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AlphaFold3 introduces a diffusion-based architecture that elevates protein structure prediction to all-atom resolution with improved accuracy. This state-of-the-art performance has established AlphaFold3 as a foundation model for diverse…

Machine Learning · Computer Science 2026-05-19 Zhe Zhang , Yuanning Feng , Yuxuan Song , Keyue Qiu , Hao Zhou , Wei-Ying Ma

Deep learning-based approaches, such as AlphaFold2 (AF2), have significantly advanced protein tertiary structure prediction, achieving results comparable to real biological experimental methods. While AF2 has shown limitations in predicting…

Biomolecules · Quantitative Biology 2025-01-23 Zhongju Yuan , Tao Shen , Sheng Xu , Leiye Yu , Ruobing Ren , Siqi Sun

Convolutional Neural Networks (ConvNets) are trained offline using the few available data and may therefore suffer from substantial accuracy loss when ported on the field, where unseen input patterns received under unpredictable external…

Computer Vision and Pattern Recognition · Computer Science 2021-05-14 Luca Mocerino , Roberto G. Rizzo , Valentino Peluso , Andrea Calimera , Enrico Macii

Convolutional Neural Networks (CNNs) define an exceptionally powerful class of models for image classification, but the theoretical background and the understanding of how invariances to certain transformations are learned is limited. In a…

Computer Vision and Pattern Recognition · Computer Science 2018-03-19 Charlotte Bunne , Lukas Rahmann , Thomas Wolf

In the past five years we have observed the rise of incredibly well performing feed-forward neural networks trained supervisedly for vision related tasks. These models have achieved super-human performance on object recognition,…

Computer Vision and Pattern Recognition · Computer Science 2017-06-15 Alfredo Canziani , Eugenio Culurciello

G-Protein Coupled Receptors (GPCRs) are integral to numerous physiological processes and are the target of approximately one-third of FDA-approved therapeutics. Despite their significance, only a limited subset of GPCRs has been…

Quantitative Methods · Quantitative Biology 2025-02-26 Garima Chib , Parisa Mollaei , Amir Barati Farimani

Humans can effectively find salient regions in complex scenes. Self-attention mechanisms were introduced into Computer Vision (CV) to achieve this. Attention Augmented Convolutional Network (AANet) is a mixture of convolution and…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Runqing Zhang , Tianshu Zhu

Backpropagation has long been criticized for being biologically implausible due to its reliance on concepts that are not viable in natural learning processes. Two core issues are the weight transport and update locking problems caused by…

Machine Learning · Computer Science 2026-01-14 Katharina Flügel , Daniel Coquelin , Marie Weiel , Charlotte Debus , Achim Streit , Markus Götz

Convolutional neural networks (CNNs) are one of the most popular models of Artificial Neural Networks (ANN)s in Computer Vision (CV). A variety of CNN-based structures were developed by researchers to solve problems like image…

Computer Vision and Pattern Recognition · Computer Science 2022-09-30 Bowen Qiu , Daniela Raicu , Jacob Furst , Roselyne Tchoua

Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on experimentally resolved structures, but these cover only a…

Biomolecules · Quantitative Biology 2023-11-27 Igor Melnyk , Aurelie Lozano , Payel Das , Vijil Chenthamarakshan

It is not trivial to optimally learn a 3D Convolutional Neural Networks (3D ConvNets) due to high complexity and various options of the training scheme. The most common hand-tuning process starts from learning 3D ConvNets using short video…

Computer Vision and Pattern Recognition · Computer Science 2022-01-12 Zhaofan Qiu , Ting Yao , Chong-Wah Ngo , Tao Mei

We present flattened convolutional neural networks that are designed for fast feedforward execution. The redundancy of the parameters, especially weights of the convolutional filters in convolutional neural networks has been extensively…

Neural and Evolutionary Computing · Computer Science 2015-11-23 Jonghoon Jin , Aysegul Dundar , Eugenio Culurciello

We present a novel framework for embedding hard constraint satisfaction into neural network (NN) architectures, specifically feedforward neural networks and transformers, with input-dependent affine constraints of arbitrary cardinality.…

Machine Learning · Computer Science 2026-05-26 Yang Zhao , Jungeun Lee , Jeong hwan Jeon , Sze Zheng Yong

The recent breakthrough of AlphaFold3 in modeling complex biomolecular interactions, including those between proteins and ligands, nucleotides, or metal ions, creates new opportunities for protein design. In so-called inverse protein…

Biomolecules · Quantitative Biology 2025-07-22 Kai Yi , Kiarash Jamali , Sjors H. W. Scheres

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

We study a new highly-practical problem setting that enables resource-constrained edge devices to adapt a pre-trained model to their local data distributions. Recognizing that device's data are likely to come from multiple latent domains…

Machine Learning · Computer Science 2024-02-02 Ondrej Bohdal , Da Li , Shell Xu Hu , Timothy Hospedales

Adapting Foundation Models (FMs) for downstream tasks through Federated Learning (FL) emerges a promising strategy for protecting data privacy and valuable FMs. Existing methods fine-tune FM by allocating sub-FM to clients in FL, however,…

Machine Learning · Computer Science 2024-04-30 Zhaopeng Peng , Xiaoliang Fan , Yufan Chen , Zheng Wang , Shirui Pan , Chenglu Wen , Ruisheng Zhang , Cheng Wang

Conventional affine formation control (AFC) empowers a network of agents with flexible but collective motions - a potential which has not yet been exploited for large-scale swarms. One of the key bottlenecks lies in the design of an…

Systems and Control · Electrical Eng. & Systems 2026-03-31 Zhonggang Li , Geert Leus , Raj Thilak Rajan

Multi-class cell nuclei detection is a fundamental prerequisite in the diagnosis of histopathology. It is critical to efficiently locate and identify cells with diverse morphology and distributions in digital pathological images. Most…

Computer Vision and Pattern Recognition · Computer Science 2023-10-24 Junjia Huang , Haofeng Li , Xiang Wan , Guanbin Li

Convolutional Neural Networks (CNNs) are well-known for their vulnerability to adversarial attacks, posing significant security concerns. In response to these threats, various defense methods have emerged to bolster the model's robustness.…

Computer Vision and Pattern Recognition · Computer Science 2024-06-14 Jiacong Hu , Jingwen Ye , Zunlei Feng , Jiazhen Yang , Shunyu Liu , Xiaotian Yu , Lingxiang Jia , Mingli Song