相关论文: ABConformer: Physics-inspired Sliding Attention fo…

Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design,…

While convolutional neural networks have shown a tremendous impact on various computer vision tasks, they generally demonstrate limitations in explicitly modeling long-range dependencies due to the intrinsic locality of the convolution…

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…

Accurate prediction of antibody structure is a central task in the design and development of monoclonal antibodies, notably to understand both their developability and their binding properties. In this article, we introduce ABodyBuilder3,…

Time series forecasting is widely used in the fields of equipment life cycle forecasting, weather forecasting, traffic flow forecasting, and other fields. Recently, some scholars have tried to apply Transformer to time series forecasting…

The recently proposed Conformer model has become the de facto backbone model for various downstream speech tasks based on its hybrid attention-convolution architecture that captures both local and global features. However, through a series…

Blind face restoration is a highly ill-posed problem that often requires auxiliary guidance to 1) improve the mapping from degraded inputs to desired outputs, or 2) complement high-quality details lost in the inputs. In this paper, we…

Accurate prediction of CB2 receptor ligand activity is pivotal for advancing drug discovery targeting this receptor, which is implicated in inflammation, pain management, and neurodegenerative conditions. Although conventional machine…

Multivariate time series anomalies often manifest as shifts in cross-channel dependencies rather than simple amplitude excursions. In autonomous driving, for instance, a steering command might be internally consistent but decouple from the…

The high binding affinity of antibodies towards their cognate targets is key to eliciting effective immune responses, as well as to the use of antibodies as research and therapeutic tools. Here, we propose ANTIPASTI, a Convolutional Neural…

Recently, radical progress in machine learning (ML) has revolutionized computational materials science, enabling unprecedentedly rapid materials discovery and property prediction, but the quantum many-body problem -- which is the key to…

Generative models can now propose thousands of \emph{de novo} antibody sequences, yet translating these designs into viable therapeutics remains constrained by the cost of biophysical characterization. Here we present CrossAbSense, a…

Human face synthesis and manipulation are increasingly important in entertainment and AI, with a growing demand for highly realistic, identity-preserving images even when only unpaired, unaligned datasets are available. We study unpaired…

Predicting the binding free energy between antibodies and antigens is a key challenge in structure-aware biomolecular modeling, with direct implications for antibody design. Most existing methods either rely solely on sequence embeddings or…

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our…

The portrait matting task aims to extract an alpha matte with complete semantics and finely-detailed contours. In comparison to CNN-based approaches, transformers with self-attention module have a better capacity to capture long-range…

This study proposes a 3D semantic segmentation method for the spine based on the improved SwinUNETR to improve segmentation accuracy and robustness. Aiming at the complex anatomical structure of spinal images, this paper introduces a…

Antibody design remains a critical challenge in therapeutic and diagnostic development, particularly for complex antigens with diverse binding interfaces. Current computational methods face two main limitations: (1) capturing geometric…

We propose an attention-based approach for multimodal image patch matching using a Transformer encoder attending to the feature maps of a multiscale Siamese CNN. Our encoder is shown to efficiently aggregate multiscale image embeddings…

Approximate Bayesian Computation (ABC) methods are commonly used to approximate posterior distributions in models with unknown or computationally intractable likelihoods. Classical ABC methods are based on nearest neighbor type algorithms…