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Genome-wide experiments to map the DNA-binding locations of transcription-associated factors (TFs) have shown that the number of genes bound by a TF far exceeds the number of possible direct target genes. Distinguishing functional from…

Genomics · Quantitative Biology 2022-11-29 Christopher J. Banks , Anagha Joshi , Tom Michoel

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…

Post-translational modifications (PTMs) in proteins occur after the process of translation. PTMs account for many cellular processes such as deoxyribonucleic acid (DNA) repair, cell signaling and cell death. One of the recent PTMs is…

Biomolecules · Quantitative Biology 2022-01-28 Olusola Odeyomi , Gergely Zaruba

In recent years, deep learning techniques have outperformed traditional models in many machine learning tasks. Deep neural networks have successfully been applied to address time series forecasting problems, which is a very important topic…

Machine Learning · Computer Science 2021-04-09 Pedro Lara-Benítez , Manuel Carranza-García , José C. Riquelme

Traffic forecasting is a challenging problem due to complex road networks and sudden speed changes caused by various events on roads. A number of models have been proposed to solve this challenging problem with a focus on learning…

Machine Learning · Computer Science 2022-03-09 Hyunwook Lee , Seungmin Jin , Hyeshin Chu , Hongkyu Lim , Sungahn Ko

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Tactics, Techniques and Procedures (TTPs) represent sophisticated attack patterns in the cybersecurity domain, described encyclopedically in textual knowledge bases. Identifying TTPs in cybersecurity writing, often called TTP mapping, is an…

Machine Learning · Computer Science 2025-07-28 Tu Nguyen , Nedim Šrndić , Alexander Neth

Recent applications of deep convolutional neural networks in medical imaging raise concerns about their interpretability. While most explainable deep learning applications use post hoc methods (such as GradCAM) to generate feature…

Computer Vision and Pattern Recognition · Computer Science 2023-04-17 Yuanyuan Wei , Roger Tam , Xiaoying Tang

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Predicting ATP-Protein Binding sites in genes is of great significance in the field of Biology and Medicine. The majority of research in this field has been conducted through time- and resource-intensive 'wet experiments' in laboratories.…

Biomolecules · Quantitative Biology 2024-02-06 Shreyas V , Swati Agarwal

Proteins perform essential biological functions, and accurate classification of their sequences is critical for understanding structure-function relationships, enzyme mechanisms, and molecular interactions. This study presents a deep…

Quantitative Methods · Quantitative Biology 2025-11-19 Pratik Chakraborty , Aryan Bhargava

Despite the popularity of deep learning, structure learning for deep models remains a relatively under-explored area. In contrast, structure learning has been studied extensively for probabilistic graphical models (PGMs). In particular, an…

Machine Learning · Computer Science 2018-03-19 Zhourong Chen , Xiaopeng Li , Nevin L. Zhang

Prototype-based classification learning methods are known to be inherently interpretable. However, this paradigm suffers from major limitations compared to deep models, such as lower performance. This led to the development of the so-called…

Machine Learning · Computer Science 2025-04-18 Sascha Saralajew , Ashish Rana , Thomas Villmann , Ammar Shaker

In this paper, we present a new method, Transductive Multi-Head Few-Shot learning (TMHFS), to address the Cross-Domain Few-Shot Learning (CD-FSL) challenge. The TMHFS method extends the Meta-Confidence Transduction (MCT) and Dense…

Computer Vision and Pattern Recognition · Computer Science 2020-06-23 Jianan Jiang , Zhenpeng Li , Yuhong Guo , Jieping Ye

Gene promoters are the key DNA regulatory elements positioned around the transcription start sites and are responsible for regulating gene transcription process. Various alignment-based, signal-based and content-based approaches are…

Genomics · Quantitative Biology 2021-05-18 Nikita Bhandari , Satyajeet Khare , Rahee Walambe , Ketan Kotecha

Deep neural networks have achieved state of the art accuracy at classifying molecules with respect to whether they bind to specific protein targets. A key breakthrough would occur if these models could reveal the fragment pharmacophores…

Machine Learning · Computer Science 2020-02-12 Kevin McCloskey , Ankur Taly , Federico Monti , Michael P. Brenner , Lucy Colwell

Prior-Fitted Networks (PFNs) have recently been proposed to efficiently perform tabular classification tasks. Although they achieve good performance on small datasets, they encounter limitations with larger datasets. These limitations…

Machine Learning · Computer Science 2025-03-04 Yuxin Wang , Botian Jiang , Yiran Guo , Quan Gan , David Wipf , Xuanjing Huang , Xipeng Qiu

Identification of drug-target interactions (DTIs) plays a key role in drug discovery. The high cost and labor-intensive nature of in vitro and in vivo experiments have highlighted the importance of in silico-based DTI prediction approaches.…

Quantitative Methods · Quantitative Biology 2019-09-11 Ingoo Lee , Jongsoo Keum , Hojung Nam

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into…

Machine Learning · Computer Science 2025-06-13 Cheng-Yen Hsieh , Xinyou Wang , Daiheng Zhang , Dongyu Xue , Fei Ye , Shujian Huang , Zaixiang Zheng , Quanquan Gu

In computational molecular biology, gene regulatory binding sites prediction in whole genome remains a challenge for the researchers. Now a days, the genome wide regulatory binding site prediction tools required either direct pattern…

Genomics · Quantitative Biology 2010-02-06 Chandra Prakash Singh , Feroz Khan , Sanjay Kumar Singh , Durg Singh Chauhan
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