相关论文: Reinforcement Learning-Driven Linker Design via Fa…

A key assumption in multi-task learning is that at the inference time the multi-task model only has access to a given data point but not to the data point's labels from other tasks. This presents an opportunity to extend multi-task learning…

Accurate segmentation of thin, tubular structures (e.g., blood vessels) is challenging for deep neural networks. These networks classify individual pixels, and even minor misclassifications can break the thin connections within these…

Training reinforcement learning (RL) agents often requires significant computational resources and prolonged training durations. To address this challenge, we build upon prior work that introduced a neural architecture with…

Prostate gland segmentation from T2-weighted MRI is a critical yet challenging task in clinical prostate cancer assessment. While deep learning-based methods have significantly advanced automated segmentation, most conventional…

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Medical image annotation is a major hurdle for developing precise and robust machine learning models. Annotation is expensive, time-consuming, and often requires expert knowledge, particularly in the medical field. Here, we suggest using…

Multi-task learning (MTL) paradigm focuses on jointly learning two or more tasks, aiming for significant improvement w.r.t model's generalizability, performance, and training/inference memory footprint. The aforementioned benefits become…

This work introduces Cross-Attentive Modulation (CAM) tokens, which are tokens whose initial value is learned, gather information through cross-attention, and modulate the nodes and edges accordingly. These tokens are meant to improve the…

Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…

Deep learning-based prediction of protein-ligand complexes has advanced significantly with the development of architectures such as AlphaFold3, Boltz-1, Chai-1, Protenix, and NeuralPlexer. Multiple sequence alignment (MSA) has been a key…

3D referring segmentation is an emerging and challenging vision-language task that aims to segment the object described by a natural language expression in a point cloud scene. The key challenge behind this task is vision-language feature…

Representing molecular structures effectively in chemistry remains a challenging task. Language models and graph-based models are extensively utilized within this domain, consistently achieving state-of-the-art results across an array of…

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

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…

Secure federated learning (FL) preserves data privacy during distributed model training. However, deploying such frameworks across heterogeneous devices results in performance bottlenecks, due to straggler clients with limited computational…

In this paper, we introduce LINKS, a dataset of 100 million one degree of freedom planar linkage mechanisms and 1.1 billion coupler curves, which is more than 1000 times larger than any existing database of planar mechanisms and is not…

Attention-based deep networks have been successfully applied on textual data in the field of NLP. However, their application on protein sequences poses additional challenges due to the weak semantics of the protein words, unlike the plain…

Pixel-wise annotations are notoriously labourious and costly to obtain in the medical domain. To mitigate this burden, weakly supervised approaches based on bounding box annotations-much easier to acquire-offer a practical alternative.…

At the heart of the structured architecture and complex dynamics of biological systems are specific and timely interactions operated by biomolecules. In many instances, biomolecular agents are spatially confined to flexible lipid membranes…

Few-shot point cloud semantic segmentation aims to accurately segment "unseen" new categories in point cloud scenes using limited labeled data. However, pretraining-based methods not only introduce excessive time overhead but also overlook…