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Statistical errors in Monte Carlo-based inference for random elements. (arXiv:2005.02532v2 [math.ST] UPDATED)

Monte Carlo simulation is useful to compute or estimate expected functionals of random elements if those random samples are possible to be generated from the true distribution. However, when the distribution has some unknown parameters, the samples must be generated from an estimated distribution with the parameters replaced by some estimators, which causes a statistical error in Monte Carlo estimation. This paper considers such a statistical error and investigates the asymptotic distributions of Monte Carlo-based estimators when the random elements are not only the real valued, but also functional valued random variables. We also investigate expected functionals for semimartingales in details. The consideration indicates that the Monte Carlo estimation can get worse when a semimartingale has a jump part with unremovable unknown parameters.




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Generating Thermal Image Data Samples using 3D Facial Modelling Techniques and Deep Learning Methodologies. (arXiv:2005.01923v2 [cs.CV] UPDATED)

Methods for generating synthetic data have become of increasing importance to build large datasets required for Convolution Neural Networks (CNN) based deep learning techniques for a wide range of computer vision applications. In this work, we extend existing methodologies to show how 2D thermal facial data can be mapped to provide 3D facial models. For the proposed research work we have used tufts datasets for generating 3D varying face poses by using a single frontal face pose. The system works by refining the existing image quality by performing fusion based image preprocessing operations. The refined outputs have better contrast adjustments, decreased noise level and higher exposedness of the dark regions. It makes the facial landmarks and temperature patterns on the human face more discernible and visible when compared to original raw data. Different image quality metrics are used to compare the refined version of images with original images. In the next phase of the proposed study, the refined version of images is used to create 3D facial geometry structures by using Convolution Neural Networks (CNN). The generated outputs are then imported in blender software to finally extract the 3D thermal facial outputs of both males and females. The same technique is also used on our thermal face data acquired using prototype thermal camera (developed under Heliaus EU project) in an indoor lab environment which is then used for generating synthetic 3D face data along with varying yaw face angles and lastly facial depth map is generated.




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Interpreting Rate-Distortion of Variational Autoencoder and Using Model Uncertainty for Anomaly Detection. (arXiv:2005.01889v2 [cs.LG] UPDATED)

Building a scalable machine learning system for unsupervised anomaly detection via representation learning is highly desirable. One of the prevalent methods is using a reconstruction error from variational autoencoder (VAE) via maximizing the evidence lower bound. We revisit VAE from the perspective of information theory to provide some theoretical foundations on using the reconstruction error, and finally arrive at a simpler and more effective model for anomaly detection. In addition, to enhance the effectiveness of detecting anomalies, we incorporate a practical model uncertainty measure into the metric. We show empirically the competitive performance of our approach on benchmark datasets.




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How many modes can a constrained Gaussian mixture have?. (arXiv:2005.01580v2 [math.ST] UPDATED)

We show, by an explicit construction, that a mixture of univariate Gaussians with variance 1 and means in $[-A,A]$ can have $Omega(A^2)$ modes. This disproves a recent conjecture of Dytso, Yagli, Poor and Shamai [IEEE Trans. Inform. Theory, Apr. 2020], who showed that such a mixture can have at most $O(A^2)$ modes and surmised that the upper bound could be improved to $O(A)$. Our result holds even if an additional variance constraint is imposed on the mixing distribution. Extending the result to higher dimensions, we exhibit a mixture of Gaussians in $mathbb{R}^d$, with identity covariances and means inside $[-A,A]^d$, that has $Omega(A^{2d})$ modes.




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Is the NUTS algorithm correct?. (arXiv:2005.01336v2 [stat.CO] UPDATED)

This paper is devoted to investigate whether the popular No U-turn (NUTS) sampling algorithm is correct, i.e. whether the target probability distribution is emph{exactly} conserved by the algorithm. It turns out that one of the Gibbs substeps used in the algorithm cannot always be guaranteed to be correct.




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Can a powerful neural network be a teacher for a weaker neural network?. (arXiv:2005.00393v2 [cs.LG] UPDATED)

The transfer learning technique is widely used to learning in one context and applying it to another, i.e. the capacity to apply acquired knowledge and skills to new situations. But is it possible to transfer the learning from a deep neural network to a weaker neural network? Is it possible to improve the performance of a weak neural network using the knowledge acquired by a more powerful neural network? In this work, during the training process of a weak network, we add a loss function that minimizes the distance between the features previously learned from a strong neural network with the features that the weak network must try to learn. To demonstrate the effectiveness and robustness of our approach, we conducted a large number of experiments using three known datasets and demonstrated that a weak neural network can increase its performance if its learning process is driven by a more powerful neural network.




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Data-Space Inversion Using a Recurrent Autoencoder for Time-Series Parameterization. (arXiv:2005.00061v2 [stat.ML] UPDATED)

Data-space inversion (DSI) and related procedures represent a family of methods applicable for data assimilation in subsurface flow settings. These methods differ from model-based techniques in that they provide only posterior predictions for quantities (time series) of interest, not posterior models with calibrated parameters. DSI methods require a large number of flow simulations to first be performed on prior geological realizations. Given observed data, posterior predictions can then be generated directly. DSI operates in a Bayesian setting and provides posterior samples of the data vector. In this work we develop and evaluate a new approach for data parameterization in DSI. Parameterization reduces the number of variables to determine in the inversion, and it maintains the physical character of the data variables. The new parameterization uses a recurrent autoencoder (RAE) for dimension reduction, and a long-short-term memory (LSTM) network to represent flow-rate time series. The RAE-based parameterization is combined with an ensemble smoother with multiple data assimilation (ESMDA) for posterior generation. Results are presented for two- and three-phase flow in a 2D channelized system and a 3D multi-Gaussian model. The RAE procedure, along with existing DSI treatments, are assessed through comparison to reference rejection sampling (RS) results. The new DSI methodology is shown to consistently outperform existing approaches, in terms of statistical agreement with RS results. The method is also shown to accurately capture derived quantities, which are computed from variables considered directly in DSI. This requires correlation and covariance between variables to be properly captured, and accuracy in these relationships is demonstrated. The RAE-based parameterization developed here is clearly useful in DSI, and it may also find application in other subsurface flow problems.




