相关论文: Attentive cross-modal paratope prediction

Antibody design, a crucial task with significant implications across various disciplines such as therapeutics and biology, presents considerable challenges due to its intricate nature. In this paper, we tackle antigen-specific antibody…

We propose a novel inherently interpretable machine learning method that bases decisions on few relevant examples that we call prototypes. Our method, ProtoAttend, can be integrated into a wide range of neural network architectures…

In recommender systems, models mostly use a combination of embedding layers and multilayer feedforward neural networks. The high-dimensional sparse original features are downscaled in the embedding layer and then fed into the fully…

Deep neural networks (DNNs) could be deceived by generating human-imperceptible perturbations of clean samples. Therefore, enhancing the robustness of DNNs against adversarial attacks is a crucial task. In this paper, we aim to train robust…

Artificial neural network (ANN) ability to learn, correct errors, and transform a large amount of raw data into useful medical decisions for treatment and care have increased its popularity for enhanced patient safety and quality of care.…

Antigen-antibody binding is a critical process in the immune response. Although recent progress has advanced antibody design, current methods lack a generative framework for end-to-end modeling of full-atom antibody structures and struggle…

Antibody-facilitated immune responses are central to the body's defense against pathogens, viruses, and other foreign invaders. The ability of antibodies to specifically bind and neutralize antigens is vital for maintaining immunity. Over…

Pre-training is known to generate universal representations for downstream tasks in large-scale deep learning such as large language models. Existing literature, e.g., \cite{kim2020adversarial}, empirically observe that the downstream tasks…

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining…

Epitope identification is vital for antibody design yet challenging due to the inherent variability in antibodies. While many deep learning methods have been developed for general protein binding site prediction tasks, whether they work for…

The ability to anticipate possible future human actions is essential for a wide range of applications, including autonomous driving and human-robot interaction. Consequently, numerous methods have been introduced for action anticipation in…

In convolutional neural network based medical image segmentation, the periphery of foreground regions representing malignant tissues may be disproportionately assigned as belonging to the background class of healthy tissues…

Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to…

The increasing popularity of attention mechanisms in deep learning algorithms for computer vision and natural language processing made these models attractive to other research domains. In healthcare, there is a strong need for tools that…

Recently, Antimicrobial peptides (AMPs) have been an area of interest in the researches, as the first line of defense against the bacteria. They are raising attention as an efficient way of fighting multidrug resistance. Discovering and…

Designing a single neural network architecture that performs competitively across a range of molecule property prediction tasks remains largely an open challenge, and its solution may unlock a widespread use of deep learning in the drug…

Object-based attention is a key component of the visual system, relevant for perception, learning, and memory. Neurons tuned to features of attended objects tend to be more active than those associated with non-attended objects. There is a…

A pivotal area of research in antibody engineering is to find effective modifications that enhance antibody-antigen binding affinity. Traditional wet-lab experiments assess mutants in a costly and time-consuming manner. Emerging deep…

Protein secondary structure prediction is an important problem in bioinformatics. Inspired by the recent successes of deep neural networks, in this paper, we propose an end-to-end deep network that predicts protein secondary structures from…

Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…