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Methods for designing organic materials with desired properties have high potential impact across fields such as medicine, renewable energy, petrochemical engineering, and agriculture. However, using generative modeling to design substances…

Machine Learning · Computer Science 2021-08-24 Daniel Rothchild , Alex Tamkin , Julie Yu , Ujval Misra , Joseph Gonzalez

Survival analysis plays a vital role in making clinical decisions. However, the models currently in use are often difficult to interpret, which reduces their usefulness in clinical settings. Prototype learning presents a potential solution,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-08 Shuo Jiang , Zhuwen Chen , Liaoman Xu , Yanming Zhu , Changmiao Wang , Jiong Zhang , Feiwei Qin , Yifei Chen , Zhu Zhu

The ac4C modification on mRNA has been demonstrated to be associated with various diseases; however, its molecular mechanism remains unclear. The wet lab experiments produced relatively rough data, which lack precise ac4C modification…

Other Quantitative Biology · Quantitative Biology 2025-04-01 Li Yang , Dongbo Wang

Motivation: Driver (epi)genomic alterations underlie the positive selection of cancer subpopulations, which promotes drug resistance and relapse. Even though substantial heterogeneity is witnessed in most cancer types, mutation accumulation…

Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However, previous efforts like BioT5 faced challenges in…

Quantitative Methods · Quantitative Biology 2024-06-03 Qizhi Pei , Lijun Wu , Kaiyuan Gao , Xiaozhuan Liang , Yin Fang , Jinhua Zhu , Shufang Xie , Tao Qin , Rui Yan

We present ensemble methods in a machine learning (ML) framework combining predictions from five known motif/binding site exploration algorithms. For a given TF the ensemble starts with position weight matrices (PWM's) for the motif,…

Genomics · Quantitative Biology 2018-05-11 Yue Fan , Mark Kon , Charles DeLisi

Understanding how 5' untranslated regions (5'UTRs) regulate mRNA translation is critical for controlling protein expression and designing effective therapeutic mRNAs. While recent deep learning models have shown promise in predicting…

Quantitative Methods · Quantitative Biology 2026-02-27 Yuxi Lin , Yaxue Fang , Zehong Zhang , Zhouwu Liu , Siyun Zhong , Zhongfang Wang , Fulong Yu

Advances in image tampering techniques, particularly generative models, pose significant challenges to media verification, digital forensics, and public trust. Existing image forgery detection and localization (IFDL) methods suffer from two…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Zhou Liu , Tonghua Su , Hongshi Zhang , Fuxiang Yang , Donglin Di , Yang Song , Lei Fan

In the field of image-based drug discovery, capturing the phenotypic response of cells to various drug treatments and perturbations is a crucial step. However, existing methods require computationally extensive and complex multi-step…

Machine Learning · Computer Science 2025-02-28 Bo Li , Bob Zhang , Chengyang Zhang , Minghao Zhou , Weiliang Huang , Shihang Wang , Qing Wang , Mengran Li , Yong Zhang , Qianqian Song

An ensemble method that fuses the output decision vectors of multiple feedforward-designed convolutional neural networks (FF-CNNs) to solve the image classification problem is proposed in this work. To enhance the performance of the…

Computer Vision and Pattern Recognition · Computer Science 2019-01-09 Yueru Chen , Yijing Yang , Wei Wang , C. -C. Jay Kuo

Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular…

Computation and Language · Computer Science 2024-01-30 Qizhi Pei , Wei Zhang , Jinhua Zhu , Kehan Wu , Kaiyuan Gao , Lijun Wu , Yingce Xia , Rui Yan

We present FiFTy, a modern file type identification tool for memory forensics and data carving. In contrast to previous approaches based on hand-crafted features, we design a compact neural network architecture, which uses a trainable…

Cryptography and Security · Computer Science 2020-06-09 Govind Mittal , Pawel Korus , Nasir Memon

To interpret the genetic profile present in a patient sample, it is necessary to know which mutations have important roles in the development of the corresponding cancer type. Named entity recognition is a core step in the text mining…

Computation and Language · Computer Science 2021-06-16 Jiarun Cao , Elke M van Veen , Niels Peek , Andrew G Renehan , Sophia Ananiadou

Messenger RNA (mRNA)-based vaccines are accelerating the discovery of new drugs and revolutionizing the pharmaceutical industry. However, selecting particular mRNA sequences for vaccines and therapeutics from extensive mRNA libraries is…

Quantitative Methods · Quantitative Biology 2024-12-23 Honggen Zhang , Xiangrui Gao , June Zhang , Lipeng Lai

Transformer-based encoder-decoder models have demonstrated impressive results in chemical reaction prediction tasks. However, these models typically rely on pretraining using tens of millions of unlabelled molecules, which can be…

Computation and Language · Computer Science 2024-05-20 Jiayun Pang , Ivan Vulić

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Although DNA foundation models have advanced the understanding of genomes, they still face significant challenges in the limited scale and diversity of genomic data. This limitation starkly contrasts with the success of natural language…

Genomics · Quantitative Biology 2024-02-14 Huixin Zhan , Ying Nian Wu , Zijun Zhang

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our…

Thanks to the state-of-the-art Large Language Models (LLMs), language generation has reached outstanding levels. These models are capable of generating high quality content, thus making it a challenging task to detect generated text from…

Computation and Language · Computer Science 2023-10-27 Vijini Liyanage , Davide Buscaldi

Self-Explainable Models (SEMs) rely on Prototypical Concept Learning (PCL) to enable their visual recognition processes more interpretable, but they often struggle in data-scarce settings where insufficient training samples lead to…

Computer Vision and Pattern Recognition · Computer Science 2025-06-06 Zhong Ji , Rongshuai Wei , Jingren Liu , Yanwei Pang , Jungong Han
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