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Learning representations that transfer well to diverse downstream tasks remains a central challenge in representation learning. Existing paradigms -- contrastive learning, self-supervised masking, and denoising auto-encoders -- balance this…

Machine Learning · Computer Science 2025-09-29 Micha Livne

Drug discovery projects entail cycles of design, synthesis, and testing that yield a series of chemically related small molecules whose properties, such as binding affinity to a given target protein, are progressively tailored to a…

Machine Learning · Computer Science 2020-02-10 Paul Maragakis , Hunter Nisonoff , Brian Cole , David E. Shaw

Beta-turn prediction is useful in protein function studies and experimental design. Although recent approaches using machine-learning techniques such as SVM, neural networks, and K-NN have achieved good results for beta-turn pre-diction,…

Biomolecules · Quantitative Biology 2018-08-14 Chao Fang , Yi Shang , Dong Xu

Multimodal Large Language Models (MLLMs) demonstrate impressive cross-modal capabilities, yet their substantial size poses significant deployment challenges. Knowledge distillation (KD) is a promising solution for compressing these models,…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Lin Chen , Xiaoke Zhao , Kun Ding , Weiwei Feng , Changtao Miao , Zili Wang , Wenxuan Guo , Ying Wang , Kaiyuan Zheng , Bo Zhang , Zhe Li , Shiming Xiang

Multimodal fake news detection has garnered significant attention due to its profound implications for social security. While existing approaches have contributed to understanding cross-modal consistency, they often fail to leverage…

Machine Learning · Computer Science 2025-05-30 Tianlin Zhang , En Yu , Yi Shao , Jiande Sun

Multiplex Biological Networks (MBNs), which represent multiple interaction types between entities, are crucial for understanding complex biological systems. Yet, existing methods often inadequately model multiplexity, struggle to integrate…

Machine Learning · Computer Science 2026-03-10 Alana Deng , Sugitha Janarthanan , Yan Sun , Zihao Jing , Pingzhao Hu

The increasing volume of drug combinations in modern therapeutic regimens needs reliable methods for predicting drug-drug interactions (DDIs). While Large Language Models (LLMs) have revolutionized various domains, their potential in…

Machine Learning · Computer Science 2025-02-12 Gabriele De Vito , Filomena Ferrucci , Athanasios Angelakis

We argue that the estimation of mutual information between high dimensional continuous random variables can be achieved by gradient descent over neural networks. We present a Mutual Information Neural Estimator (MINE) that is linearly…

Drug combinations offer therapeutic benefits but also carry the risk of adverse drug-drug interactions (DDIs), especially under complex molecular structures. Accurate DDI event prediction requires capturing fine-grained inter-drug…

Machine Learning · Computer Science 2025-10-27 Xuan Lin , Aocheng Ding , Tengfei Ma , Hua Liang , Zhe Quan

Accurately predicting the likelihood of interaction between two objects (compound-protein sequence, user-item, author-paper, etc.) is a fundamental problem in Computer Science. Current deep-learning models rely on learning accurate…

Machine Learning · Computer Science 2022-12-23 Apurva Kalia , Dilip Krishnan , Soha Hassoun

Click-through rate (CTR) prediction models estimates the probability of a user-item click by modeling interactions across a vast feature space. A fundamental yet often overlooked challenge is the inherent heterogeneity of these features:…

Information Retrieval · Computer Science 2026-03-16 Yi Xu , Moyu Zhang , Chaofan Fan , Jinxin Hu , Yu Zhang , Xiaoyi Zeng

Cross-modal retrieval has drawn wide interest for retrieval across different modalities of data. However, existing methods based on DNN face the challenge of insufficient cross-modal training data, which limits the training effectiveness…

Multimedia · Computer Science 2017-08-16 Xin Huang , Yuxin Peng , Mingkuan Yuan

Dataset distillation (DD) aims to minimize the time and memory consumption needed for training deep neural networks on large datasets, by creating a smaller synthetic dataset that has similar performance to that of the full real dataset.…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Xinhao Zhong , Bin Chen , Hao Fang , Xulin Gu , Shu-Tao Xia , En-Hui Yang

Multi-task dense prediction aims to perform multiple pixel-level tasks simultaneously. However, capturing global cross-task interactions remains non-trivial due to the quadratic complexity of standard self-attention on high-resolution…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Chen Liu , Hengyu Man , Xiaopeng Fan , Debin Zhao

How and where proteins interface with one another can ultimately impact the proteins' functions along with a range of other biological processes. As such, precise computational methods for protein interface prediction (PIP) come highly…

Quantitative Methods · Quantitative Biology 2021-10-08 Alex Morehead , Chen Chen , Ada Sedova , Jianlin Cheng

Purpose: Deep learning methods have shown promising results in the segmentation, and detection of diseases in medical images. However, most methods are trained and tested on data from a single source, modality, organ, or disease type,…

Image and Video Processing · Electrical Eng. & Systems 2025-08-20 Nchongmaje Ndipenocha , Alina Mirona , Kezhi Wanga , Yongmin Li

CTR prediction, which aims to estimate the probability that a user will click an item, plays a crucial role in online advertising and recommender system. Feature interaction modeling based and user interest mining based methods are the two…

Information Retrieval · Computer Science 2021-06-09 Wei Guo , Rong Su , Renhao Tan , Huifeng Guo , Yingxue Zhang , Zhirong Liu , Ruiming Tang , Xiuqiang He

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong

Multi-task learning (MTL) is a powerful approach in deep learning that leverages the information from multiple tasks during training to improve model performance. In medical imaging, MTL has shown great potential to solve various tasks.…

Computer Vision and Pattern Recognition · Computer Science 2023-09-08 Sangwook Kim , Thomas G. Purdie , Chris McIntosh

Antibiotics are a vital class of drugs closely associated with the prevention and treatment of bacterial infections. Accurate prediction of molecular antimicrobial activity remains a key challenge in the pursuit of novel antibiotic…

Quantitative Methods · Quantitative Biology 2025-09-23 R. He
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