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Bayesian inference provides a systematic framework for integration of data with mathematical models to quantify the uncertainty in the solution of the inverse problem. However, the solution of Bayesian inverse problems governed by complex forward models described by partial differential equations (PDEs) remains prohibitive with black-box Markov chain Monte Carlo (MCMC) methods. We present hIPPYlib-MUQ, an extensible and scalable software framework that contains implementations of state-of-the art algorithms aimed to overcome the challenges of high-dimensional, PDE-constrained Bayesian inverse problems. These algorithms accelerate MCMC sampling by exploiting the geometry and intrinsic low-dimensionality of parameter space via derivative information and low rank approximation. The software integrates two complementary open-source software packages, hIPPYlib and MUQ. hIPPYlib solves PDE-constrained inverse problems using automatically-generated adjoint-based derivatives, but it lacks full Bayesian capabilities. MUQ provides a spectrum of powerful Bayesian inversion models and algorithms, but expects forward models to come equipped with gradients and Hessians to permit large-scale solution. By combining these two libraries, we created a robust, scalable, and efficient software framework that realizes the benefits of each and allows us to tackle complex large-scale Bayesian inverse problems. To illustrate the capabilities of hIPPYlib-MUQ, we present a comparison of a number of MCMC methods on several inverse problems. These include problems with linear and nonlinear PDEs, various noise models, and different parameter dimensions. The results demonstrate that large ($\sim 50\times$) speedups over conventional black box and gradient-based MCMC algorithms can be obtained by exploiting Hessian information (from the log posterior), underscoring the power of the integrated hIPPYlib-MUQ framework.

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Integration:Integration, the VLSI Journal。 Explanation:集成,VLSI雜志。 Publisher:Elsevier。 SIT:

Time series classification is an important problem in real world. Due to its non-stationary property that the distribution changes over time, it remains challenging to build models for generalization to unseen distributions. In this paper, we propose to view the time series classification problem from the distribution perspective. We argue that the temporal complexity attributes to the unknown latent distributions within. To this end, we propose DIVERSIFY to learn generalized representations for time series classification. DIVERSIFY takes an iterative process: it first obtains the worst-case distribution scenario via adversarial training, then matches the distributions of the obtained sub-domains. We also present some theoretical insights. We conduct experiments on gesture recognition, speech commands recognition, wearable stress and affect detection, and sensor-based human activity recognition with a total of seven datasets in different settings. Results demonstrate that DIVERSIFY significantly outperforms other baselines and effectively characterizes the latent distributions by qualitative and quantitative analysis. Code is available at: //github.com/microsoft/robustlearn.

Equipping predicted segmentation with calibrated uncertainty is essential for safety-critical applications. In this work, we focus on capturing the data-inherent uncertainty (aka aleatoric uncertainty) in segmentation, typically when ambiguities exist in input images. Due to the high-dimensional output space and potential multiple modes in segmenting ambiguous images, it remains challenging to predict well-calibrated uncertainty for segmentation. To tackle this problem, we propose a novel mixture of stochastic experts (MoSE) model, where each expert network estimates a distinct mode of the aleatoric uncertainty and a gating network predicts the probabilities of an input image being segmented in those modes. This yields an efficient two-level uncertainty representation. To learn the model, we develop a Wasserstein-like loss that directly minimizes the distribution distance between the MoSE and ground truth annotations. The loss can easily integrate traditional segmentation quality measures and be efficiently optimized via constraint relaxation. We validate our method on the LIDC-IDRI dataset and a modified multimodal Cityscapes dataset. Results demonstrate that our method achieves the state-of-the-art or competitive performance on all metrics.

We introduce the Weak-form Estimation of Nonlinear Dynamics (WENDy) method for estimating model parameters for non-linear systems of ODEs. The core mathematical idea involves an efficient conversion of the strong form representation of a model to its weak form, and then solving a regression problem to perform parameter inference. The core statistical idea rests on the Errors-In-Variables framework, which necessitates the use of the iteratively reweighted least squares algorithm. Further improvements are obtained by using orthonormal test functions, created from a set of $C^{\infty}$ bump functions of varying support sizes. We demonstrate that WENDy is a highly robust and efficient method for parameter inference in differential equations. Without relying on any numerical differential equation solvers, WENDy computes accurate estimates and is robust to large (biologically relevant) levels of measurement noise. For low dimensional systems with modest amounts of data, WENDy is competitive with conventional forward solver-based nonlinear least squares methods in terms of speed and accuracy. For both higher dimensional systems and stiff systems, WENDy is typically both faster (often by orders of magnitude) and more accurate than forward solver-based approaches. We illustrate the method and its performance in some common population and neuroscience models, including logistic growth, Lotka-Volterra, FitzHugh-Nagumo, Hindmarsh-Rose, and a Protein Transduction Benchmark model. Software and code for reproducing the examples is available at (//github.com/MathBioCU/WENDy).

