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Understanding protein structure-function relationships is a key challenge in computational biology, with applications across the biotechnology and pharmaceutical industries. While it is known that protein structure directly impacts protein…

生物大分子 · 定量生物学 2020-11-02 Nicolas Swenson , Aditi S. Krishnapriyan , Aydin Buluc , Dmitriy Morozov , Katherine Yelick

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization…

计算机视觉与模式识别 · 计算机科学 2021-03-12 Theodoros Georgiou , Sebastian Schmitt , Thomas Bäck , Wei Chen , Michael Lew

Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or sets thereof are represented via graph structures, is a…

生物大分子 · 定量生物学 2021-09-15 Vy Duong , Elizabeth Diessner , Gianmarc Grazioli , Rachel W. Martin , Carter T. Butts

By recursively summing node features over entire neighborhoods, spatial graph convolution operators have been heralded as key to the success of Graph Neural Networks (GNNs). Yet, despite the multiplication of GNN methods across tasks and…

机器学习 · 计算机科学 2022-07-14 Sowon Jeong , Claire Donnat

Low precision weights, activations, and gradients have been proposed as a way to improve the computational efficiency and memory footprint of deep neural networks. Recently, low precision networks have even shown to be more robust to…

机器学习 · 计算机科学 2018-07-04 Griffin Lacey , Graham W. Taylor , Shawki Areibi

Deep learning has been successfully applied to the single-image super-resolution (SISR) task with great performance in recent years. However, most convolutional neural network based SR models require heavy computation, which limit their…

计算机视觉与模式识别 · 计算机科学 2019-04-05 Chaofeng Wang , Zheng Li , Jun Shi

Binary neural networks (BNNs) have received ever-increasing popularity for their great capability of reducing storage burden as well as quickening inference time. However, there is a severe performance drop compared with real-valued…

机器学习 · 计算机科学 2023-02-07 Sheng Xu , Yanjing Li , Teli Ma , Mingbao Lin , Hao Dong , Baochang Zhang , Peng Gao , Jinhu Lv

Proper regularization is critical for speeding up training, improving generalization performance, and learning compact models that are cost efficient. We propose and analyze regularized gradient descent algorithms for learning shallow…

机器学习 · 计算机科学 2018-06-08 Samet Oymak

It is broadly known that deep neural networks are susceptible to being fooled by adversarial examples with perturbations imperceptible by humans. Various defenses have been proposed to improve adversarial robustness, among which adversarial…

机器学习 · 计算机科学 2023-03-30 Wei Wei , Jiahuan Zhou , Ying Wu

We present a general variational framework for the training of freeform nonlinearities in layered computational architectures subject to some slope constraints. The regularization that we add to the traditional training loss penalizes the…

机器学习 · 统计学 2025-03-31 Michael Unser , Alexis Goujon , Stanislas Ducotterd

Standard deep learning models for image segmentation cannot guarantee topology accuracy, failing to preserve the correct number of connected components or structures. This, in turn, affects the quality of the segmentations and compromises…

计算机视觉与模式识别 · 计算机科学 2026-03-20 Juan Miguel Valverde , Dim P. Papadopoulos , Rasmus Larsen , Anders Bjorholm Dahl

Convolutional Neural Networks (CNN) and the locally connected layer are limited in capturing the importance and relations of different local receptive fields, which are often crucial for tasks such as face verification, visual question…

机器学习 · 计算机科学 2017-11-23 Liang Pang , Yanyan Lan , Jun Xu , Jiafeng Guo , Xueqi Cheng

Current brain surface-based prediction models often overlook the variability of regional attributes at the cortical feature level. While graph neural networks (GNNs) excel at capturing regional differences, they encounter challenges when…

神经元与认知 · 定量生物学 2024-11-12 Zhuoshuo Li , Jiong Zhang , Youbing Zeng , Jiaying Lin , Dan Zhang , Jianjia Zhang , Duan Xu , Hosung Kim , Bingguang Liu , Mengting Liu

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

机器学习 · 计算机科学 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Neural Collapse (NC) is a geometric structure recently observed at the terminal phase of training deep neural networks, which states that last-layer feature vectors for the same class would "collapse" to a single point, while features of…

机器学习 · 计算机科学 2024-09-06 Leyan Pan , Xinyuan Cao

Recurrent Neural Networks (RNNs) produce state-of-art performance on many machine learning tasks but their demand on resources in terms of memory and computational power are often high. Therefore, there is a great interest in optimizing the…

神经与进化计算 · 计算机科学 2017-02-28 Joachim Ott , Zhouhan Lin , Ying Zhang , Shih-Chii Liu , Yoshua Bengio

Continuous neural representations have recently emerged as a powerful and flexible alternative to classical discretized representations of signals. However, training them to capture fine details in multi-scale signals is difficult and…

机器学习 · 计算机科学 2022-10-06 Sifan Wang , Hanwen Wang , Jacob H. Seidman , Paris Perdikaris

Viewing neural network models in terms of their loss landscapes has a long history in the statistical mechanics approach to learning, and in recent years it has received attention within machine learning proper. Among other things, local…

Localization in topological maps is essential for image-based navigation using an RGB camera. Localization using only one camera can be challenging in medium-to-large-sized environments because similar-looking images are often observed…

机器人学 · 计算机科学 2022-04-29 Takahiro Niwa , Shun Taguchi , Noriaki Hirose

Convolutional Neural Networks (ConvNets) have successfully contributed to improve the accuracy of regression-based methods for computer vision tasks such as human pose estimation, landmark localization, and object detection. The network…

计算机视觉与模式识别 · 计算机科学 2015-09-23 Vasileios Belagiannis , Christian Rupprecht , Gustavo Carneiro , Nassir Navab