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The defect morphology is an essential aspect of the evolution of crystals' microstructure and its response to stress. Existing methods either only report defect concentration or characterize only some of the defect morphologies. The need…

Computational Physics · Physics 2021-04-21 Utkarsh Bhardwaj , Andrea E. Sand , Manoj Warrier

Combinatorial group testing (CGT) is used to identify defective items from a set of items by grouping them together and performing a small number of tests on the groups. Recently, group testing has been used to design efficient COVID-19…

Discrete Mathematics · Computer Science 2022-11-02 Thais Bardini Idalino , Lucia Moura

The open-world test dataset is often mixed with out-of-distribution (OOD) samples, where the deployed models will struggle to make accurate predictions. Traditional detection methods need to trade off OOD detection and in-distribution (ID)…

Machine Learning · Computer Science 2024-04-25 Xu Shen , Yili Wang , Kaixiong Zhou , Shirui Pan , Xin Wang

Predicting drug-gene associations is crucial for drug development and disease treatment. While graph neural networks (GNN) have shown effectiveness in this task, they face challenges with data sparsity and efficient contrastive learning…

Machine Learning · Computer Science 2025-02-14 Jiayang Wu , Wensheng Gan , Philip S. Yu

The study in group testing aims to develop strategies to identify a small set of defective items among a large population using a few pooled tests. The established techniques have been highly beneficial in a broad spectrum of applications…

Information Theory · Computer Science 2025-01-23 Venkata Gandikota , Nikita Polyanskii , Haodong Yang

Trapped by the label scarcity in molecular property prediction and drug design, graph contrastive learning (GCL) came forward. Leading contrastive learning works show two kinds of view generators, that is, random or learnable data…

Machine Learning · Computer Science 2025-01-16 Xueyuan Chen , Shangzhe Li , Ruomei Liu , Bowen Shi , Jiaheng Liu , Junran Wu , Ke Xu

We study the problem of detecting adverse drug events in electronic healthcare records. The challenge in this work is to aggregate heterogeneous data types involving diagnosis codes, drug codes, as well as lab measurements. An earlier…

Machine Learning · Computer Science 2019-07-16 Maria Bampa , Panagiotis Papapetrou

This work discusses the use of contrastive learning and deep learning for diagnosing cardiovascular diseases from electrocardiography (ECG) signals. While the ECG signals usually contain 12 leads (channels), many healthcare facilities and…

Signal Processing · Electrical Eng. & Systems 2023-04-24 Tue M. Cao , Nhat H. Tran , Phi Le Nguyen , Hieu Pham

Characterization of a patient clinical phenotype is central to biomedical informatics. ICD codes, assigned to inpatient encounters by coders, is important for population health and cohort discovery when clinical information is limited.…

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He

Drug combinations can cause adverse drug-drug interactions(DDIs). Identifying specific effects is crucial for developing safer therapies. Previous works on DDI event prediction have typically been limited to using labels of specific events…

Biomolecules · Quantitative Biology 2024-11-05 Yingying Wang , Yun Xiong , Xixi Wu , Xiangguo Sun , Jiawei Zhang

In this study, we intend to solve a mutual information problem in interacting molecules of any type, such as proteins, nucleic acids, and small molecules. Using machine learning techniques, we accurately predict pairwise interactions, which…

Machine Learning · Statistics 2016-01-28 Andrew Schaumberg , Angela Yu , Tatsuhiro Koshi , Xiaochan Zong , Santoshkalyan Rayadhurgam

We consider a generalization of group testing where the potentially contaminated sets are the members of a given hypergraph ${\cal F}=(V,E)$. This generalization finds application in contexts where contaminations can be conditioned by some…

Data Structures and Algorithms · Computer Science 2023-11-28 Annalisa De Bonis

Therapeutic antibody candidates often require extensive engineering to improve key functional and developability properties before clinical development. This can be achieved through iterative design, where starting molecules are optimized…

Machine Learning · Computer Science 2025-09-23 Aniruddh Raghu , Sebastian Ober , Maxwell Kazman , Hunter Elliott

We propose a new framework for designing test and query functions for complex structures that vary across a given parameter such as genetic marker position. The operations we are interested in include equality testing, set operations,…

Data Structures and Algorithms · Computer Science 2013-02-20 Hoyt Koepke , Elizabeth Thompson

Combination therapy has shown to improve therapeutic efficacy while reducing side effects. Importantly, it has become an indispensable strategy to overcome resistance in antibiotics, anti-microbials, and anti-cancer drugs. Facing enormous…

Molecular Networks · Quantitative Biology 2020-04-24 Mostafa Karimi , Arman Hasanzadeh , Yang shen

The International Classification of Diseases (ICD) is an authoritative medical classification system of different diseases and conditions for clinical and management purposes. ICD indexing assigns a subset of ICD codes to a medical record.…

Computation and Language · Computer Science 2024-05-30 Xindi Wang , Robert E. Mercer , Frank Rudzicz

In the long-studied problem of combinatorial group testing, one is asked to detect a set of $k$ defective items out of a population of size $n$, using $m \ll n$ disjunctive measurements. In the non-adaptive setting, the most widely used…

Information Theory · Computer Science 2020-09-28 Mahdi Cheraghchi , Vasileios Nakos

In applications of group testing in networks, e.g. identifying individuals who are infected by a disease spread over a network, exploiting correlation among network nodes provides fundamental opportunities in reducing the number of tests…

Information Theory · Computer Science 2023-03-21 Hesam Nikpey , Jungyeol Kim , Xingran Chen , Saswati Sarkar , Shirin Saeedi Bidokhti

Gene-disease associations are fundamental for understanding disease etiology and developing effective interventions and treatments. Identifying genes not yet associated with a disease due to a lack of studies is a challenging task in which…

Machine Learning · Computer Science 2023-03-08 Paola Stolfi , Andrea Mastropietro , Giuseppe Pasculli , Paolo Tieri , Davide Vergni
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