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Short-term forecasts of COVID-19 spread across Indian states until 1 May 2020. (arXiv:2004.13538v2 [q-bio.PE] UPDATED)

The very first case of corona-virus illness was recorded on 30 January 2020, in India and the number of infected cases, including the death toll, continues to rise. In this paper, we present short-term forecasts of COVID-19 for 28 Indian states and five union territories using real-time data from 30 January to 21 April 2020. Applying Holt's second-order exponential smoothing method and autoregressive integrated moving average (ARIMA) model, we generate 10-day ahead forecasts of the likely number of infected cases and deaths in India for 22 April to 1 May 2020. Our results show that the number of cumulative cases in India will rise to 36335.63 [PI 95% (30884.56, 42918.87)], concurrently the number of deaths may increase to 1099.38 [PI 95% (959.77, 1553.76)] by 1 May 2020. Further, we have divided the country into severity zones based on the cumulative cases. According to this analysis, Maharashtra is likely to be the most affected states with around 9787.24 [PI 95% (6949.81, 13757.06)] cumulative cases by 1 May 2020. However, Kerala and Karnataka are likely to shift from the red zone (i.e. highly affected) to the lesser affected region. On the other hand, Gujarat and Madhya Pradesh will move to the red zone. These results mark the states where lockdown by 3 May 2020, can be loosened.




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A bimodal gamma distribution: Properties, regression model and applications. (arXiv:2004.12491v2 [stat.ME] UPDATED)

In this paper we propose a bimodal gamma distribution using a quadratic transformation based on the alpha-skew-normal model. We discuss several properties of this distribution such as mean, variance, moments, hazard rate and entropy measures. Further, we propose a new regression model with censored data based on the bimodal gamma distribution. This regression model can be very useful to the analysis of real data and could give more realistic fits than other special regression models. Monte Carlo simulations were performed to check the bias in the maximum likelihood estimation. The proposed models are applied to two real data sets found in literature.




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A Global Benchmark of Algorithms for Segmenting Late Gadolinium-Enhanced Cardiac Magnetic Resonance Imaging. (arXiv:2004.12314v3 [cs.CV] UPDATED)

Segmentation of cardiac images, particularly late gadolinium-enhanced magnetic resonance imaging (LGE-MRI) widely used for visualizing diseased cardiac structures, is a crucial first step for clinical diagnosis and treatment. However, direct segmentation of LGE-MRIs is challenging due to its attenuated contrast. Since most clinical studies have relied on manual and labor-intensive approaches, automatic methods are of high interest, particularly optimized machine learning approaches. To address this, we organized the "2018 Left Atrium Segmentation Challenge" using 154 3D LGE-MRIs, currently the world's largest cardiac LGE-MRI dataset, and associated labels of the left atrium segmented by three medical experts, ultimately attracting the participation of 27 international teams. In this paper, extensive analysis of the submitted algorithms using technical and biological metrics was performed by undergoing subgroup analysis and conducting hyper-parameter analysis, offering an overall picture of the major design choices of convolutional neural networks (CNNs) and practical considerations for achieving state-of-the-art left atrium segmentation. Results show the top method achieved a dice score of 93.2% and a mean surface to a surface distance of 0.7 mm, significantly outperforming prior state-of-the-art. Particularly, our analysis demonstrated that double, sequentially used CNNs, in which a first CNN is used for automatic region-of-interest localization and a subsequent CNN is used for refined regional segmentation, achieved far superior results than traditional methods and pipelines containing single CNNs. This large-scale benchmarking study makes a significant step towards much-improved segmentation methods for cardiac LGE-MRIs, and will serve as an important benchmark for evaluating and comparing the future works in the field.




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Excess registered deaths in England and Wales during the COVID-19 pandemic, March 2020 and April 2020. (arXiv:2004.11355v4 [stat.AP] UPDATED)

Official counts of COVID-19 deaths have been criticized for potentially including people who did not die of COVID-19 but merely died with COVID-19. I address that critique by fitting a generalized additive model to weekly counts of all registered deaths in England and Wales during the 2010s. The model produces baseline rates of death registrations expected in the absence of the COVID-19 pandemic, and comparing those baselines to recent counts of registered deaths exposes the emergence of excess deaths late in March 2020. Among adults aged 45+, about 38,700 excess deaths were registered in the 5 weeks comprising 21 March through 24 April (612 $pm$ 416 from 21$-$27 March, 5675 $pm$ 439 from 28 March through 3 April, then 9183 $pm$ 468, 12,712 $pm$ 589, and 10,511 $pm$ 567 in April's next 3 weeks). Both the Office for National Statistics's respective count of 26,891 death certificates which mention COVID-19, and the Department of Health and Social Care's hospital-focused count of 21,222 deaths, are appreciably less, implying that their counting methods have underestimated rather than overestimated the pandemic's true death toll. If underreporting rates have held steady, about 45,900 direct and indirect COVID-19 deaths might have been registered by April's end but not yet publicly reported in full.




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On a phase transition in general order spline regression. (arXiv:2004.10922v2 [math.ST] UPDATED)

In the Gaussian sequence model $Y= heta_0 + varepsilon$ in $mathbb{R}^n$, we study the fundamental limit of approximating the signal $ heta_0$ by a class $Theta(d,d_0,k)$ of (generalized) splines with free knots. Here $d$ is the degree of the spline, $d_0$ is the order of differentiability at each inner knot, and $k$ is the maximal number of pieces. We show that, given any integer $dgeq 0$ and $d_0in{-1,0,ldots,d-1}$, the minimax rate of estimation over $Theta(d,d_0,k)$ exhibits the following phase transition: egin{equation*} egin{aligned} inf_{widetilde{ heta}}sup_{ hetainTheta(d,d_0, k)}mathbb{E}_ heta|widetilde{ heta} - heta|^2 asymp_d egin{cases} kloglog(16n/k), & 2leq kleq k_0,\ klog(en/k), & k geq k_0+1. end{cases} end{aligned} end{equation*} The transition boundary $k_0$, which takes the form $lfloor{(d+1)/(d-d_0) floor} + 1$, demonstrates the critical role of the regularity parameter $d_0$ in the separation between a faster $log log(16n)$ and a slower $log(en)$ rate. We further show that, once encouraging an additional '$d$-monotonicity' shape constraint (including monotonicity for $d = 0$ and convexity for $d=1$), the above phase transition is eliminated and the faster $kloglog(16n/k)$ rate can be achieved for all $k$. These results provide theoretical support for developing $ell_0$-penalized (shape-constrained) spline regression procedures as useful alternatives to $ell_1$- and $ell_2$-penalized ones.




