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DNA G-hairpins are potential key structures participating in folding of human telomeric guanine quadruplexes (GQ). We examined their properties by standard MD simulations starting from the folded state and long T-REMD starting from the…

We propose a novel randomized algorithm for constructing binary neural networks with tunable accuracy. This approach is motivated by hyperdimensional computing (HDC), which is a brain-inspired paradigm that leverages high-dimensional vector…

机器学习 · 计算机科学 2025-11-27 Alireza Aghasi , Nicholas Marshall , Saeid Pourmand , Wyatt Whiting

Transformer attention architectures, similar to those developed for natural language processing, have recently proved efficient also in vision, either in conjunction with or as a replacement for convolutional layers. Typically, visual…

计算机视觉与模式识别 · 计算机科学 2021-07-01 Rufin VanRullen , Andrea Alamia

Attention mechanisms have raised significant interest in the research community, since they promise significant improvements in the performance of neural network architectures. However, in any specific problem, we still lack a principled…

计算机视觉与模式识别 · 计算机科学 2021-12-24 Rafael Pedro , Arlindo L. Oliveira

Attention has long been proposed by psychologists as important for effectively dealing with the enormous sensory stimulus available in the neocortex. Inspired by the visual attention models in computational neuroscience and the need of…

计算机视觉与模式识别 · 计算机科学 2015-02-24 Yichuan Tang , Nitish Srivastava , Ruslan Salakhutdinov

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

机器学习 · 计算机科学 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Attention plays a fundamental role in both natural and artificial intelligence systems. In deep learning, attention-based neural architectures, such as transformer architectures, are widely used to tackle problems in natural language…

机器学习 · 计算机科学 2022-02-18 Pierre Baldi , Roman Vershynin

Transformers have emerged as a powerful neural network architecture capable of tackling a wide range of learning tasks. In this work, we provide a theoretical analysis of their ability to automatically extract structure from data in an…

机器学习 · 统计学 2025-10-29 Rodrigo Maulen-Soto , Pierre Marion , Claire Boyer

We present Bi-Level Attention-Based Relational Graph Convolutional Networks (BR-GCN), unique neural network architectures that utilize masked self-attentional layers with relational graph convolutions, to effectively operate on highly…

机器学习 · 计算机科学 2024-04-16 Roshni G. Iyer , Wei Wang , Yizhou Sun

Transformers are one of the most successful architectures of modern neural networks. At their core there is the so-called attention mechanism, which recently interested the physics community as it can be written as the derivative of an…

机器学习 · 计算机科学 2024-09-25 Francesco D'Amico , Matteo Negri

Deep learning for predicting or generating 3D human pose sequences is an active research area. Previous work regresses either joint rotations or joint positions. The former strategy is prone to error accumulation along the kinematic chain,…

计算机视觉与模式识别 · 计算机科学 2018-08-02 Dario Pavllo , David Grangier , Michael Auli

Recently, a series of works in computer vision have shown promising results on various image and video understanding tasks using self-attention. However, due to the quadratic computational and memory complexities of self-attention, these…

计算机视觉与模式识别 · 计算机科学 2020-10-15 Zhuoran Shen , Irwan Bello , Raviteja Vemulapalli , Xuhui Jia , Ching-Hui Chen

Machine learning and deep learning have gained popularity and achieved immense success in Drug discovery in recent decades. Historically, machine learning and deep learning models were trained on either structural data or chemical…

机器学习 · 统计学 2019-09-18 Huy Ngoc Pham , Trung Hoang Le

Transformer architectures are now central to sequence modeling tasks. At its heart is the attention mechanism, which enables effective modeling of long-term dependencies in a sequence. Recently, transformers have been successfully applied…

计算机视觉与模式识别 · 计算机科学 2022-06-16 Lin Zheng , Huijie Pan , Lingpeng Kong

Recurrent neural networks with differentiable attention mechanisms have had success in generative and classification tasks. We show that the classification performance of such models can be enhanced by guiding a randomly initialized model…

机器学习 · 计算机科学 2017-12-18 Jack Lindsey

Graph convolutional networks (GCNs) have achieved remarkable learning ability for dealing with various graph structural data recently. In general, deep GCNs do not work well since graph convolution in conventional GCNs is a special form of…

机器学习 · 计算机科学 2021-12-08 Zhilong Xiong , Jia Cai

The importance of four-dimensional (4D) trajectory prediction within air traffic management systems is on the rise. Key operations such as conflict detection and resolution, aircraft anomaly monitoring, and the management of congested…

计算机视觉与模式识别 · 计算机科学 2025-03-14 Yuheng Kuang , Zhengning Wang , Jianping Zhang , Zhenyu Shi , Yuding Zhang

Sequence classification has a wide range of real-world applications in different domains, such as genome classification in health and anomaly detection in business. However, the lack of explicit features in sequence data makes it difficult…

机器学习 · 计算机科学 2023-06-19 Khaled Mohammed Saifuddin , Corey May , Farhan Tanvir , Muhammad Ifte Khairul Islam , Esra Akbas

Attention-based transformers have become the standard architecture in many deep learning fields, primarily due to their ability to model long-range dependencies and handle variable-length input sequences. However, the attention mechanism…

机器学习 · 计算机科学 2024-06-18 Kalle Hilsenbek

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…

生物大分子 · 定量生物学 2023-10-20 Markus J. Buehler