Identification of input data points relevant for the classifier (i.e. serve as the support vector) has recently spurred the interest of researchers for both interpretability as well as dataset debugging. This paper presents an in-depth analysis of the methods which attempt to identify the influence of these data points on the resulting classifier. To quantify the quality of the influence, we curated a set of experiments where we debugged and pruned the dataset based on the influence information obtained from different methods. To do so, we provided the classifier with mislabeled examples that hampered the overall performance. Since the classifier is a combination of both the data and the model, therefore, it is essential to also analyze these influences for the interpretability of deep learning models. Analysis of the results shows that some interpretability methods can detect mislabels better than using a random approach, however, contrary to the claim of these methods, the sample selection based on the training loss showed a superior performance.

Hierarchical abstraction and curiosity-driven exploration are two common paradigms in current reinforcement learning approaches to break down difficult problems into a sequence of simpler ones and to overcome reward sparsity. However, there is a lack of approaches that combine these paradigms, and it is currently unknown whether curiosity also helps to perform the hierarchical abstraction. As a novelty and scientific contribution, we tackle this issue and develop a method that combines hierarchical reinforcement learning with curiosity. Herein, we extend a contemporary hierarchical actor-critic approach with a forward model to develop a hierarchical notion of curiosity. We demonstrate in several continuous-space environments that curiosity approximately doubles the learning performance and success rates for most of the investigated benchmarking problems.

In the variational relevance vector machine, the gamma distribution is representative as a hyperprior over the noise precision of automatic relevance determination prior. Instead of the gamma hyperprior, we propose to use the inverse gamma hyperprior with a shape parameter close to zero and a scale parameter not necessary close to zero. This hyperprior is associated with the concept of a weakly informative prior. The effect of this hyperprior is investigated through regression to non-homogeneous data. Because it is difficult to capture the structure of such data with a single kernel function, we apply the multiple kernel method, in which multiple kernel functions with different widths are arranged for input data. We confirm that the degrees of freedom in a model is controlled by adjusting the scale parameter and keeping the shape parameter close to zero. A candidate for selecting the scale parameter is the predictive information criterion. However the estimated model using this criterion seems to cause over-fitting. This is because the multiple kernel method makes the model a situation where the dimension of the model is larger than the data size. To select an appropriate scale parameter even in such a situation, we also propose an extended prediction information criterion. It is confirmed that a multiple kernel relevance vector regression model with good predictive accuracy can be obtained by selecting the scale parameter minimizing extended prediction information criterion.

Machine learning models with both good predictability and high interpretability are crucial for decision support systems. Linear regression is one of the most interpretable prediction models. However, the linearity in a simple linear regression worsens its predictability. In this work, we introduce a locally adaptive interpretable regression (LoAIR). In LoAIR, a metamodel parameterized by neural networks predicts percentile of a Gaussian distribution for the regression coefficients for a rapid adaptation. Our experimental results on public benchmark datasets show that our model not only achieves comparable or better predictive performance than the other state-of-the-art baselines but also discovers some interesting relationships between input and target variables such as a parabolic relationship between CO2 emissions and Gross National Product (GNP). Therefore, LoAIR is a step towards bridging the gap between econometrics, statistics, and machine learning by improving the predictive ability of linear regression without depreciating its interpretability.

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus higher communication costs compared to dense matrices, making GNNs harder to scale to high concurrencies than convolutional or fully-connected neural networks.

We present a family of parallel algorithms for training GNNs. These algorithms are based on their counterparts in dense and sparse linear algebra, but they had not been previously applied to GNN training. We show that they can asymptotically reduce communication compared to existing parallel GNN training methods. We implement a promising and practical version that is based on 2D sparse-dense matrix multiplication using torch.distributed. Our implementation parallelizes over GPU-equipped clusters. We train GNNs on up to a hundred GPUs on datasets that include a protein network with over a billion edges.

Motion synthesis in a dynamic environment has been a long-standing problem for character animation. Methods using motion capture data tend to scale poorly in complex environments because of their larger capturing and labeling requirement. Physics-based controllers are effective in this regard, albeit less controllable. In this paper, we present CARL, a quadruped agent that can be controlled with high-level directives and react naturally to dynamic environments. Starting with an agent that can imitate individual animation clips, we use Generative Adversarial Networks to adapt high-level controls, such as speed and heading, to action distributions that correspond to the original animations. Further fine-tuning through the deep reinforcement learning enables the agent to recover from unseen external perturbations while producing smooth transitions. It then becomes straightforward to create autonomous agents in dynamic environments by adding navigation modules over the entire process. We evaluate our approach by measuring the agent's ability to follow user control and provide a visual analysis of the generated motion to show its effectiveness.