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A Critical Overview of Privacy-Preserving Approaches for Collaborative Forecasting. (arXiv:2004.09612v3 [cs.LG] UPDATED)

Cooperation between different data owners may lead to an improvement in forecast quality - for instance by benefiting from spatial-temporal dependencies in geographically distributed time series. Due to business competitive factors and personal data protection questions, said data owners might be unwilling to share their data, which increases the interest in collaborative privacy-preserving forecasting. This paper analyses the state-of-the-art and unveils several shortcomings of existing methods in guaranteeing data privacy when employing Vector Autoregressive (VAR) models. The paper also provides mathematical proofs and numerical analysis to evaluate existing privacy-preserving methods, dividing them into three groups: data transformation, secure multi-party computations, and decomposition methods. The analysis shows that state-of-the-art techniques have limitations in preserving data privacy, such as a trade-off between privacy and forecasting accuracy, while the original data in iterative model fitting processes, in which intermediate results are shared, can be inferred after some iterations.




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Deep transfer learning for improving single-EEG arousal detection. (arXiv:2004.05111v2 [cs.CV] UPDATED)

Datasets in sleep science present challenges for machine learning algorithms due to differences in recording setups across clinics. We investigate two deep transfer learning strategies for overcoming the channel mismatch problem for cases where two datasets do not contain exactly the same setup leading to degraded performance in single-EEG models. Specifically, we train a baseline model on multivariate polysomnography data and subsequently replace the first two layers to prepare the architecture for single-channel electroencephalography data. Using a fine-tuning strategy, our model yields similar performance to the baseline model (F1=0.682 and F1=0.694, respectively), and was significantly better than a comparable single-channel model. Our results are promising for researchers working with small databases who wish to use deep learning models pre-trained on larger databases.




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Strong Converse for Testing Against Independence over a Noisy channel. (arXiv:2004.00775v2 [cs.IT] UPDATED)

A distributed binary hypothesis testing (HT) problem over a noisy (discrete and memoryless) channel studied previously by the authors is investigated from the perspective of the strong converse property. It was shown by Ahlswede and Csisz'{a}r that a strong converse holds in the above setting when the channel is rate-limited and noiseless. Motivated by this observation, we show that the strong converse continues to hold in the noisy channel setting for a special case of HT known as testing against independence (TAI), under the assumption that the channel transition matrix has non-zero elements. The proof utilizes the blowing up lemma and the recent change of measure technique of Tyagi and Watanabe as the key tools.




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Capturing and Explaining Trajectory Singularities using Composite Signal Neural Networks. (arXiv:2003.10810v2 [cs.LG] UPDATED)

Spatial trajectories are ubiquitous and complex signals. Their analysis is crucial in many research fields, from urban planning to neuroscience. Several approaches have been proposed to cluster trajectories. They rely on hand-crafted features, which struggle to capture the spatio-temporal complexity of the signal, or on Artificial Neural Networks (ANNs) which can be more efficient but less interpretable. In this paper we present a novel ANN architecture designed to capture the spatio-temporal patterns characteristic of a set of trajectories, while taking into account the demographics of the navigators. Hence, our model extracts markers linked to both behaviour and demographics. We propose a composite signal analyser (CompSNN) combining three simple ANN modules. Each of these modules uses different signal representations of the trajectory while remaining interpretable. Our CompSNN performs significantly better than its modules taken in isolation and allows to visualise which parts of the signal were most useful to discriminate the trajectories.




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Risk-Aware Energy Scheduling for Edge Computing with Microgrid: A Multi-Agent Deep Reinforcement Learning Approach. (arXiv:2003.02157v2 [physics.soc-ph] UPDATED)

In recent years, multi-access edge computing (MEC) is a key enabler for handling the massive expansion of Internet of Things (IoT) applications and services. However, energy consumption of a MEC network depends on volatile tasks that induces risk for energy demand estimations. As an energy supplier, a microgrid can facilitate seamless energy supply. However, the risk associated with energy supply is also increased due to unpredictable energy generation from renewable and non-renewable sources. Especially, the risk of energy shortfall is involved with uncertainties in both energy consumption and generation. In this paper, we study a risk-aware energy scheduling problem for a microgrid-powered MEC network. First, we formulate an optimization problem considering the conditional value-at-risk (CVaR) measurement for both energy consumption and generation, where the objective is to minimize the loss of energy shortfall of the MEC networks and we show this problem is an NP-hard problem. Second, we analyze our formulated problem using a multi-agent stochastic game that ensures the joint policy Nash equilibrium, and show the convergence of the proposed model. Third, we derive the solution by applying a multi-agent deep reinforcement learning (MADRL)-based asynchronous advantage actor-critic (A3C) algorithm with shared neural networks. This method mitigates the curse of dimensionality of the state space and chooses the best policy among the agents for the proposed problem. Finally, the experimental results establish a significant performance gain by considering CVaR for high accuracy energy scheduling of the proposed model than both the single and random agent models.




