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Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

Learning Electronic Health Records (EHRs) representation is a preeminent yet under-discovered research topic. It benefits various clinical decision support applications, e.g., medication outcome prediction or patient similarity search.…

Machine Learning · Computer Science 2024-02-22 Hao-Ren Yao , Nairen Cao , Katina Russell , Der-Chen Chang , Ophir Frieder , Jeremy Fineman

In order to survive, reproduce and (in multicellular organisms) differentiate, cells must control the concentrations of the myriad different proteins that are encoded in the genome. The precision of this control is limited by the inevitable…

Molecular Networks · Quantitative Biology 2013-08-01 Gasper Tkacik , Aleksandra M. Walczak , William Bialek

Motivation: The scalable identification of bioactive compounds is essential for contemporary drug discovery. This process faces a key trade-off: structural screening offers scalability but lacks biological context, whereas high-content…

Quantitative Methods · Quantitative Biology 2026-03-17 Xiaoqing Lian , Pengsen Ma , Tengfeng Ma , Zhonghao Ren , Xibao Cai , Zhixiang Cheng , Bosheng Song , He Wang , Xiang Pan , Yangyang Chen , Sisi Yuan , Chen Lin

The study of the fundamental limits of information systems is a central theme in information theory. Both the traditional analytical approach and the recently proposed computational approach have significant limitations, where the former is…

Information Theory · Computer Science 2022-05-04 Wenjing Chen , Chao Tian

High-throughput screening techniques are commonly used to obtain large quantities of data in many fields of biology. It is well known that artifacts arising from variability in the technical execution of different experimental batches…

Developing an understanding of high-dimensional data can be facilitated by visualizing that data using dimensionality reduction. However, the low-dimensional embeddings are often difficult to interpret. To facilitate the exploration and…

Machine Learning · Computer Science 2025-04-16 Fuyin Lai , Edith Heiter , Guillaume Bied , Jefrey Lijffijt

With the surge in available data from various modalities, there is a growing need to bridge the gap between different data types. In this work, we introduce a novel approach to learn cross-modal representations between image data and…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Watkinson Gabriel , Cohen Ethan , Bourriez Nicolas , Bendidi Ihab , Bollot Guillaume , Genovesio Auguste

Existing research on multimodal relation extraction (MRE) faces two co-existing challenges, internal-information over-utilization and external-information under-exploitation. To combat that, we propose a novel framework that simultaneously…

Computer Vision and Pattern Recognition · Computer Science 2023-05-26 Shengqiong Wu , Hao Fei , Yixin Cao , Lidong Bing , Tat-Seng Chua

Learning disentangled representation from any unlabelled data is a non-trivial problem. In this paper we propose Information Maximising Autoencoder (InfoAE) where the encoder learns powerful disentangled representation through maximizing…

Machine Learning · Computer Science 2019-04-19 Kazi Nazmul Haque , Siddique Latif , Rajib Rana

With the advancement of high-throughput biotechnologies, we increasingly accumulate biomedical data about diseases, especially cancer. There is a need for computational models and methods to sift through, integrate, and extract new…

Quantitative Methods · Quantitative Biology 2020-07-03 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

A framework is presented for unsupervised learning of representations based on infomax principle for large-scale neural populations. We use an asymptotic approximation to the Shannon's mutual information for a large neural population to…

Machine Learning · Computer Science 2017-03-13 Wentao Huang , Kechen Zhang

We study submodular information measures as a rich framework for generic, query-focused, privacy sensitive, and update summarization tasks. While past work generally treats these problems differently ({\em e.g.}, different models are often…

Machine Learning · Computer Science 2020-10-13 Vishal Kaushal , Suraj Kothawade , Ganesh Ramakrishnan , Jeff Bilmes , Himanshu Asnani , Rishabh Iyer

When the number of features exponentially outnumbers the number of samples, feature screening plays a pivotal role in reducing the dimension of the feature space and developing models based on such data. While most extant feature screening…

Methodology · Statistics 2019-11-19 Randall Reese

Information fusion is used widely to improve document classification by the integration of multiple data sources (multimodal) or representations (multiview). However, the field lacks a unified framework, a quantitative synthesis of its…

Computation and Language · Computer Science 2026-05-27 Marcin Michał Mirończuk

Detecting predictive biomarkers from multi-omics data is important for precision medicine, to improve diagnostics of complex diseases and for better treatments. This needs substantial experimental efforts that are made difficult by the…

Quantitative Methods · Quantitative Biology 2021-06-08 Betül Güvenç Paltun , Samuel Kaski , Hiroshi Mamitsuka

Distinct from attention-based compression methods, this paper presents an information uniqueness driven video compression framework, termed UniComp, which aims to maximize the information fidelity of video representations under constrained…

Computer Vision and Pattern Recognition · Computer Science 2026-03-06 Chao Yuan , Shimin Chen , Minliang Lin , Limeng Qiao , Guanglu Wan , Lin Ma

With distributed machine learning being a prominent technique for large-scale machine learning tasks, communication complexity has become a major bottleneck for speeding up training and scaling up machine numbers. In this paper, we propose…

Machine Learning · Computer Science 2023-09-26 Pengyun Yue , Hanzhen Zhao , Cong Fang , Di He , Liwei Wang , Zhouchen Lin , Song-chun Zhu

ICORE is a command-line driven co-addition, mosaicking and resolution enhancement (HiRes) tool for creating science quality products from image data in FITS format and with World Coordinate System information following the FITS-WCS…

Instrumentation and Methods for Astrophysics · Physics 2013-05-16 Frank Masci

Precise environmental perception is critical for the reliability of autonomous driving systems. While collaborative perception mitigates the limitations of single-agent perception through information sharing, it encounters a fundamental…

Artificial Intelligence · Computer Science 2025-12-12 Quanmin Wei , Penglin Dai , Wei Li , Bingyi Liu , Xiao Wu