相关论文: Predicting multicellular function through multi-la…

Modeling the dynamics of cellular differentiation is fundamental to advancing the understanding and treatment of diseases associated with this process, such as cancer. With the rapid growth of single-cell datasets, this has also become a…

The calculation of thermodynamic properties of biochemical systems typically requires the use of resource-intensive molecular simulation methods. One example thereof is the thermodynamic profiling of hydration sites, i.e. high-probability…

Retrieving occlusion relation among objects in a single image is challenging due to sparsity of boundaries in image. We observe two key issues in existing works: firstly, lack of an architecture which can exploit the limited amount of…

A key feature of out-of-distribution (OOD) detection is to exploit a trained neural network by extracting statistical patterns and relationships through the multi-layer classifier to detect shifts in the expected input data distribution.…

Multitask algorithms typically use task similarity information as a bias to speed up and improve the performance of learning processes. Tasks are learned jointly, sharing information across them, in order to construct models more accurate…

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively…

The increase of available large clinical and experimental datasets has contributed to a substantial amount of important contributions in the area of biomedical image analysis. Image segmentation, which is crucial for any quantitative…

Protein-protein interactions (PPIs) are fundamental for deciphering cellular functions,disease pathways,and drug discovery.Although existing neural networks and machine learning methods have achieved high accuracy in PPI prediction,their…

Machine learning applications cover a wide range of predictive tasks in which tabular datasets play a significant role. However, although they often address similar problems, tabular datasets are typically treated as standalone tasks. The…

Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for both drug discovery and protein engineering. We build upon…

The arc of drug discovery entails a multiparameter optimization problem spanning vast length scales. They key parameters range from solubility (angstroms) to protein-ligand binding (nanometers) to in vivo toxicity (meters). Through feature…

Some networked systems can be better modelled by multilayer structure where the individual nodes develop relationships in multiple layers. Multilayer networks with similar nodes across layers are also known as multiplex networks. This…

Mathematical optimization is widely used in various research fields. With a carefully-designed objective function, mathematical optimization can be quite helpful in solving many problems. However, objective functions are usually…

The structural and spatial arrangements of cells within tissues represent their functional states, making graph-based learning highly suitable for histopathology image analysis. Existing methods often rely on fixed graphs with predefined…

Complex networks encountered in biology are often characterized by significant structural diversity. Whether it be differences in the three-dimensional structure of allosteric proteins, or the variation among the micro-scale structures of…

Capsule networks (CapsNets) were introduced to address convolutional neural networks limitations, learning object-centric representations that are more robust, pose-aware, and interpretable. They organize neurons into groups called…

Predicting the motion of multiple traffic participants has always been one of the most challenging tasks in autonomous driving. The recently proposed occupancy flow field prediction method has shown to be a more effective and scalable…

Motivation: Protein interactions are fundamental building blocks of biochemical reaction systems underlying cellular functions. The complexity and functionality of such systems emerge not from the protein interactions themselves but from…

Feed-forward, fully-connected Artificial Neural Networks (ANNs) or the so-called Multi-Layer Perceptrons (MLPs) are well-known universal approximators. However, their learning performance varies significantly depending on the function or…

Over the past years, embedding learning on networks has shown tremendous results in link prediction tasks for complex systems, with a wide range of real-life applications. Learning a representation for each node in a knowledge graph allows…