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Mnemonics Training: Multi-Class Incremental Learning without Forgetting. (arXiv:2002.10211v3 [cs.CV] UPDATED)

Multi-Class Incremental Learning (MCIL) aims to learn new concepts by incrementally updating a model trained on previous concepts. However, there is an inherent trade-off to effectively learning new concepts without catastrophic forgetting of previous ones. To alleviate this issue, it has been proposed to keep around a few examples of the previous concepts but the effectiveness of this approach heavily depends on the representativeness of these examples. This paper proposes a novel and automatic framework we call mnemonics, where we parameterize exemplars and make them optimizable in an end-to-end manner. We train the framework through bilevel optimizations, i.e., model-level and exemplar-level. We conduct extensive experiments on three MCIL benchmarks, CIFAR-100, ImageNet-Subset and ImageNet, and show that using mnemonics exemplars can surpass the state-of-the-art by a large margin. Interestingly and quite intriguingly, the mnemonics exemplars tend to be on the boundaries between different classes.




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A Distributionally Robust Area Under Curve Maximization Model. (arXiv:2002.07345v2 [math.OC] UPDATED)

Area under ROC curve (AUC) is a widely used performance measure for classification models. We propose two new distributionally robust AUC maximization models (DR-AUC) that rely on the Kantorovich metric and approximate the AUC with the hinge loss function. We consider the two cases with respectively fixed and variable support for the worst-case distribution. We use duality theory to reformulate the DR-AUC models and derive tractable convex optimization problems. The numerical experiments show that the proposed DR-AUC models -- benchmarked with the standard deterministic AUC and the support vector machine models - perform better in general and in particular improve the worst-case out-of-sample performance over the majority of the considered datasets, thereby showing their robustness. The results are particularly encouraging since our numerical experiments are conducted with training sets of small size which have been known to be conducive to low out-of-sample performance.




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Statistical aspects of nuclear mass models. (arXiv:2002.04151v3 [nucl-th] UPDATED)

We study the information content of nuclear masses from the perspective of global models of nuclear binding energies. To this end, we employ a number of statistical methods and diagnostic tools, including Bayesian calibration, Bayesian model averaging, chi-square correlation analysis, principal component analysis, and empirical coverage probability. Using a Bayesian framework, we investigate the structure of the 4-parameter Liquid Drop Model by considering discrepant mass domains for calibration. We then use the chi-square correlation framework to analyze the 14-parameter Skyrme energy density functional calibrated using homogeneous and heterogeneous datasets. We show that a quite dramatic parameter reduction can be achieved in both cases. The advantage of Bayesian model averaging for improving uncertainty quantification is demonstrated. The statistical approaches used are pedagogically described; in this context this work can serve as a guide for future applications.




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Cyclic Boosting -- an explainable supervised machine learning algorithm. (arXiv:2002.03425v2 [cs.LG] UPDATED)

Supervised machine learning algorithms have seen spectacular advances and surpassed human level performance in a wide range of specific applications. However, using complex ensemble or deep learning algorithms typically results in black box models, where the path leading to individual predictions cannot be followed in detail. In order to address this issue, we propose the novel "Cyclic Boosting" machine learning algorithm, which allows to efficiently perform accurate regression and classification tasks while at the same time allowing a detailed understanding of how each individual prediction was made.




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On the impact of selected modern deep-learning techniques to the performance and celerity of classification models in an experimental high-energy physics use case. (arXiv:2002.01427v3 [physics.data-an] UPDATED)

Beginning from a basic neural-network architecture, we test the potential benefits offered by a range of advanced techniques for machine learning, in particular deep learning, in the context of a typical classification problem encountered in the domain of high-energy physics, using a well-studied dataset: the 2014 Higgs ML Kaggle dataset. The advantages are evaluated in terms of both performance metrics and the time required to train and apply the resulting models. Techniques examined include domain-specific data-augmentation, learning rate and momentum scheduling, (advanced) ensembling in both model-space and weight-space, and alternative architectures and connection methods.

Following the investigation, we arrive at a model which achieves equal performance to the winning solution of the original Kaggle challenge, whilst being significantly quicker to train and apply, and being suitable for use with both GPU and CPU hardware setups. These reductions in timing and hardware requirements potentially allow the use of more powerful algorithms in HEP analyses, where models must be retrained frequently, sometimes at short notice, by small groups of researchers with limited hardware resources. Additionally, a new wrapper library for PyTorch called LUMINis presented, which incorporates all of the techniques studied.




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Restricting the Flow: Information Bottlenecks for Attribution. (arXiv:2001.00396v3 [stat.ML] UPDATED)

Attribution methods provide insights into the decision-making of machine learning models like artificial neural networks. For a given input sample, they assign a relevance score to each individual input variable, such as the pixels of an image. In this work we adapt the information bottleneck concept for attribution. By adding noise to intermediate feature maps we restrict the flow of information and can quantify (in bits) how much information image regions provide. We compare our method against ten baselines using three different metrics on VGG-16 and ResNet-50, and find that our methods outperform all baselines in five out of six settings. The method's information-theoretic foundation provides an absolute frame of reference for attribution values (bits) and a guarantee that regions scored close to zero are not necessary for the network's decision. For reviews: https://openreview.net/forum?id=S1xWh1rYwB For code: https://github.com/BioroboticsLab/IBA




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A priori generalization error for two-layer ReLU neural network through minimum norm solution. (arXiv:1912.03011v3 [cs.LG] UPDATED)

We focus on estimating emph{a priori} generalization error of two-layer ReLU neural networks (NNs) trained by mean squared error, which only depends on initial parameters and the target function, through the following research line. We first estimate emph{a priori} generalization error of finite-width two-layer ReLU NN with constraint of minimal norm solution, which is proved by cite{zhang2019type} to be an equivalent solution of a linearized (w.r.t. parameter) finite-width two-layer NN. As the width goes to infinity, the linearized NN converges to the NN in Neural Tangent Kernel (NTK) regime citep{jacot2018neural}. Thus, we can derive the emph{a priori} generalization error of two-layer ReLU NN in NTK regime. The distance between NN in a NTK regime and a finite-width NN with gradient training is estimated by cite{arora2019exact}. Based on the results in cite{arora2019exact}, our work proves an emph{a priori} generalization error bound of two-layer ReLU NNs. This estimate uses the intrinsic implicit bias of the minimum norm solution without requiring extra regularity in the loss function. This emph{a priori} estimate also implies that NN does not suffer from curse of dimensionality, and a small generalization error can be achieved without requiring exponentially large number of neurons. In addition the research line proposed in this paper can also be used to study other properties of the finite-width network, such as the posterior generalization error.




