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In recent years, deep learning algorithms have outperformed the state-of-the art methods in several areas thanks to the efficient methods for training and for preventing overfitting, advancement in computer hardware, the availability of…

Quantitative Methods · Quantitative Biology 2017-05-30 Ahmet Sureyya Rifaioglu , Tunca Doğan , Maria Jesus Martin , Rengul Cetin-Atalay , Mehmet Volkan Atalay

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these…

Machine Learning · Computer Science 2022-01-10 Qiaoyu Tan , Ninghao Liu , Xiao Huang , Rui Chen , Soo-Hyun Choi , Xia Hu

Biomedical research increasingly relies on integrating diverse data modalities, including gene expression profiles, medical images, and clinical metadata. While medical images and clinical metadata are routinely collected in clinical…

Artificial Intelligence · Computer Science 2026-01-23 Francesca Pia Panaccione , Carlo Sgaravatti , Pietro Pinoli

Medicine is inherently a multimodal discipline. Medical images can reflect the pathological changes of cancer and tumors, while the expression of specific genes can influence their morphological characteristics. However, most deep learning…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Jiaying Zhou , Mingzhou Jiang , Junde Wu , Jiayuan Zhu , Ziyue Wang , Yueming Jin

Without knowledge of specific pockets, generating ligands based on the global structure of a protein target plays a crucial role in drug discovery as it helps reduce the search space for potential drug-like candidates in the pipeline.…

Biomolecules · Quantitative Biology 2023-10-02 Nhat Khang Ngo , Truong Son Hy

Multi-model inference covers a wide range of modern statistical applications such as variable selection, model confidence set, model averaging and variable importance. The performance of multi-model inference depends on the availability of…

Statistics Theory · Mathematics 2019-06-07 Ching-Wei Cheng , Guang Cheng

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

Genomics · Quantitative Biology 2024-01-25 Bingjun Li , Sheida Nabavi

We propose a genetic algorithm (GA) based method for modifying n-best lists produced by a machine translation (MT) system. Our method offers an innovative approach to improving MT quality and identifying weaknesses in evaluation metrics.…

Computation and Language · Computer Science 2023-06-01 Josef Jon , Ondřej Bojar

Multi-task learning (MTL) has become an essential machine learning tool for addressing multiple learning tasks simultaneously and has been effectively applied across fields such as healthcare, marketing, and biomedical research. However, to…

Machine Learning · Statistics 2025-06-02 Yang Sui , Qi Xu , Yang Bai , Annie Qu

The Maximum Common Edge Subgraph (MCES) problem is a crucial challenge with significant implications in domains such as biology and chemistry. Traditional approaches, which include transformations into max-clique and search-based…

Machine Learning · Computer Science 2026-04-01 Chaolong Ying , Yingqi Ruan , Xuemin Chen , Yaomin Wang , Tianshu Yu

Understanding and leveraging the 3D structures of proteins is central to a variety of biological and drug discovery tasks. While deep learning has been applied successfully for structure-based protein function prediction tasks, current…

Machine Learning · Computer Science 2024-04-03 Rong Han , Wenbing Huang , Lingxiao Luo , Xinyan Han , Jiaming Shen , Zhiqiang Zhang , Jun Zhou , Ting Chen

We propose a pre-training strategy called Multi-modal Multi-task Masked Autoencoders (MultiMAE). It differs from standard Masked Autoencoding in two key aspects: I) it can optionally accept additional modalities of information in the input…

Computer Vision and Pattern Recognition · Computer Science 2022-04-05 Roman Bachmann , David Mizrahi , Andrei Atanov , Amir Zamir

Genetic algorithm (GA) is a stochastic metaheuristic process consisting on the evolution of a population of candidate solutions for a given optimization problem. By extension, multipopulation genetic algorithm (MPGA) aims for efficiency by…

Neural and Evolutionary Computing · Computer Science 2018-06-07 Bruno Messias , Bruno W. D. Morais

Generative modeling has recently shown great promise in computer vision, but it has mostly focused on synthesizing visually realistic images. In this paper, motivated by multi-task learning of shareable feature representations, we consider…

Computer Vision and Pattern Recognition · Computer Science 2021-06-28 Zhipeng Bao , Martial Hebert , Yu-Xiong Wang

Genetic Algorithms (GAs) are known for their efficiency in solving combinatorial optimization problems, thanks to their ability to explore diverse solution spaces, handle various representations, exploit parallelism, preserve good…

Neural and Evolutionary Computing · Computer Science 2023-09-29 Majid Sohrabi , Amir M. Fathollahi-Fard , Vasilii A. Gromov

Task offloading and scheduling in Mobile Edge Computing (MEC) are vital for meeting the low-latency demands of modern IoT and dynamic task scheduling scenarios. MEC reduces the processing burden on resource-constrained devices by enabling…

Networking and Internet Architecture · Computer Science 2026-01-23 Arild Yonkeu , Mohammadreza Amini , Burak Kantarci

Massively multitask neural architectures provide a learning framework for drug discovery that synthesizes information from many distinct biological sources. To train these architectures at scale, we gather large amounts of data from public…

Machine Learning · Statistics 2015-02-10 Bharath Ramsundar , Steven Kearnes , Patrick Riley , Dale Webster , David Konerding , Vijay Pande

Background: Virtual Screening (VS) has become an essential tool in drug discovery, enabling the rapid and cost-effective identification of potential bioactive molecules. Among recent advancements, Graph Neural Networks (GNNs) have gained…

Quantitative Methods · Quantitative Biology 2025-10-27 Salvatore Contino , Paolo Sortino , Maria Rita Gulotta , Ugo Perricone , Roberto Pirrone

Predicting the interaction between a compound and a target is crucial for rapid drug repurposing. Deep learning has been successfully applied in drug-target affinity (DTA) problem. However, previous deep learning-based methods ignore…

Machine Learning · Computer Science 2020-09-29 Tri Minh Nguyen , Thin Nguyen , Thao Minh Le , Truyen Tran

Molecular graph representation learning is widely used in chemical and biomedical research. While pre-trained 2D graph encoders have demonstrated strong performance, they overlook the rich molecular domain knowledge associated with…

Machine Learning · Computer Science 2025-10-09 Xingtong Yu , Chang Zhou , Xinming Zhang , Yuan Fang