I study the minimax-optimal design for a two-arm controlled experiment where conditional mean outcomes may vary in a given set. When this set is permutation symmetric, the optimal design is complete randomization, and using a single partition (i.e., the design that only randomizes the treatment labels for each side of the partition) has minimax risk larger by a factor of $n-1$. More generally, the optimal design is shown to be the mixed-strategy optimal design (MSOD) of Kallus (2018). Notably, even when the set of conditional mean outcomes has structure (i.e., is not permutation symmetric), being minimax-optimal for variance still requires randomization beyond a single partition. Nonetheless, since this targets precision, it may still not ensure sufficient uniformity in randomization to enable randomization (i.e., design-based) inference by Fisher's exact test to appropriately detect violations of null. I therefore propose the inference-constrained MSOD, which is minimax-optimal among all designs subject to such uniformity constraints. On the way, I discuss Johansson et al. (2020) who recently compared rerandomization of Morgan and Rubin (2012) and the pure-strategy optimal design (PSOD) of Kallus (2018). I point out some errors therein and set straight that randomization is minimax-optimal and that the "no free lunch" theorem and example in Kallus (2018) are correct.

Current explanation techniques towards a transparent Convolutional Neural Network (CNN) mainly focuses on building connections between the human-understandable input features with models' prediction, overlooking an alternative representation of the input, the frequency components decomposition. In this work, we present an analysis of the connection between the distribution of frequency components in the input dataset and the reasoning process the model learns from the data. We further provide quantification analysis about the contribution of different frequency components toward the model's prediction. We show that the vulnerability of the model against tiny distortions is a result of the model is relying on the high-frequency features, the target features of the adversarial (black and white-box) attackers, to make the prediction. We further show that if the model develops stronger association between the low-frequency component with true labels, the model is more robust, which is the explanation of why adversarially trained models are more robust against tiny distortions.

Crowdsourcing is a popular approach to collect annotations for unlabeled data instances. It involves collecting a large number of annotations from several, often naive untrained annotators for each data instance which are then combined to estimate the ground truth. Further, annotations for constructs such as affect are often multi-dimensional with annotators rating multiple dimensions, such as valence and arousal, for each instance. Most annotation fusion schemes however ignore this aspect and model each dimension separately. In this work we address this by proposing a generative model for multi-dimensional annotation fusion, which models the dimensions jointly leading to more accurate ground truth estimates. The model we propose is applicable to both global and time series annotation fusion problems and treats the ground truth as a latent variable distorted by the annotators. The model parameters are estimated using the Expectation-Maximization algorithm and we evaluate its performance using synthetic data and real emotion corpora as well as on an artificial task with human annotations

An important component of every country's COVID-19 response is fast and efficient testing -- to identify and isolate cases, as well as for early detection of local hotspots. For many countries, producing a sufficient number of tests has been a serious limiting factor in their efforts to control COVID-19 infections. Group testing is a well-established mathematical tool, which can provide a serious and rapid improvement to this situation. In this note, we compare several well-established group testing schemes in the context of qPCR testing for COVID-19. We include example calculations, where we indicate which testing architectures yield the greatest efficiency gains in various settings. We find that for identification of individuals with COVID-19, array testing is usually the best choice, while for estimation of COVID-19 prevalence rates in the total population, Gibbs-Gower testing usually provides the most accurate estimates given a fixed and relatively small number of tests. This note is intended as a helpful handbook for labs implementing group testing methods.

Effective property prediction methods can help accelerate the search for COVID-19 antivirals either through accurate in-silico screens or by effectively guiding on-going at-scale experimental efforts. However, existing prediction tools have limited ability to accommodate scarce or fragmented training data currently available. In this paper, we introduce a novel approach to learn predictors that can generalize or extrapolate beyond the heterogeneous data. Our method builds on and extends recently proposed invariant risk minimization, adaptively forcing the predictor to avoid nuisance variation. We achieve this by continually exercising and manipulating latent representations of molecules to highlight undesirable variation to the predictor. To test the method we use a combination of three data sources: SARS-CoV-2 antiviral screening data, molecular fragments that bind to SARS-CoV-2 main protease and large screening data for SARS-CoV-1. Our predictor outperforms state-of-the-art transfer learning methods by significant margin. We also report the top 20 predictions of our model on Broad drug repurposing hub.