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Covariance Matrix Adaptation for the Rapid Illumination of Behavior Space. (arXiv:1912.02400v2 [cs.LG] UPDATED)

We focus on the challenge of finding a diverse collection of quality solutions on complex continuous domains. While quality diver-sity (QD) algorithms like Novelty Search with Local Competition (NSLC) and MAP-Elites are designed to generate a diverse range of solutions, these algorithms require a large number of evaluations for exploration of continuous spaces. Meanwhile, variants of the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) are among the best-performing derivative-free optimizers in single-objective continuous domains. This paper proposes a new QD algorithm called Covariance Matrix Adaptation MAP-Elites (CMA-ME). Our new algorithm combines the self-adaptation techniques of CMA-ES with archiving and mapping techniques for maintaining diversity in QD. Results from experiments based on standard continuous optimization benchmarks show that CMA-ME finds better-quality solutions than MAP-Elites; similarly, results on the strategic game Hearthstone show that CMA-ME finds both a higher overall quality and broader diversity of strategies than both CMA-ES and MAP-Elites. Overall, CMA-ME more than doubles the performance of MAP-Elites using standard QD performance metrics. These results suggest that QD algorithms augmented by operators from state-of-the-art optimization algorithms can yield high-performing methods for simultaneously exploring and optimizing continuous search spaces, with significant applications to design, testing, and reinforcement learning among other domains.




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$V$-statistics and Variance Estimation. (arXiv:1912.01089v2 [stat.ML] UPDATED)

This paper develops a general framework for analyzing asymptotics of $V$-statistics. Previous literature on limiting distribution mainly focuses on the cases when $n o infty$ with fixed kernel size $k$. Under some regularity conditions, we demonstrate asymptotic normality when $k$ grows with $n$ by utilizing existing results for $U$-statistics. The key in our approach lies in a mathematical reduction to $U$-statistics by designing an equivalent kernel for $V$-statistics. We also provide a unified treatment on variance estimation for both $U$- and $V$-statistics by observing connections to existing methods and proposing an empirically more accurate estimator. Ensemble methods such as random forests, where multiple base learners are trained and aggregated for prediction purposes, serve as a running example throughout the paper because they are a natural and flexible application of $V$-statistics.




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Sampling random graph homomorphisms and applications to network data analysis. (arXiv:1910.09483v2 [math.PR] UPDATED)

A graph homomorphism is a map between two graphs that preserves adjacency relations. We consider the problem of sampling a random graph homomorphism from a graph $F$ into a large network $mathcal{G}$. We propose two complementary MCMC algorithms for sampling a random graph homomorphisms and establish bounds on their mixing times and concentration of their time averages. Based on our sampling algorithms, we propose a novel framework for network data analysis that circumvents some of the drawbacks in methods based on independent and neigborhood sampling. Various time averages of the MCMC trajectory give us various computable observables, including well-known ones such as homomorphism density and average clustering coefficient and their generalizations. Furthermore, we show that these network observables are stable with respect to a suitably renormalized cut distance between networks. We provide various examples and simulations demonstrating our framework through synthetic networks. We also apply our framework for network clustering and classification problems using the Facebook100 dataset and Word Adjacency Networks of a set of classic novels.




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Bayesian factor models for multivariate categorical data obtained from questionnaires. (arXiv:1910.04283v2 [stat.AP] UPDATED)

Factor analysis is a flexible technique for assessment of multivariate dependence and codependence. Besides being an exploratory tool used to reduce the dimensionality of multivariate data, it allows estimation of common factors that often have an interesting theoretical interpretation in real problems. However, standard factor analysis is only applicable when the variables are scaled, which is often inappropriate, for example, in data obtained from questionnaires in the field of psychology,where the variables are often categorical. In this framework, we propose a factor model for the analysis of multivariate ordered and non-ordered polychotomous data. The inference procedure is done under the Bayesian approach via Markov chain Monte Carlo methods. Two Monte-Carlo simulation studies are presented to investigate the performance of this approach in terms of estimation bias, precision and assessment of the number of factors. We also illustrate the proposed method to analyze participants' responses to the Motivational State Questionnaire dataset, developed to study emotions in laboratory and field settings.




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Differentiable Sparsification for Deep Neural Networks. (arXiv:1910.03201v2 [cs.LG] UPDATED)

A deep neural network has relieved the burden of feature engineering by human experts, but comparable efforts are instead required to determine an effective architecture. On the other hands, as the size of a network has over-grown, a lot of resources are also invested to reduce its size. These problems can be addressed by sparsification of an over-complete model, which removes redundant parameters or connections by pruning them away after training or encouraging them to become zero during training. In general, however, these approaches are not fully differentiable and interrupt an end-to-end training process with the stochastic gradient descent in that they require either a parameter selection or a soft-thresholding step. In this paper, we propose a fully differentiable sparsification method for deep neural networks, which allows parameters to be exactly zero during training, and thus can learn the sparsified structure and the weights of networks simultaneously using the stochastic gradient descent. We apply the proposed method to various popular models in order to show its effectiveness.




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DualSMC: Tunneling Differentiable Filtering and Planning under Continuous POMDPs. (arXiv:1909.13003v4 [cs.LG] UPDATED)

A major difficulty of solving continuous POMDPs is to infer the multi-modal distribution of the unobserved true states and to make the planning algorithm dependent on the perceived uncertainty. We cast POMDP filtering and planning problems as two closely related Sequential Monte Carlo (SMC) processes, one over the real states and the other over the future optimal trajectories, and combine the merits of these two parts in a new model named the DualSMC network. In particular, we first introduce an adversarial particle filter that leverages the adversarial relationship between its internal components. Based on the filtering results, we then propose a planning algorithm that extends the previous SMC planning approach [Piche et al., 2018] to continuous POMDPs with an uncertainty-dependent policy. Crucially, not only can DualSMC handle complex observations such as image input but also it remains highly interpretable. It is shown to be effective in three continuous POMDP domains: the floor positioning domain, the 3D light-dark navigation domain, and a modified Reacher domain.