The notion of incremental learning is to train an ANN algorithm in stages, as and when newer training data arrives. Incremental learning is becoming widespread in recent times with the advent of deep learning. Noise in the training data reduces the accuracy of the algorithm. In this paper, we make an empirical study of the effect of noise in the training phase. We numerically show that the accuracy of the algorithm is dependent more on the location of the error than the percentage of error. Using Perceptron, Feed Forward Neural Network and Radial Basis Function Neural Network, we show that for the same percentage of error, the accuracy of the algorithm significantly varies with the location of error. Furthermore, our results show that the dependence of the accuracy with the location of error is independent of the algorithm. However, the slope of the degradation curve decreases with more sophisticated algorithms

Restricted Boltzmann Machine (RBM) is an energy based, undirected graphical model. It is commonly used for unsupervised and supervised machine learning. Typically, RBM is trained using contrastive divergence (CD). However, training with CD is slow and does not estimate exact gradient of log-likelihood cost function. In this work, the model expectation of gradient learning for RBM has been calculated using a quantum annealer (D-Wave 2000Q), which is much faster than Markov chain Monte Carlo (MCMC) used in CD. Training and classification results are compared with CD. The classification accuracy results indicate similar performance of both methods. Image reconstruction as well as log-likelihood calculations are used to compare the performance of quantum and classical algorithms for RBM training. It is shown that the samples obtained from quantum annealer can be used to train a RBM on a 64-bit `bars and stripes' data set with classification performance similar to a RBM trained with CD. Though training based on CD showed improved learning performance, training using a quantum annealer eliminates computationally expensive MCMC steps of CD.

An accurate and prompt diagnosis of pediatric pneumonia is imperative for successful treatment intervention. One approach to diagnose pneumonia cases is using radiographic data. In this article, we propose a novel parsimonious scalar-on-image classification model adopting the ideas of functional data analysis. Our main idea is to treat images as functional measurements and exploit underlying covariance structures to select basis functions; these bases are then used in approximating both image profiles and corresponding regression coefficient. We re-express the regression model into a standard generalized linear model where the functional principal component scores are treated as covariates. We apply the method to (1) classify pneumonia against healthy and viral against bacterial pneumonia patients, and (2) test the null effect about the association between images and responses. Extensive simulation studies show excellent numerical performance in terms of classification, hypothesis testing, and efficient computation.

Reducing domain divergence is a key step in transfer learning problems. Existing works focus on the minimization of global domain divergence. However, two domains may consist of several shared subdomains, and differ from each other in each subdomain. In this paper, we take the local divergence of subdomains into account in transfer. Specifically, we propose to use low-dimensional manifold to represent subdomain, and align the local data distribution discrepancy in each manifold across domains. A Manifold Maximum Mean Discrepancy (M3D) is developed to measure the local distribution discrepancy in each manifold. We then propose a general framework, called Transfer with Manifolds Discrepancy Alignment (TMDA), to couple the discovery of data manifolds with the minimization of M3D. We instantiate TMDA in the subspace learning case considering both the linear and nonlinear mappings. We also instantiate TMDA in the deep learning framework. Extensive experimental studies demonstrate that TMDA is a promising method for various transfer learning tasks.

Ridge regression (RR) is a regularization technique that penalizes the L2-norm of the coefficients in linear regression. One of the challenges of using RR is the need to set a hyperparameter ($alpha$) that controls the amount of regularization. Cross-validation is typically used to select the best $alpha$ from a set of candidates. However, efficient and appropriate selection of $alpha$ can be challenging, particularly where large amounts of data are analyzed. Because the selected $alpha$ depends on the scale of the data and predictors, it is not straightforwardly interpretable. Here, we propose to reparameterize RR in terms of the ratio $gamma$ between the L2-norms of the regularized and unregularized coefficients. This approach, called fractional RR (FRR), has several benefits: the solutions obtained for different $gamma$ are guaranteed to vary, guarding against wasted calculations, and automatically span the relevant range of regularization, avoiding the need for arduous manual exploration. We provide an algorithm to solve FRR, as well as open-source software implementations in Python and MATLAB (https://github.com/nrdg/fracridge). We show that the proposed method is fast and scalable for large-scale data problems, and delivers results that are straightforward to interpret and compare across models and datasets.

