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Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yielding sample efficiency essential. Additionally, surrogate…

Classical supervised classification tasks search for a nonlinear mapping that maps each encoded feature directly to a probability mass over the labels. Such a learning framework typically lacks the intuition that encoded features from the…

Computer Vision and Pattern Recognition · Computer Science 2020-06-11 Cat P. Le , Yi Zhou , Jie Ding , Vahid Tarokh

This paper investigates the accuracy of bootstrap-based inference in the case of long memory fractionally integrated processes. The re-sampling method is based on the semi-parametric sieve approach, whereby the dynamics in the process used…

Methodology · Statistics 2016-03-08 D. S. Poskitt , Simone D. Grose , Gael M. Martin

In order to overcome the limitations imposed by DNA barcoding when multiplexing a large number of samples in the current generation of high-throughput sequencing instruments, we have recently proposed a new protocol that leverages advances…

Quantitative Methods · Quantitative Biology 2013-08-02 Denisa Duma , Mary Wootters , Anna C. Gilbert , Hung Q. Ngo , Atri Rudra , Matthew Alpert , Timothy J. Close , Gianfranco Ciardo , Stefano Lonardi

Protein quality assessment (QA) has played an important role in protein structure prediction. We developed a novel single-model quality assessment method - Qprob. Qprob calculates the absolute error for each protein feature value against…

Quantitative Methods · Quantitative Biology 2016-07-15 Renzhi Cao , Jianlin Cheng

A widely used approach for extracting information from gene expression data employ the construction of a gene co-expression network and the subsequent application of algorithms that discover network structure. In particular, a common goal…

Genomics · Quantitative Biology 2024-08-20 Niloofar Aghaieabiane , Ioannis Koutis

Maximum likelihood estimation of mixture proportions has a long history, and continues to play an important role in modern statistics, including in development of nonparametric empirical Bayes methods. Maximum likelihood of mixture…

Computation · Statistics 2020-12-10 Youngseok Kim , Peter Carbonetto , Matthew Stephens , Mihai Anitescu

High throughput technologies have become the practice of choice for comparative studies in biomedical applications. Limited number of sample points due to sequencing cost or access to organisms of interest necessitates the development of…

Methodology · Statistics 2018-07-17 Ariana Broumand , Siamak Zamani Dadaneh

This paper presents a methodology for using varying sample sizes in sequential quadratic programming (SQP) methods for solving equality constrained stochastic optimization problems. The first part of the paper deals with the delicate issue…

Optimization and Control · Mathematics 2023-03-23 Albert S. Berahas , Raghu Bollapragada , Baoyu Zhou

Deep neuroevolution, that is evolutionary policy search methods based on deep neural networks, have recently emerged as a competitor to deep reinforcement learning algorithms due to their better parallelization capabilities. However, these…

Machine Learning · Computer Science 2018-08-20 Aloïs Pourchot , Nicolas Perrin , Olivier Sigaud

Acquiring genomes at single-cell resolution has many applications such as in the study of microbiota. However, deep sequencing and assembly of all of millions of cells in a sample is prohibitively costly. A property that can come to rescue…

Genomics · Quantitative Biology 2014-04-29 Zeinab Taghavi

For unsupervised data-dependent hashing, the two most important requirements are to preserve similarity in the low-dimensional feature space and to minimize the binary quantization loss. A well-established hashing approach is Iterative…

Computer Vision and Pattern Recognition · Computer Science 2019-11-14 Tuan Hoang , Thanh-Toan Do , Huu Le , Dang-Khoa Le-Tan , Ngai-Man Cheung

Identification of biomarkers is an emerging area in Oncology. In this article, we develop an efficient statistical procedure for classification of protein markers according to their effect on cancer progression. A high-dimensional…

Applications · Statistics 2021-01-08 Souvik Banerjee , Gajendra K. Vishwakarma , Atanu Bhattacharjee

Few Bayesian methods for analyzing high-dimensional sparse survival data provide scalable variable selection, effect estimation and uncertainty quantification. Such methods often either sacrifice uncertainty quantification by computing…

Methodology · Statistics 2022-07-06 Michael Komodromos , Eric Aboagye , Marina Evangelou , Sarah Filippi , Kolyan Ray

During their evolution, proteins explore sequence space via an interplay between random mutations and phenotypic selection. Here we build upon recent progress in reconstructing data-driven fitness landscapes for families of homologous…

Biomolecules · Quantitative Biology 2022-01-28 Matteo Bisardi , Juan Rodriguez-Rivas , Francesco Zamponi , Martin Weigt

A case-cohort design is a two-phase sampling design frequently used to analyze censored survival data in a cost-effective way, where a subcohort is usually selected using simple random sampling or stratified simple random sampling. In this…

Methodology · Statistics 2024-11-06 Kaeum Choi , Sangwook Kang

Characterizing quantum processes is essential for unlocking the potential of quantum devices. However, standard quantum process tomography is resource-intensive and becomes infeasible on large-scale systems. Despite alternative approaches…

Quantum Physics · Physics 2026-02-24 Hao Zhan , Zongbo Bao , Zekun Ye , Qianyi Wang , Minghao Mi , Penghui Yao , Lijian Zhang

Genomic surveillance of infectious diseases allows monitoring circulating and emerging variants and quantifying their epidemic potential. However, due to the high costs associated with genomic sequencing, only a limited number of samples…

The effectiveness of the machine learning methods for real-world tasks depends on the proper structure of the modeling pipeline. The proposed approach is aimed to automate the design of composite machine learning pipelines, which is…

We develop a path-based approach to continuous-time random walks on networks with arbitrarily weighted edges. We describe an efficient numerical algorithm for calculating statistical properties of the stochastic path ensemble. After…

Populations and Evolution · Quantitative Biology 2014-08-19 Michael Manhart , Alexandre V. Morozov