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Margin-Based Generalization Lower Bounds for Boosted Classifiers. (arXiv:1909.12518v4 [cs.LG] UPDATED)

Boosting is one of the most successful ideas in machine learning. The most well-accepted explanations for the low generalization error of boosting algorithms such as AdaBoost stem from margin theory. The study of margins in the context of boosting algorithms was initiated by Schapire, Freund, Bartlett and Lee (1998) and has inspired numerous boosting algorithms and generalization bounds. To date, the strongest known generalization (upper bound) is the $k$th margin bound of Gao and Zhou (2013). Despite the numerous generalization upper bounds that have been proved over the last two decades, nothing is known about the tightness of these bounds. In this paper, we give the first margin-based lower bounds on the generalization error of boosted classifiers. Our lower bounds nearly match the $k$th margin bound and thus almost settle the generalization performance of boosted classifiers in terms of margins.




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Estimating drift parameters in a non-ergodic Gaussian Vasicek-type model. (arXiv:1909.06155v2 [math.PR] UPDATED)

We study the problem of parameter estimation for a non-ergodic Gaussian Vasicek-type model defined as $dX_t=(mu+ heta X_t)dt+dG_t, tgeq0$ with unknown parameters $ heta>0$ and $muinR$, where $G$ is a Gaussian process. We provide least square-type estimators $widetilde{ heta}_T$ and $widetilde{mu}_T$ respectively for the drift parameters $ heta$ and $mu$ based on continuous-time observations ${X_t, tin[0,T]}$ as $T ightarrowinfty$.

Our aim is to derive some sufficient conditions on the driving Gaussian process $G$ in order to ensure that $widetilde{ heta}_T$ and $widetilde{mu}_T$ are strongly consistent, the limit distribution of $widetilde{ heta}_T$ is a Cauchy-type distribution and $widetilde{mu}_T$ is asymptotically normal. We apply our result to fractional Vasicek, subfractional Vasicek and bifractional Vasicek processes. In addition, this work extends the result of cite{EEO} studied in the case where $mu=0$.




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Additive Bayesian variable selection under censoring and misspecification. (arXiv:1907.13563v3 [stat.ME] UPDATED)

We study the interplay of two important issues on Bayesian model selection (BMS): censoring and model misspecification. We consider additive accelerated failure time (AAFT), Cox proportional hazards and probit models, and a more general concave log-likelihood structure. A fundamental question is what solution can one hope BMS to provide, when (inevitably) models are misspecified. We show that asymptotically BMS keeps any covariate with predictive power for either the outcome or censoring times, and discards other covariates. Misspecification refers to assuming the wrong model or functional effect on the response, including using a finite basis for a truly non-parametric effect, or omitting truly relevant covariates. We argue for using simple models that are computationally practical yet attain good power to detect potentially complex effects, despite misspecification. Misspecification and censoring both have an asymptotically negligible effect on (suitably-defined) false positives, but their impact on power is exponential. We portray these issues via simple descriptions of early/late censoring and the drop in predictive accuracy due to misspecification. From a methods point of view, we consider local priors and a novel structure that combines local and non-local priors to enforce sparsity. We develop algorithms to capitalize on the AAFT tractability, approximations to AAFT and probit likelihoods giving significant computational gains, a simple augmented Gibbs sampler to hierarchically explore linear and non-linear effects, and an implementation in the R package mombf. We illustrate the proposed methods and others based on likelihood penalties via extensive simulations under misspecification and censoring. We present two applications concerning the effect of gene expression on colon and breast cancer.




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Convergence rates for optimised adaptive importance samplers. (arXiv:1903.12044v4 [stat.CO] UPDATED)

Adaptive importance samplers are adaptive Monte Carlo algorithms to estimate expectations with respect to some target distribution which extit{adapt} themselves to obtain better estimators over a sequence of iterations. Although it is straightforward to show that they have the same $mathcal{O}(1/sqrt{N})$ convergence rate as standard importance samplers, where $N$ is the number of Monte Carlo samples, the behaviour of adaptive importance samplers over the number of iterations has been left relatively unexplored. In this work, we investigate an adaptation strategy based on convex optimisation which leads to a class of adaptive importance samplers termed extit{optimised adaptive importance samplers} (OAIS). These samplers rely on the iterative minimisation of the $chi^2$-divergence between an exponential-family proposal and the target. The analysed algorithms are closely related to the class of adaptive importance samplers which minimise the variance of the weight function. We first prove non-asymptotic error bounds for the mean squared errors (MSEs) of these algorithms, which explicitly depend on the number of iterations and the number of samples together. The non-asymptotic bounds derived in this paper imply that when the target belongs to the exponential family, the $L_2$ errors of the optimised samplers converge to the optimal rate of $mathcal{O}(1/sqrt{N})$ and the rate of convergence in the number of iterations are explicitly provided. When the target does not belong to the exponential family, the rate of convergence is the same but the asymptotic $L_2$ error increases by a factor $sqrt{ ho^star} > 1$, where $ ho^star - 1$ is the minimum $chi^2$-divergence between the target and an exponential-family proposal.




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An n-dimensional Rosenbrock Distribution for MCMC Testing. (arXiv:1903.09556v4 [stat.CO] UPDATED)

The Rosenbrock function is an ubiquitous benchmark problem for numerical optimisation, and variants have been proposed to test the performance of Markov Chain Monte Carlo algorithms. In this work we discuss the two-dimensional Rosenbrock density, its current $n$-dimensional extensions, and their advantages and limitations. We then propose a new extension to arbitrary dimensions called the Hybrid Rosenbrock distribution, which is composed of conditional normal kernels arranged in such a way that preserves the key features of the original kernel. Moreover, due to its structure, the Hybrid Rosenbrock distribution is analytically tractable and possesses several desirable properties, which make it an excellent test model for computational algorithms.




