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Protein structure determination has long been one of the primary challenges of structural biology, to which deep machine learning (ML)-based approaches have increasingly been applied. However, these ML models generally do not incorporate…

Biological Physics · Physics 2025-11-14 Tom Pan , Evan Dramko , Mitchell D. Miller , Anastasios Kyrillidis , George N. Phillips

Causal representation learning (CRL) has garnered increasing interest from the causal inference and artificial intelligence communities due to its potential to disentangle complex data-generating mechanism into causally interpretable latent…

Machine Learning · Statistics 2026-05-28 Hao Chen , Lin Liu , Yu Guang Wang

For the Convolutional Neural Networks (CNNs) applied in the intelligent diagnosis of gastric cancer, existing methods mostly focus on individual characteristics or network frameworks without a policy to depict the integral information.…

Computer Vision and Pattern Recognition · Computer Science 2020-10-20 Changhao Sun , Chen Li , Jinghua Zhang , Muhammad Rahaman , Shiliang Ai , Hao Chen , Frank Kulwa , Yixin Li , Xiaoyan Li , Tao Jiang

Kernel learning methods are among the most effective learning methods and have been vigorously studied in the past decades. However, when tackling with complicated tasks, classical kernel methods are not flexible or "rich" enough to…

Machine Learning · Computer Science 2019-10-08 Jiaxuan Xie , Fanghui Liu , Kaijie Wang , Xiaolin Huang

Constraining the many biological parameters that govern cortical dynamics is computationally and conceptually difficult because of the curse of dimensionality. This paper addresses these challenges by proposing (1) a novel data-informed…

Neurons and Cognition · Quantitative Biology 2021-12-30 Zhuo-Cheng Xiao , Kevin K. Lin , Lai-Sang Young

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

Many dynamical systems can be successfully analyzed by representing them as networks. Empirically measured networks and dynamic processes that take place in these situations show heterogeneous, non-Markovian, and intrinsically correlated…

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network…

Machine Learning · Computer Science 2022-08-25 Sidharth Malhotra , Robin Walters

Graphical models for structured domains are powerful tools, but the computational complexities of combinatorial prediction spaces can force restrictions on models, or require approximate inference in order to be tractable. Instead of…

Machine Learning · Computer Science 2013-09-27 Stephen Bach , Bert Huang , Ben London , Lise Getoor

Factorization machine (FM) is a prevalent approach to modeling pairwise (second-order) feature interactions when dealing with high-dimensional sparse data. However, on the one hand, FM fails to capture higher-order feature interactions…

Machine Learning · Computer Science 2025-02-24 Shu Wu , Zekun Li , Yunyue Su , Zeyu Cui , Xiaoyu Zhang , Liang Wang

We propose a method for gene expression based analysis of cancer phenotypes incorporating network biology knowledge through unsupervised construction of computational graphs. The structural construction of the computational graphs is driven…

Molecular Networks · Quantitative Biology 2020-10-02 Paul Scherer , Maja Trȩbacz , Nikola Simidjievski , Zohreh Shams , Helena Andres Terre , Pietro Liò , Mateja Jamnik

As a promising fashion for visual localization, scene coordinate regression (SCR) has seen tremendous progress in the past decade. Most recent methods usually adopt neural networks to learn the mapping from image pixels to 3D scene…

Computer Vision and Pattern Recognition · Computer Science 2023-10-12 Le Chen , Weirong Chen , Rui Wang , Marc Pollefeys

To improve the classification performance in the context of hyperspectral image processing, many works have been developed based on two common strategies, namely the spatial-spectral information integration and the utilization of neural…

Computer Vision and Pattern Recognition · Computer Science 2020-06-24 Yi Liang , Xin Zhao , Alan J. X. Guo , Fei Zhu

Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

Machine Learning · Computer Science 2026-05-13 Viet Thanh Duy Nguyen , John K. Johnstone , Truong-Son Hy

Mean Field inference is central to statistical physics. It has attracted much interest in the Computer Vision community to efficiently solve problems expressible in terms of large Conditional Random Fields. However, since it models the…

Computer Vision and Pattern Recognition · Computer Science 2016-11-24 Pierre Baqué , François Fleuret , Pascal Fua

Collaborative representation-based classification (CRC) has demonstrated remarkable progress in the past few years because of its closed-form analytical solutions. However, the existing CRC methods are incapable of processing the nonlinear…

Computer Vision and Pattern Recognition · Computer Science 2022-01-25 Li Chu , Rui Wang , Xiao-Jun Wu

Recent trends in image understanding have pushed for holistic scene understanding models that jointly reason about various tasks such as object detection, scene recognition, shape analysis, contextual reasoning, and local appearance based…

Computer Vision and Pattern Recognition · Computer Science 2014-06-17 Roozbeh Mottaghi , Sanja Fidler , Alan Yuille , Raquel Urtasun , Devi Parikh

People detection in single 2D images has improved greatly in recent years. However, comparatively little of this progress has percolated into multi-camera multi-people tracking algorithms, whose performance still degrades severely when…

Computer Vision and Pattern Recognition · Computer Science 2017-04-21 Pierre Baqué , François Fleuret , Pascal Fua

Classification is one of the core problems in Computer-Aided Diagnosis (CAD), targeting for early cancer detection using 3D medical imaging interpretation. High detection sensitivity with desirably low false positive (FP) rate is critical…

Computer Vision and Pattern Recognition · Computer Science 2014-05-20 Meizhu Liu , Le Lu , Xiaojing Ye , Shipeng Yu

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein…

Biomolecules · Quantitative Biology 2025-12-19 Eoin Quinn , Marco Carobene , Jean Quentin , Sebastien Boyer , Miguel Arbesú , Oliver Bent
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