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We present a stochastic method for efficiently computing the solution of time-fractional partial differential equations (fPDEs) that model anomalous diffusion problems of the subdiffusive type. After discretizing the fPDE in space, the ensuing system of fractional linear equations is solved resorting to a Monte Carlo evaluation of the corresponding Mittag-Leffler matrix function. This is accomplished through the approximation of the expected value of a suitable multiplicative functional of a stochastic process, which consists of a Markov chain whose sojourn times in every state are Mittag-Leffler distributed. The resulting algorithm is able to calculate the solution at conveniently chosen points in the domain with high efficiency. In addition, we present how to generalize this algorithm in order to compute the complete solution. For several large-scale numerical problems, our method showed remarkable performance in both shared-memory and distributed-memory systems, achieving nearly perfect scalability up to 16,384 CPU cores.

The Virtual Element Method (VEM) is a novel family of numerical methods for approximating partial differential equations on very general polygonal or polyhedral computational grids. This work aims to propose a Balancing Domain Decomposition by Constraints (BDDC) preconditioner that allows using the conjugate gradient method to compute the solution of the saddle-point linear systems arising from the VEM discretization of the three-dimensional Stokes equations. We prove the scalability and quasi-optimality of the algorithm and confirm the theoretical findings with parallel computations. Numerical results with adaptively generated coarse spaces confirm the method's robustness in the presence of large jumps in the viscosity and with high-order VEM discretizations.

Precise estimation of cross-correlation or similarity between two random variables lies at the heart of signal detection, hyperdimensional computing, associative memories, and neural networks. Although a vast literature exists on different methods for estimating cross-correlations, the question what is the best and simplest method to estimate cross-correlations using finite samples ? is still not clear. In this paper, we first argue that the standard empirical approach might not be the optimal method even though the estimator exhibits uniform convergence to the true cross-correlation. Instead, we show that there exists a large class of simple non-linear functions that can be used to construct cross-correlators with a higher signal-to-noise ratio (SNR). To demonstrate this, we first present a general mathematical framework using Price's Theorem that allows us to analyze cross-correlators constructed using a mixture of piece-wise linear functions. Using this framework and high-dimensional embedding, we show that some of the most promising cross-correlators are based on Huber's loss functions, margin-propagation (MP) functions, and the log-sum-exp functions.

Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.

Forecasting has always been at the forefront of decision making and planning. The uncertainty that surrounds the future is both exciting and challenging, with individuals and organisations seeking to minimise risks and maximise utilities. The large number of forecasting applications calls for a diverse set of forecasting methods to tackle real-life challenges. This article provides a non-systematic review of the theory and the practice of forecasting. We provide an overview of a wide range of theoretical, state-of-the-art models, methods, principles, and approaches to prepare, produce, organise, and evaluate forecasts. We then demonstrate how such theoretical concepts are applied in a variety of real-life contexts. We do not claim that this review is an exhaustive list of methods and applications. However, we wish that our encyclopedic presentation will offer a point of reference for the rich work that has been undertaken over the last decades, with some key insights for the future of forecasting theory and practice. Given its encyclopedic nature, the intended mode of reading is non-linear. We offer cross-references to allow the readers to navigate through the various topics. We complement the theoretical concepts and applications covered by large lists of free or open-source software implementations and publicly-available databases.

Deep neural networks (DNNs) have become a proven and indispensable machine learning tool. As a black-box model, it remains difficult to diagnose what aspects of the model's input drive the decisions of a DNN. In countless real-world domains, from legislation and law enforcement to healthcare, such diagnosis is essential to ensure that DNN decisions are driven by aspects appropriate in the context of its use. The development of methods and studies enabling the explanation of a DNN's decisions has thus blossomed into an active, broad area of research. A practitioner wanting to study explainable deep learning may be intimidated by the plethora of orthogonal directions the field has taken. This complexity is further exacerbated by competing definitions of what it means ``to explain'' the actions of a DNN and to evaluate an approach's ``ability to explain''. This article offers a field guide to explore the space of explainable deep learning aimed at those uninitiated in the field. The field guide: i) Introduces three simple dimensions defining the space of foundational methods that contribute to explainable deep learning, ii) discusses the evaluations for model explanations, iii) places explainability in the context of other related deep learning research areas, and iv) finally elaborates on user-oriented explanation designing and potential future directions on explainable deep learning. We hope the guide is used as an easy-to-digest starting point for those just embarking on research in this field.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

Person Re-identification (re-id) faces two major challenges: the lack of cross-view paired training data and learning discriminative identity-sensitive and view-invariant features in the presence of large pose variations. In this work, we address both problems by proposing a novel deep person image generation model for synthesizing realistic person images conditional on pose. The model is based on a generative adversarial network (GAN) and used specifically for pose normalization in re-id, thus termed pose-normalization GAN (PN-GAN). With the synthesized images, we can learn a new type of deep re-id feature free of the influence of pose variations. We show that this feature is strong on its own and highly complementary to features learned with the original images. Importantly, we now have a model that generalizes to any new re-id dataset without the need for collecting any training data for model fine-tuning, thus making a deep re-id model truly scalable. Extensive experiments on five benchmarks show that our model outperforms the state-of-the-art models, often significantly. In particular, the features learned on Market-1501 can achieve a Rank-1 accuracy of 68.67% on VIPeR without any model fine-tuning, beating almost all existing models fine-tuned on the dataset.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.