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Learned Step Size Quantization. (arXiv:1902.08153v3 [cs.LG] UPDATED)

Deep networks run with low precision operations at inference time offer power and space advantages over high precision alternatives, but need to overcome the challenge of maintaining high accuracy as precision decreases. Here, we present a method for training such networks, Learned Step Size Quantization, that achieves the highest accuracy to date on the ImageNet dataset when using models, from a variety of architectures, with weights and activations quantized to 2-, 3- or 4-bits of precision, and that can train 3-bit models that reach full precision baseline accuracy. Our approach builds upon existing methods for learning weights in quantized networks by improving how the quantizer itself is configured. Specifically, we introduce a novel means to estimate and scale the task loss gradient at each weight and activation layer's quantizer step size, such that it can be learned in conjunction with other network parameters. This approach works using different levels of precision as needed for a given system and requires only a simple modification of existing training code.




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FNNC: Achieving Fairness through Neural Networks. (arXiv:1811.00247v3 [cs.LG] UPDATED)

In classification models fairness can be ensured by solving a constrained optimization problem. We focus on fairness constraints like Disparate Impact, Demographic Parity, and Equalized Odds, which are non-decomposable and non-convex. Researchers define convex surrogates of the constraints and then apply convex optimization frameworks to obtain fair classifiers. Surrogates serve only as an upper bound to the actual constraints, and convexifying fairness constraints might be challenging.

We propose a neural network-based framework, emph{FNNC}, to achieve fairness while maintaining high accuracy in classification. The above fairness constraints are included in the loss using Lagrangian multipliers. We prove bounds on generalization errors for the constrained losses which asymptotically go to zero. The network is optimized using two-step mini-batch stochastic gradient descent. Our experiments show that FNNC performs as good as the state of the art, if not better. The experimental evidence supplements our theoretical guarantees. In summary, we have an automated solution to achieve fairness in classification, which is easily extendable to many fairness constraints.




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Multi-scale analysis of lead-lag relationships in high-frequency financial markets. (arXiv:1708.03992v3 [stat.ME] UPDATED)

We propose a novel estimation procedure for scale-by-scale lead-lag relationships of financial assets observed at high-frequency in a non-synchronous manner. The proposed estimation procedure does not require any interpolation processing of original datasets and is applicable to those with highest time resolution available. Consistency of the proposed estimators is shown under the continuous-time framework that has been developed in our previous work Hayashi and Koike (2018). An empirical application to a quote dataset of the NASDAQ-100 assets identifies two types of lead-lag relationships at different time scales.




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Semiparametric Optimal Estimation With Nonignorable Nonresponse Data. (arXiv:1612.09207v3 [stat.ME] UPDATED)

When the response mechanism is believed to be not missing at random (NMAR), a valid analysis requires stronger assumptions on the response mechanism than standard statistical methods would otherwise require. Semiparametric estimators have been developed under the model assumptions on the response mechanism. In this paper, a new statistical test is proposed to guarantee model identifiability without using any instrumental variable. Furthermore, we develop optimal semiparametric estimation for parameters such as the population mean. Specifically, we propose two semiparametric optimal estimators that do not require any model assumptions other than the response mechanism. Asymptotic properties of the proposed estimators are discussed. An extensive simulation study is presented to compare with some existing methods. We present an application of our method using Korean Labor and Income Panel Survey data.




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Alternating Maximization: Unifying Framework for 8 Sparse PCA Formulations and Efficient Parallel Codes. (arXiv:1212.4137v2 [stat.ML] UPDATED)

Given a multivariate data set, sparse principal component analysis (SPCA) aims to extract several linear combinations of the variables that together explain the variance in the data as much as possible, while controlling the number of nonzero loadings in these combinations. In this paper we consider 8 different optimization formulations for computing a single sparse loading vector; these are obtained by combining the following factors: we employ two norms for measuring variance (L2, L1) and two sparsity-inducing norms (L0, L1), which are used in two different ways (constraint, penalty). Three of our formulations, notably the one with L0 constraint and L1 variance, have not been considered in the literature. We give a unifying reformulation which we propose to solve via a natural alternating maximization (AM) method. We show the the AM method is nontrivially equivalent to GPower (Journ'{e}e et al; JMLR 11:517--553, 2010) for all our formulations. Besides this, we provide 24 efficient parallel SPCA implementations: 3 codes (multi-core, GPU and cluster) for each of the 8 problems. Parallelism in the methods is aimed at i) speeding up computations (our GPU code can be 100 times faster than an efficient serial code written in C++), ii) obtaining solutions explaining more variance and iii) dealing with big data problems (our cluster code is able to solve a 357 GB problem in about a minute).




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Nonstationary Bayesian modeling for a large data set of derived surface temperature return values. (arXiv:2005.03658v1 [stat.ME])

Heat waves resulting from prolonged extreme temperatures pose a significant risk to human health globally. Given the limitations of observations of extreme temperature, climate models are often used to characterize extreme temperature globally, from which one can derive quantities like return values to summarize the magnitude of a low probability event for an arbitrary geographic location. However, while these derived quantities are useful on their own, it is also often important to apply a spatial statistical model to such data in order to, e.g., understand how the spatial dependence properties of the return values vary over space and emulate the climate model for generating additional spatial fields with corresponding statistical properties. For these objectives, when modeling global data it is critical to use a nonstationary covariance function. Furthermore, given that the output of modern global climate models can be on the order of $mathcal{O}(10^4)$, it is important to utilize approximate Gaussian process methods to enable inference. In this paper, we demonstrate the application of methodology introduced in Risser and Turek (2020) to conduct a nonstationary and fully Bayesian analysis of a large data set of 20-year return values derived from an ensemble of global climate model runs with over 50,000 spatial locations. This analysis uses the freely available BayesNSGP software package for R.




