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Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the analysis of protein composition in biological samples. Despite the development of various deep learning methods for identifying amino acid sequences…
Thread-like structures are pervasive across scales, from polymeric proteins to root systems to galaxy filaments, and their characteristics can be readily investigated in the network formalism. Yet, network links usually represent only parts…
The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…
The Fast Fourier Transform (FFT) correlation approach to protein-protein docking can evaluate the energies of billions of docked conformations on a grid if the energy is described in the form of a correlation function. Here, this…
Despite progress, deep neural networks still suffer performance declines under distribution shifts between training and test domains, leading to a substantial decrease in Quality of Experience (QoE) for applications. Existing test-time…
Although feature models are widely used in practice, for example, representing variability in software product lines, their integration is still a challenge. Many integration techniques have been proposed, although none of these have proven…
Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this…
The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…
Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…
Instance segmentation is an important task for biomedical and biological image analysis. Due to the complicated background components, the high variability of object appearances, numerous overlapping objects, and ambiguous object…
Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…
We study a variant of domain adaptation for named-entity recognition where multiple, heterogeneously tagged training sets are available. Furthermore, the test tag-set is not identical to any individual training tag-set. Yet, the relations…
Single-cell multi-omics (scMulti-omics) refers to the paired multimodal data, such as Cellular Indexing of Transcriptomes and Epitopes by Sequencing (CITE-seq), where the regulation of each cell was measured from different modalities, i.e.…
We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…
Essential protein plays a crucial role in the process of cell life. The identification of essential proteins can not only promote the development of drug target technology, but also contribute to the mechanism of biological evolution. There…
The objective of this study is to develop a patch-based labeling method that cooperates with a label fusion using non-rigid registrations. We present a novel patch-based label fusion method, whose selected patches and their weights are…
The Choquet integral is a tool for the information fusion that is very effective in the case where fuzzy measures associated with it are well chosen. In this paper,we propose a new approach for calculating fuzzy measures associated with the…
Jet flavour identification algorithms are of paramount importance to maximise the physics potential of future collider experiments. This work describes a novel set of tools allowing for a realistic simulation and reconstruction of particle…
The rapid advancement of generative models has led to a growing prevalence of highly realistic AI-generated images, posing significant challenges for digital forensics and content authentication. Conventional detection methods mainly rely…
Foundation language models obtain the instruction-following ability through supervised fine-tuning (SFT). Diversity and complexity are considered critical factors of a successful SFT dataset, while their definitions remain obscure and lack…