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Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial…

生物大分子 · 定量生物学 2023-02-02 Masatsugu Yamada , Mahito Sugiyama

We consider the problem of group testing (pooled testing), first introduced by Dorfman. For non-adaptive testing strategies, we refer to a non-defective item as `intruding' if it only appears in positive tests. Such items cause…

概率论 · 数学 2023-09-19 Letian Yu , Fraser Daly , Oliver Johnson

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

定量方法 · 定量生物学 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

In network tomography, one goal is to identify a small set of failed links in a network, by sending a few packets through the network and seeing which reach their destination. This problem can be seen as a variant of combinatorial group…

信息论 · 计算机科学 2018-09-12 Bruce Spang , Mary Wootters

Genetic risk prediction is an important component of individualized medicine, but prediction accuracies remain low for many complex diseases. A fundamental limitation is the sample sizes of the studies on which the prediction algorithms are…

统计方法学 · 统计学 2017-06-20 Sihai Dave Zhao

A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property, where design of novel drugs is an important topic in bioinformatics and chemo-informatics. The…

International Classification of Diseases (ICD) are the de facto codes used globally for clinical coding. These codes enable healthcare providers to claim reimbursement and facilitate efficient storage and retrieval of diagnostic…

计算与语言 · 计算机科学 2022-02-22 Pavithra Rajendran , Alexandros Zenonos , Josh Spear , Rebecca Pope

We study Probabilistic Group Testing of a set of N items each of which is defective with probability p. We focus on the double limit of small defect probability, p<<1, and large number of variables, N>>1, taking either p->0 after…

数据结构与算法 · 计算机科学 2007-11-14 Marc Mezard , Cristina Toninelli

Knowledge Graphs have been one of the fundamental methods for integrating heterogeneous data sources. Integrating heterogeneous data sources is crucial, especially in the biomedical domain, where central data-driven tasks such as drug…

机器学习 · 计算机科学 2020-12-22 Islam Akef Ebeid , Majdi Hassan , Tingyi Wanyan , Jack Roper , Abhik Seal , Ying Ding

Group testing (GT) is the art of identifying binary signals and the marketplace for exchanging new ideas for related fields such as unique-element counting, compressed sensing, traitor tracing, and geno-typing. A GT scheme can be…

信息论 · 计算机科学 2024-05-28 Hsin-Po Wang , Venkatesan Guruswami

Assessing risk of cascading failure in an electrical grid requires identifying many small "defective" subsets of the N elements in a power system, such that the simultaneous failure of all elements in a defective set triggers a large…

物理与社会 · 物理学 2019-09-11 Laurence A. Clarfeld , Margaret J. Eppstein

Understanding disease similarity is critical for advancing diagnostics, drug discovery, and personalized treatment strategies. We present PhenoGnet, a novel graph-based contrastive learning framework designed to predict disease similarity…

基因组学 · 定量生物学 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

机器学习 · 计算机科学 2023-06-28 Haitz Sáez de Ocáriz Borde , Anees Kazi , Federico Barbero , Pietro Liò

In this work we propose a graph-based model that, utilizing relations between groups of System-calls, distinguishes malicious from benign software samples and classifies the detected malicious samples to one of a set of known malware…

密码学与安全 · 计算机科学 2018-12-31 Anna Mpanti , Stavros D. Nikolopoulos , Iosif Polenakis

Developing interpretable models for neurodevelopmental disorders (NDDs) diagnosis presents significant challenges in effectively encoding, decoding, and integrating multimodal neuroimaging data. While many existing machine learning…

计算机视觉与模式识别 · 计算机科学 2026-04-24 Yueyang Li , Lei Chen , Wenhao Dong , Shengyu Gong , Zijian Kang , Boyang Wei , Weiming Zeng , Hongjie Yan , Lingbin Bian , Zhiguo Zhang , Wai Ting Siok , Nizhuan Wang

Given $d$ defective items in a population of $n$ items with $d \ll n$, in threshold group testing without gap, the outcome of a test on a subset of items is positive if the subset has at least $u$ defective items and negative otherwise,…

信息论 · 计算机科学 2024-05-10 Thach V. Bui , Yeow Meng Chee , Van Khu Vu

Many questions in science center around the fundamental problem of understanding causal relationships. However, most constraint-based causal discovery algorithms, including the well-celebrated PC algorithm, often incur an exponential number…

机器学习 · 计算机科学 2024-06-05 Kirankumar Shiragur , Jiaqi Zhang , Caroline Uhler

We study group-testing algorithms for resolving broadcast conflicts on a multiple access channel (MAC) and for identifying the dead sensors in a mobile ad hoc wireless network. In group-testing algorithms, we are asked to identify all the…

数据结构与算法 · 计算机科学 2009-05-13 Michael T. Goodrich , Daniel S. Hirschberg

Imbalanced Domain Generalization (IDG) focuses on mitigating both domain and label shifts, both of which fundamentally shape the model's decision boundaries, particularly under heterogeneous long-tailed distributions across domains. Despite…

机器学习 · 计算机科学 2026-01-30 Meng Cao , Jiexi Liu , Songcan Chen

Many network applications can be formulated as NP-hard combinatorial optimization problems of community detection (CD). Due to the NP-hardness, to balance the CD quality and efficiency remains a challenge. Most existing CD methods are…

社会与信息网络 · 计算机科学 2022-09-30 Meng Qin , Chaorui Zhang , Bo Bai , Gong Zhang , Dit-Yan Yeung