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Local Cascade Ensemble for Multivariate Data Classification. (arXiv:2005.03645v1 [cs.LG])

We present LCE, a Local Cascade Ensemble for traditional (tabular) multivariate data classification, and its extension LCEM for Multivariate Time Series (MTS) classification. LCE is a new hybrid ensemble method that combines an explicit boosting-bagging approach to handle the usual bias-variance tradeoff faced by machine learning models and an implicit divide-and-conquer approach to individualize classifier errors on different parts of the training data. Our evaluation firstly shows that the hybrid ensemble method LCE outperforms the state-of-the-art classifiers on the UCI datasets and that LCEM outperforms the state-of-the-art MTS classifiers on the UEA datasets. Furthermore, LCEM provides explainability by design and manifests robust performance when faced with challenges arising from continuous data collection (different MTS length, missing data and noise).




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Domain Adaptation in Highly Imbalanced and Overlapping Datasets. (arXiv:2005.03585v1 [cs.LG])

In many Machine Learning domains, datasets are characterized by highly imbalanced and overlapping classes. Particularly in the medical domain, a specific list of symptoms can be labeled as one of various different conditions. Some of these conditions may be more prevalent than others by several orders of magnitude. Here we present a novel unsupervised Domain Adaptation scheme for such datasets. The scheme, based on a specific type of Quantification, is designed to work under both label and conditional shifts. It is demonstrated on datasets generated from Electronic Health Records and provides high quality results for both Quantification and Domain Adaptation in very challenging scenarios. Potential benefits of using this scheme in the current COVID-19 outbreak, for estimation of prevalence and probability of infection, are discussed.




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Predictive Modeling of ICU Healthcare-Associated Infections from Imbalanced Data. Using Ensembles and a Clustering-Based Undersampling Approach. (arXiv:2005.03582v1 [cs.LG])

Early detection of patients vulnerable to infections acquired in the hospital environment is a challenge in current health systems given the impact that such infections have on patient mortality and healthcare costs. This work is focused on both the identification of risk factors and the prediction of healthcare-associated infections in intensive-care units by means of machine-learning methods. The aim is to support decision making addressed at reducing the incidence rate of infections. In this field, it is necessary to deal with the problem of building reliable classifiers from imbalanced datasets. We propose a clustering-based undersampling strategy to be used in combination with ensemble classifiers. A comparative study with data from 4616 patients was conducted in order to validate our proposal. We applied several single and ensemble classifiers both to the original dataset and to data preprocessed by means of different resampling methods. The results were analyzed by means of classic and recent metrics specifically designed for imbalanced data classification. They revealed that the proposal is more efficient in comparison with other approaches.




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On unbalanced data and common shock models in stochastic loss reserving. (arXiv:2005.03500v1 [q-fin.RM])

Introducing common shocks is a popular dependence modelling approach, with some recent applications in loss reserving. The main advantage of this approach is the ability to capture structural dependence coming from known relationships. In addition, it helps with the parsimonious construction of correlation matrices of large dimensions. However, complications arise in the presence of "unbalanced data", that is, when (expected) magnitude of observations over a single triangle, or between triangles, can vary substantially. Specifically, if a single common shock is applied to all of these cells, it can contribute insignificantly to the larger values and/or swamp the smaller ones, unless careful adjustments are made. This problem is further complicated in applications involving negative claim amounts. In this paper, we address this problem in the loss reserving context using a common shock Tweedie approach for unbalanced data. We show that the solution not only provides a much better balance of the common shock proportions relative to the unbalanced data, but it is also parsimonious. Finally, the common shock Tweedie model also provides distributional tractability.




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Deep learning of physical laws from scarce data. (arXiv:2005.03448v1 [cs.LG])

Harnessing data to discover the underlying governing laws or equations that describe the behavior of complex physical systems can significantly advance our modeling, simulation and understanding of such systems in various science and engineering disciplines. Recent advances in sparse identification show encouraging success in distilling closed-form governing equations from data for a wide range of nonlinear dynamical systems. However, the fundamental bottleneck of this approach lies in the robustness and scalability with respect to data scarcity and noise. This work introduces a novel physics-informed deep learning framework to discover governing partial differential equations (PDEs) from scarce and noisy data for nonlinear spatiotemporal systems. In particular, this approach seamlessly integrates the strengths of deep neural networks for rich representation learning, automatic differentiation and sparse regression to approximate the solution of system variables, compute essential derivatives, as well as identify the key derivative terms and parameters that form the structure and explicit expression of the PDEs. The efficacy and robustness of this method are demonstrated on discovering a variety of PDE systems with different levels of data scarcity and noise. The resulting computational framework shows the potential for closed-form model discovery in practical applications where large and accurate datasets are intractable to capture.




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Interpreting Deep Models through the Lens of Data. (arXiv:2005.03442v1 [cs.LG])

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.




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A Locally Adaptive Interpretable Regression. (arXiv:2005.03350v1 [stat.ML])

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.




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Subdomain Adaptation with Manifolds Discrepancy Alignment. (arXiv:2005.03229v1 [cs.LG])

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.




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Deep Learning Framework for Detecting Ground Deformation in the Built Environment using Satellite InSAR data. (arXiv:2005.03221v1 [cs.CV])

The large volumes of Sentinel-1 data produced over Europe are being used to develop pan-national ground motion services. However, simple analysis techniques like thresholding cannot detect and classify complex deformation signals reliably making providing usable information to a broad range of non-expert stakeholders a challenge. Here we explore the applicability of deep learning approaches by adapting a pre-trained convolutional neural network (CNN) to detect deformation in a national-scale velocity field. For our proof-of-concept, we focus on the UK where previously identified deformation is associated with coal-mining, ground water withdrawal, landslides and tunnelling. The sparsity of measurement points and the presence of spike noise make this a challenging application for deep learning networks, which involve calculations of the spatial convolution between images. Moreover, insufficient ground truth data exists to construct a balanced training data set, and the deformation signals are slower and more localised than in previous applications. We propose three enhancement methods to tackle these problems: i) spatial interpolation with modified matrix completion, ii) a synthetic training dataset based on the characteristics of real UK velocity map, and iii) enhanced over-wrapping techniques. Using velocity maps spanning 2015-2019, our framework detects several areas of coal mining subsidence, uplift due to dewatering, slate quarries, landslides and tunnel engineering works. The results demonstrate the potential applicability of the proposed framework to the development of automated ground motion analysis systems.