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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…
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…
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…
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…
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,…
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…
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…
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…
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…
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,…
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…
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…
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…
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…
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…
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…
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…
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…
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…