is critical for understanding brain organization and function. It requires investigating complex texture patterns in histological images, yet automatic methods that scale…

Neurons and Cognition · Quantitative Biology 2026-03-06 Christian Schiffer , Zeynep Boztoprak , Jan-Oliver Kropp , Julia Thönnißen , Katia Berr , Hannah Spitzer , Katrin Amunts , Timo Dickscheid

Background: Deep learning models have shown promise in diagnosing neurodevelopmental disorders (NDD) like ASD and ADHD. However, many models either use graph neural networks (GNN) to construct single-level brain functional networks (BFNs)…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Yueyang Li , Weiming Zeng , Wenhao Dong , Luhui Cai , Lei Wang , Hongyu Chen , Hongjie Yan , Lingbin Bian , Nizhuan Wang

Diseases involve complex processes and modifications to the cellular machinery. The gene expression profile of the affected cells contains characteristic patterns linked to a disease. Hence, biological knowledge pertaining to a disease can…

Quantitative Methods · Quantitative Biology 2020-04-13 Thomas Gaudelet , Noel Malod-Dognin , Jon Sanchez-Valle , Vera Pancaldi , Alfonso Valencia , Natasa Przulj

The olfactory system employs responses of an ensemble of odorant receptors (ORs) to sense molecules and to generate olfactory percepts. Here we hypothesized that ORs can be viewed as 3D spatial filters that extract molecular features…

Machine Learning · Computer Science 2024-12-13 Sergey Shuvaev , Khue Tran , Khristina Samoilova , Cyrille Mascart , Alexei Koulakov

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

Biomolecules · Quantitative Biology 2019-02-04 Mohammed AlQuraishi

Despite significant progress of deep learning in recent years, state-of-the-art semantic matching methods still rely on legacy features such as SIFT or HoG. We argue that the strong invariance properties that are key to the success of…

Computer Vision and Pattern Recognition · Computer Science 2017-04-18 David Novotny , Diane Larlus , Andrea Vedaldi

In this paper we developed a hierarchical network model, called Hierarchical Prediction Network (HPNet), to understand how spatiotemporal memories might be learned and encoded in the recurrent circuits in the visual cortical hierarchy for…

Neural and Evolutionary Computing · Computer Science 2021-10-04 Jielin Qiu , Ge Huang , Tai Sing Lee

Multi-omics data offer unprecedented insights into complex biological systems, yet their high dimensionality, sparsity, and intricate interactions pose significant analytical challenges. Network-based approaches have advanced multi-omics…

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

Cell detection is a fundamental task in computational pathology that can be used for extracting high-level medical information from whole-slide images. For accurate cell detection, pathologists often zoom out to understand the tissue-level…

Deep convolutional neural networks comprise a subclass of deep neural networks (DNN) with a constrained architecture that leverages the spatial and temporal structure of the domain they model. Convolutional networks achieve the best…

Machine Learning · Computer Science 2015-10-13 Izhar Wallach , Michael Dzamba , Abraham Heifets

In the last decade, network science has shed new light both on the structural (anatomical) and on the functional (correlations in the activity) connectivity among the different areas of the human brain. The analysis of brain networks has…

Physics and Society · Physics 2017-04-18 Federico Battiston , Vincenzo Nicosia , Mario Chavez , Vito Latora

We consider representation learning for proteins with 3D structures. We build 3D graphs based on protein structures and develop graph networks to learn their representations. Depending on the levels of details that we wish to capture,…

Machine Learning · Computer Science 2023-03-07 Limei Wang , Haoran Liu , Yi Liu , Jerry Kurtin , Shuiwang Ji

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Automatic integration of whole slide images (WSIs) and gene expression profiles has demonstrated substantial potential in precision clinical diagnosis and cancer progression studies. However, most existing studies focus on individual gene…

Computer Vision and Pattern Recognition · Computer Science 2026-01-14 Junzhuo Liu , Xuemei Du , Daniel Reisenbuchler , Ye Chen , Markus Eckstein , Christian Matek , Friedrich Feuerhake , Dorit Merhof

Classification of biological neuron types and networks poses challenges to the full understanding of the brain's organisation and functioning. In this paper, we develop a novel objective classification model of biological neuronal types and…

Neurons and Cognition · Quantitative Biology 2020-03-31 Michael Taynnan Barros , Harun Siljak , Peter Mullen , Constantinos Papadias , Jari Hyttinen , Nicola Marchetti