In real-world phenomena which involve mutual influence or causal effects between interconnected units, equilibrium states are typically represented with cycles in graphical models. An expressive class of graphical models, relational causal models, can represent and reason about complex dynamic systems exhibiting such cycles or feedback loops. Existing cyclic causal discovery algorithms for learning causal models from observational data assume that the data instances are independent and identically distributed which makes them unsuitable for relational causal models. At the same time, causal discovery algorithms for relational causal models assume acyclicity. In this work, we examine the necessary and sufficient conditions under which a constraint-based relational causal discovery algorithm is sound and complete for cyclic relational causal models. We introduce relational acyclification, an operation specifically designed for relational models that enables reasoning about the identifiability of cyclic relational causal models. We show that under the assumptions of relational acyclification and $\sigma$-faithfulness, the relational causal discovery algorithm RCD (Maier et al. 2013) is sound and complete for cyclic models. We present experimental results to support our claim.

We focus on the problem of generalizing a causal effect estimated on a randomized controlled trial (RCT) to a target population described by a set of covariates from observational data. Available methods such as inverse propensity sampling weighting are not designed to handle missing values, which are however common in both data sources. In addition to coupling the assumptions for causal effect identifiability and for the missing values mechanism and to defining appropriate estimation strategies, one difficulty is to consider the specific structure of the data with two sources and treatment and outcome only available in the RCT. We propose three multiple imputation strategies to handle missing values when generalizing treatment effects, each handling the multi-source structure of the problem differently (separate imputation, joint imputation with fixed effect, joint imputation ignoring source information). As an alternative to multiple imputation, we also propose a direct estimation approach that treats incomplete covariates as semi-discrete variables. The multiple imputation strategies and the latter alternative rely on different sets of assumptions concerning the impact of missing values on identifiability. We discuss these assumptions and assess the methods through an extensive simulation study. This work is motivated by the analysis of a large registry of over 20,000 major trauma patients and an RCT studying the effect of tranexamic acid administration on mortality in major trauma patients admitted to ICU. The analysis illustrates how the missing values handling can impact the conclusion about the effect generalized from the RCT to the target population.

Variational Inference (VI) is an attractive alternative to Markov Chain Monte Carlo (MCMC) due to its computational efficiency in the case of large datasets and/or complex models with high-dimensional parameters. However, evaluating the accuracy of variational approximations remains a challenge. Existing methods characterize the quality of the whole variational distribution, which is almost always poor in realistic applications, even if specific posterior functionals such as the component-wise means or variances are accurate. Hence, these diagnostics are of practical value only in limited circumstances. To address this issue, we propose the TArgeted Diagnostic for Distribution Approximation Accuracy (TADDAA), which uses many short parallel MCMC chains to obtain lower bounds on the error of each posterior functional of interest. We also develop a reliability check for TADDAA to determine when the lower bounds should not be trusted. Numerical experiments validate the practical utility and computational efficiency of our approach on a range of synthetic distributions and real-data examples, including sparse logistic regression and Bayesian neural network models.

Learning causal relationships from empirical observations is a central task in scientific research. A common method is to employ structural causal models that postulate noisy functional relations among a set of interacting variables. To ensure unique identifiability of causal directions, researchers consider restricted subclasses of structural causal models. Post-nonlinear (PNL) causal models constitute one of the most flexible options for such restricted subclasses, containing in particular the popular additive noise models as a further subclass. However, learning PNL models is not well studied beyond the bivariate case. The existing methods learn non-linear functional relations by minimizing residual dependencies and subsequently test independence from residuals to determine causal orientations. However, these methods can be prone to overfitting and, thus, difficult to tune appropriately in practice. As an alternative, we propose a new approach for PNL causal discovery that uses rank-based methods to estimate the functional parameters. This new approach exploits natural invariances of PNL models and disentangles the estimation of the non-linear functions from the independence tests used to find causal orientations. We prove consistency of our method and validate our results in numerical experiments.

This paper proposes a paradigm of uncertainty injection for training deep learning model to solve robust optimization problems. The majority of existing studies on deep learning focus on the model learning capability, while assuming the quality and accuracy of the inputs data can be guaranteed. However, in realistic applications of deep learning for solving optimization problems, the accuracy of inputs, which are the problem parameters in this case, plays a large role. This is because, in many situations, it is often costly or sometime impossible to obtain the problem parameters accurately, and correspondingly, it is highly desirable to develop learning algorithms that can account for the uncertainties in the input and produce solutions that are robust against these uncertainties. This paper presents a novel uncertainty injection scheme for training machine learning models that are capable of implicitly accounting for the uncertainties and producing statistically robust solutions. We further identify the wireless communications as an application field where uncertainties are prevalent in problem parameters such as the channel coefficients. We show the effectiveness of the proposed training scheme in two applications: the robust power loading for multiuser multiple-input-multiple-output (MIMO) downlink transmissions; and the robust power control for device-to-device (D2D) networks.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

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