Uncertainties in a structure is inevitable, which generally lead to variation in dynamic response predictions. For a complex structure, brute force Monte Carlo simulation for response variation analysis is infeasible since one single run may already be computationally costly. Data driven meta-modeling approaches have thus been explored to facilitate efficient emulation and statistical inference. The performance of a meta-model hinges upon both the quality and quantity of training dataset. In actual practice, however, high-fidelity data acquired from high-dimensional finite element simulation or experiment are generally scarce, which poses significant challenge to meta-model establishment. In this research, we take advantage of the multi-level response prediction opportunity in structural dynamic analysis, i.e., acquiring rapidly a large amount of low-fidelity data from reduced-order modeling, and acquiring accurately a small amount of high-fidelity data from full-scale finite element analysis. Specifically, we formulate a composite neural network fusion approach that can fully utilize the multi-level, heterogeneous datasets obtained. It implicitly identifies the correlation of the low- and high-fidelity datasets, which yields improved accuracy when compared with the state-of-the-art. Comprehensive investigations using frequency response variation characterization as case example are carried out to demonstrate the performance.

In this paper we obtain the limit distribution for partial sums with a random number of terms following a class of mixed Poisson distributions. The resulting weak limit is a mixing between a normal distribution and an exponential family, which we call by normal exponential family (NEF) laws. A new stability concept is introduced and a relationship between {alpha}-stable distributions and NEF laws is established. We propose estimation of the parameters of the NEF models through the method of moments and also by the maximum likelihood method, which is performed via an Expectation-Maximization algorithm. Monte Carlo simulation studies are addressed to check the performance of the proposed estimators and an empirical illustration on financial market is presented.

We develop a general framework for data-driven approximation of input-output maps between infinite-dimensional spaces. The proposed approach is motivated by the recent successes of neural networks and deep learning, in combination with ideas from model reduction. This combination results in a neural network approximation which, in principle, is defined on infinite-dimensional spaces and, in practice, is robust to the dimension of finite-dimensional approximations of these spaces required for computation. For a class of input-output maps, and suitably chosen probability measures on the inputs, we prove convergence of the proposed approximation methodology. Numerically we demonstrate the effectiveness of the method on a class of parametric elliptic PDE problems, showing convergence and robustness of the approximation scheme with respect to the size of the discretization, and compare our method with existing algorithms from the literature.

Model Stealing (MS) attacks allow an adversary with black-box access to a Machine Learning model to replicate its functionality, compromising the confidentiality of the model. Such attacks train a clone model by using the predictions of the target model for different inputs. The effectiveness of such attacks relies heavily on the availability of data necessary to query the target model. Existing attacks either assume partial access to the dataset of the target model or availability of an alternate dataset with semantic similarities.

This paper proposes MAZE -- a data-free model stealing attack using zeroth-order gradient estimation. In contrast to prior works, MAZE does not require any data and instead creates synthetic data using a generative model. Inspired by recent works in data-free Knowledge Distillation (KD), we train the generative model using a disagreement objective to produce inputs that maximize disagreement between the clone and the target model. However, unlike the white-box setting of KD, where the gradient information is available, training a generator for model stealing requires performing black-box optimization, as it involves accessing the target model under attack. MAZE relies on zeroth-order gradient estimation to perform this optimization and enables a highly accurate MS attack.

Our evaluation with four datasets shows that MAZE provides a normalized clone accuracy in the range of 0.91x to 0.99x, and outperforms even the recent attacks that rely on partial data (JBDA, clone accuracy 0.13x to 0.69x) and surrogate data (KnockoffNets, clone accuracy 0.52x to 0.97x). We also study an extension of MAZE in the partial-data setting and develop MAZE-PD, which generates synthetic data closer to the target distribution. MAZE-PD further improves the clone accuracy (0.97x to 1.0x) and reduces the query required for the attack by 2x-24x.

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.

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.

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.

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

Broadcasting Health and Disease: Bodies, markets and television, 1950s–1980s An ERC BodyCapital international conference to be held at the Wellcome Trust, 19–21 February 2018 In the television age, health and the body have been broadcasted in many ways: in short… Continue reading