相关论文: AntibodyFlow: Normalizing Flow Model for Designing…

Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

Biological processes, functions, and properties are intricately linked to the ensemble of protein conformations, rather than being solely determined by a single stable conformation. In this study, we have developed P2DFlow, a generative…

Collateral circulation results from specialized anastomotic channels which are capable of providing oxygenated blood to regions with compromised blood flow caused by ischemic injuries. The quality of collateral circulation has been…

We introduce RNA-FrameFlow, the first generative model for 3D RNA backbone design. We build upon SE(3) flow matching for protein backbone generation and establish protocols for data preparation and evaluation to address unique challenges…

Normalizing flows are deep generative models that enable efficient likelihood estimation and sampling through invertible transformations. A key challenge is to design linear layers that enhance expressiveness while maintaining efficient…

Equivariant graph neural network (GNN) methods for antibody complementarity-determining region (CDR) design achieve the highest sequence recovery but suffer from severe vocabulary collapse. The current best GNN methods over-predict very few…

This paper deals with the problem of building fast and reliable 3D reconstruction methods for blood flows for which partial information is given by Doppler ultrasound measurements. This task is of interest in medicine since it could enrich…

Matching information across image and text modalities is a fundamental challenge for many applications that involve both vision and natural language processing. The objective is to find efficient similarity metrics to compare the similarity…

Medical coding converts free-text clinical notes into standardized diagnostic and procedural codes, which are essential for billing, hospital operations, and medical research. Unlike ordinary text classification, it requires multi-step…

Machine learning (ML) has demonstrated significant promise in accelerating drug design. Active ML-guided optimization of therapeutic molecules typically relies on a surrogate model predicting the target property of interest. The model…

Deep reinforcement learning (DRL) is emerging as a powerful tool for fluid-dynamics research, encompassing active flow control, autonomous navigation, turbulence modeling and discovery of novel numerical schemes. We introduce SmartFlow, a…

4D Flow Magnetic Resonance Imaging (4D Flow MRI) is a non-invasive measurement technique capable of quantifying blood flow across the cardiovascular system. While practical use is limited by spatial resolution and image noise, incorporation…

Deep Metric Learning (DML), a widely-used technique, involves learning a distance metric between pairs of samples. DML uses deep neural architectures to learn semantic embeddings of the input, where the distance between similar examples is…

Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. While existing works have typically focused on comparing models…

Human metapneumovirus (hMPV) poses serious risks to pediatric, elderly, and immunocompromised populations. Traditional antibody discovery pipelines require 10-12 months, limiting their applicability for rapid outbreak response. This project…

AlphaFold 3 (AF3) is a powerful biomolecular structure-predicting tool based on the latest deep learning algorithms and revolutionized AI model architectures. A few of papers have already investigated its accuracy in predicting different…

Given a source portrait, the automatic human body reshaping task aims at editing it to an aesthetic body shape. As the technology has been widely used in media, several methods have been proposed mainly focusing on generating optical flow…

Despite the central role that antibodies play in the adaptive immune system and in biotechnology, much remains unknown about the quantitative relationship between an antibody's amino acid sequence and its antigen binding affinity. Here we…

Flow cytometry is a technique that measures multiple fluorescence and light scatter-associated parameters from individual cells as they flow a single file through an excitation light source. These cells are labeled with antibodies to detect…

Network embedding which encodes all vertices in a network as a set of numerical vectors in accordance with it's local and global structures, has drawn widespread attention. Network embedding not only learns significant features of a…