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Retrosynthesis is a problem to infer reactant compounds to synthesize a given product compound through chemical reactions. Recent studies on retrosynthesis focus on proposing more sophisticated prediction models, but the dataset to feed the…

Machine Learning · Computer Science 2020-10-05 Katsuhiko Ishiguro , Kazuya Ujihara , Ryohto Sawada , Hirotaka Akita , Masaaki Kotera

Sequence alignment supports numerous tasks in bioinformatics, natural language processing, pattern recognition, social sciences, and others fields. While the alignment of two sequences may be performed swiftly in many applications, the…

Data Structures and Algorithms · Computer Science 2021-12-06 Eloi Araujo , Luiz Rozante , Diego P. Rubert , Fabio V. Martinez

Data augmentation is one of the most popular techniques for improving the robustness of neural networks. In addition to directly training the model with original samples and augmented samples, a torrent of methods regularizing the distance…

Machine Learning · Computer Science 2020-11-30 Haohan Wang , Zeyi Huang , Xindi Wu , Eric P. Xing

How should researchers analyze randomized experiments in which the main outcome is latent and measured in multiple ways but each measure contains some degree of error? We first identify a critical study-specific noncomparability problem in…

Econometrics · Economics 2026-01-13 Jiawei Fu , Donald P. Green

Whole transcriptome sequencing is increasingly being used as a functional genomics tool to study non- model organisms. However, when the reference transcriptome used to calculate differential expression is incomplete, significant error in…

Genomics · Quantitative Biology 2013-03-12 Alexis Black Pyrkosz , Hans Cheng , C. Titus Brown

This study evaluates the concordance between RNA sequencing (RNA-Seq) and NanoString technologies for gene expression analysis in non-human primates (NHPs) infected with Ebola virus (EBOV). We performed a detailed comparison of both…

Genomics · Quantitative Biology 2024-11-01 Mostafa Rezapour , Aarthi Narayanan , Wyatt H. Mowery , Metin Nafi Gurcan

Standard statistical techniques often require transforming data to have mean $0$ and standard deviation $1$. Typically, this process of "standardization" or "normalization" is applied across subjects when each subject produces a single…

Statistics Theory · Mathematics 2013-12-12 Richard A. Olshen , Bala Rajaratnam

Complex statistical models such as scalar-on-image regression often require strong assumptions to overcome the issue of non-identifiability. While in theory it is well understood that model assumptions can strongly influence the results,…

Methodology · Statistics 2020-05-04 Clara Happ , Sonja Greven , Volker J. Schmid

Studies using assays to quantify the expression of thousands of genes on tens to thousands of cell samples have been carried out for over 20 years. Such assays are based on microarrays, DNA sequencing or other molecular technologies. All…

Statistics Theory · Mathematics 2025-06-18 Jiming Jiang , Johann A. Gagnon-Bartsch , Terence P. Speed

It is quite common in modern research, for a researcher to test many hypotheses. The statistical (frequentist) hypothesis testing framework, does not scale with the number of hypotheses in the sense that naively performing many hypothesis…

Methodology · Statistics 2013-06-26 Jonathan Rosenblatt

This paper identifies a problem with the usual procedure for L2-regularization parameter estimation in a domain adaptation setting. In such a setting, there are differences between the distributions generating the training data (source…

Machine Learning · Computer Science 2018-04-23 Wouter M. Kouw , Marco Loog

Randomized clinical trials are the gold standard when estimating the average treatment effect. However, they are usually not a random sample from the real-world population because of the inclusion/exclusion rules. Meanwhile, observational…

Methodology · Statistics 2024-12-11 Kuan Jiang , Wenjie Hu , Shu Yang , Xinxing Lai , Xiaohua Zhou

In physics one attempts to infer the rules governing a system given only the results of imperfect measurements. Hence, microscopic theories may be effectively indistinguishable experimentally. We develop an operationally motivated procedure…

Quantum Physics · Physics 2015-08-07 Cédric Bény , Tobias J. Osborne

We study regression adjustment with general function class approximations for estimating the average treatment effect in the design-based setting. Standard regression adjustment involves bias due to sample re-use, and this bias leads to…

Methodology · Statistics 2023-11-17 Fangzhou Su , Wenlong Mou , Peng Ding , Martin J. Wainwright

Testing hypotheses is an issue of primary importance in the scientific research, as well as in many other human activities. Much clarification about it can be achieved if the process of learning from data is framed in a stochastic model of…

Data Analysis, Statistics and Probability · Physics 2007-05-23 G. D'Agostini

Statistical significance testing of differences in values of metrics like recall, precision and balanced F-score is a necessary part of empirical natural language processing. Unfortunately, we find in a set of experiments that many commonly…

Computation and Language · Computer Science 2007-05-23 Alexander Yeh

The confusion matrix is a standard tool for evaluating classifiers by providing insights into class-level errors. In heterogeneous settings, its values are shaped by two main factors: class similarity -- how easily the model confuses two…

Machine Learning · Computer Science 2026-03-31 Johan Erbani , Pierre-Edouard Portier , Elod Egyed-Zsigmond , Sonia Ben Mokhtar , Diana Nurbakova

Calculation of the log-normalizer is a major computational obstacle in applications of log-linear models with large output spaces. The problem of fast normalizer computation has therefore attracted significant attention in the theoretical…

Machine Learning · Statistics 2015-06-19 Jacob Andreas , Maxim Rabinovich , Dan Klein , Michael I. Jordan

Standardization, a common approach for controlling confounding in population-studies or data from disease registries, is defined to be a weighted average of stratum specific rates. Typically, discussions on the construction of a particular…

Applications · Statistics 2008-11-13 Steven D. Mark

The use of deep learning models in computational biology has increased massively in recent years, and it is expected to continue with the current advances in the fields such as Natural Language Processing. These models, although able to…