Sparse estimation via penalized likelihood (PL) is now a popular approach to learn the associations among a large set of variables. This paper describes an R package called lslx that implements PL methods for semi-confirmatory structural equation modeling (SEM). In this semi-confirmatory approach, each model parameter can be specified as free/fixed for theory testing, or penalized for exploration. By incorporating either a L1 or minimax concave penalty, the sparsity pattern of the parameter matrix can be efficiently explored. Package lslx minimizes the PL criterion through a quasi-Newton method. The algorithm conducts line search and checks the first-order condition in each iteration to ensure the optimality of the obtained solution. A numerical comparison between competing packages shows that lslx can reliably find PL estimates with the least time. The current package also supports other advanced functionalities, including a two-stage method with auxiliary variables for missing data handling and a reparameterized multi-group SEM to explore population heterogeneity.

This paper introduces the funData R package as an object-oriented implementation of functional data. It implements a unified framework for dense univariate and multivariate functional data on one- and higher dimensional domains as well as for irregular functional data. The aim of this package is to provide a user-friendly, self-contained core toolbox for functional data, including important functionalities for creating, accessing and modifying functional data objects, that can serve as a basis for other packages. The package further contains a full simulation toolbox, which is a useful feature when implementing and testing new methodological developments. Based on the theory of object-oriented data analysis, it is shown why it is natural to implement functional data in an object-oriented manner. The classes and methods provided by funData are illustrated in many examples using two freely available datasets. The MFPCA package, which implements multivariate functional principal component analysis, is presented as an example for an advanced methodological package that uses the funData package as a basis, including a case study with real data. Both packages are publicly available on GitHub and the Comprehensive R Archive Network.

The R package mvord implements composite likelihood estimation in the class of multivariate ordinal regression models with a multivariate probit and a multivariate logit link. A flexible modeling framework for multiple ordinal measurements on the same subject is set up, which takes into consideration the dependence among the multiple observations by employing different error structures. Heterogeneity in the error structure across the subjects can be accounted for by the package, which allows for covariate dependent error structures. In addition, different regression coefficients and threshold parameters for each response are supported. If a reduction of the parameter space is desired, constraints on the threshold as well as on the regression coefficients can be specified by the user. The proposed multivariate framework is illustrated by means of a credit risk application.

An R package for computing the all-subsets regression problem is presented. The proposed algorithms are based on computational strategies recently developed. A novel algorithm for the best-subset regression problem selects subset models based on a predetermined criterion. The package user can choose from exact and from approximation algorithms. The core of the package is written in C++ and provides an efficient implementation of all the underlying numerical computations. A case study and benchmark results illustrate the usage and the computational efficiency of the package.

Manifold optimization appears in a wide variety of computational problems in the applied sciences. In recent statistical methodologies such as sufficient dimension reduction and regression envelopes, estimation relies on the optimization of likelihood functions over spaces of matrices such as the Stiefel or Grassmann manifolds. Recently, Huang, Absil, Gallivan, and Hand (2016) have introduced the library ROPTLIB, which provides a framework and state of the art algorithms to optimize real-valued objective functions over commonly used matrix-valued Riemannian manifolds. This article presents ManifoldOptim, an R package that wraps the C++ library ROPTLIB. ManifoldOptim enables users to access functionality in ROPTLIB through R so that optimization problems can easily be constructed, solved, and integrated into larger R codes. Computationally intensive problems can be programmed with Rcpp and RcppArmadillo, and otherwise accessed through R. We illustrate the practical use of ManifoldOptim through several motivating examples involving dimension reduction and envelope methods in regression.

The History of Pre-Modern Medicine seminar series returns this month. The 2017–18 series – organised by a group of historians of medicine based at London universities and hosted by the Wellcome Library – will conclude with four seminars. The series… Continue reading

The last seminar in the 2017–18 History of Pre-Modern Medicine seminar series takes place on Tuesday 27 February. Speaker: Dr Dror Weil (Max Planck Institute for the History of Science, Berlin) Bodies translated: the circulation of Arabo-Persian physiological theories in late… Continue reading

A free manuscripts workshop for PhD students at Wellcome Collection, 01 June 2018 Engaging with an artefact from the past is often a powerful experience, eliciting emotional and sensory, as well as analytical, responses. Researchers in the library at Wellcome… Continue reading