Interaction-Aware Sensitivity Analysis for Aerodynamic Optimization Results using Information Theory
An important issue during an engineering design process is to develop an understanding which design parameters have the most influence on the performance. Especially in the context of optimization approaches this knowledge is crucial in order to realize an efficient design process and achieve high-performing results. Information theory provides powerful tools to investigate these relationships because measures are model-free and thus also capture non-linear relationships, while requiring only minimal assumptions on the input data. We therefore propose to use recently introduced information-theoretic methods and estimation algorithms to find the most influential input parameters in optimization results. The proposed methods are in particular able to account for interactions between parameters, which are often neglected but may lead to redundant or synergistic contributions of multiple parameters. We demonstrate the application of these methods on optimization data from aerospace engineering, where we first identify the most relevant optimization parameters using a recently introduced information-theoretic feature-selection algorithm that accounts for interactions between parameters. Second, we use the novel partial information decomposition (PID) framework that allows to quantify redundant and synergistic contributions between selected parameters with respect to the optimization outcome to identify parameter interactions. We thus demonstrate the power of novel information-theoretic approaches in identifying relevant parameters in optimization runs and highlight how these methods avoid the selection of redundant parameters, while detecting interactions that result in synergistic contributions of multiple parameters.
相關內容
Gaussian mixture models (GMM) are fundamental tools in statistical and data sciences. We study the moments of multivariate Gaussians and GMMs. The $d$-th moment of an $n$-dimensional random variable is a symmetric $d$-way tensor of size $n^d$, so working with moments naively is assumed to be prohibitively expensive for $d>2$ and larger values of $n$. In this work, we develop theory and numerical methods for implicit computations with moment tensors of GMMs, reducing the computational and storage costs to $\mathcal{O}(n^2)$ and $\mathcal{O}(n^3)$, respectively, for general covariance matrices, and to $\mathcal{O}(n)$ and $\mathcal{O}(n)$, respectively, for diagonal ones. We derive concise analytic expressions for the moments in terms of symmetrized tensor products, relying on the correspondence between symmetric tensors and homogeneous polynomials, and combinatorial identities involving Bell polynomials. The primary application of this theory is to estimating GMM parameters from a set of observations, when formulated as a moment-matching optimization problem. If there is a known and common covariance matrix, we also show it is possible to debias the data observations, in which case the problem of estimating the unknown means reduces to symmetric CP tensor decomposition. Numerical results validate and illustrate the numerical efficiency of our approaches. This work potentially opens the door to the competitiveness of the method of moments as compared to expectation maximization methods for parameter estimation of GMMs.
This work shows that a diverse collection of linear optimization methods, when run on general data, fail to overfit, despite lacking any explicit constraints or regularization: with high probability, their trajectories stay near the curve of optimal constrained solutions over the population distribution. This analysis is powered by an elementary but flexible proof scheme which can handle many settings, summarized as follows. Firstly, the data can be general: unlike other implicit bias works, it need not satisfy large margin or other structural conditions, and moreover can arrive sequentially IID, sequentially following a Markov chain, as a batch, and lastly it can have heavy tails. Secondly, while the main analysis is for mirror descent, rates are also provided for the Temporal-Difference fixed-point method from reinforcement learning; all prior high probability analyses in these settings required bounded iterates, bounded updates, bounded noise, or some equivalent. Thirdly, the losses are general, and for instance the logistic and squared losses can be handled simultaneously, unlike other implicit bias works. In all of these settings, not only is low population error guaranteed with high probability, but moreover low sample complexity is guaranteed so long as there exists any low-complexity near-optimal solution, even if the global problem structure and in particular global optima have high complexity.
Many statistical estimators for high-dimensional linear regression are M-estimators, formed through minimizing a data-dependent square loss function plus a regularizer. This work considers a new class of estimators implicitly defined through a discretized gradient dynamic system under overparameterization. We show that under suitable restricted isometry conditions, overparameterization leads to implicit regularization: if we directly apply gradient descent to the residual sum of squares with sufficiently small initial values, then under some proper early stopping rule, the iterates converge to a nearly sparse rate-optimal solution that improves over explicitly regularized approaches. In particular, the resulting estimator does not suffer from extra bias due to explicit penalties, and can achieve the parametric root-n rate when the signal-to-noise ratio is sufficiently high. We also perform simulations to compare our methods with high dimensional linear regression with explicit regularization. Our results illustrate the advantages of using implicit regularization via gradient descent after overparameterization in sparse vector estimation.
In this paper, a general framework is formalised to characterise the value of information (VoI) in hidden Markov models. Specifically, the VoI is defined as the mutual information between the current, unobserved status at the source and a sequence of observed measurements at the receiver, which can be interpreted as the reduction in the uncertainty of the current status given that we have noisy past observations of a hidden Markov process. We explore the VoI in the context of the noisy Ornstein-Uhlenbeck process and derive its closed-form expressions. Moreover, we investigate the effect of different sampling policies on VoI, deriving simplified expressions in different noise regimes and analysing statistical properties of the VoI in the worst case. We also study the optimal sampling policy to maximise the average information value under the sampling rate constraint. In simulations, the validity of theoretical results is verified, and the performance of VoI in Markov and hidden Markov models is also analysed. Numerical results further illustrate that the proposed VoI framework can support timely transmission in status update systems, and it can also capture the correlation properties of the underlying random process and the noise in the transmission environment.
Adaptive optimization methods have become the default solvers for many machine learning tasks. Unfortunately, the benefits of adaptivity may degrade when training with differential privacy, as the noise added to ensure privacy reduces the effectiveness of the adaptive preconditioner. To this end, we propose AdaDPS, a general framework that uses non-sensitive side information to precondition the gradients, allowing the effective use of adaptive methods in private settings. We formally show AdaDPS reduces the amount of noise needed to achieve similar privacy guarantees, thereby improving optimization performance. Empirically, we leverage simple and readily available side information to explore the performance of AdaDPS in practice, comparing to strong baselines in both centralized and federated settings. Our results show that AdaDPS improves accuracy by 7.7% (absolute) on average -- yielding state-of-the-art privacy-utility trade-offs on large-scale text and image benchmarks.
Since proposed in the 70s, the Non-Equilibrium Green Function (NEGF) method has been recognized as a standard approach to quantum transport simulations. Although it achieves superiority in simulation accuracy, the tremendous computational cost makes it unbearable for high-throughput simulation tasks such as sensitivity analysis, inverse design, etc. In this work, we propose AD-NEGF, to our best knowledge the first end-to-end differentiable NEGF model for quantum transport simulations. We implement the entire numerical process in PyTorch, and design customized backward pass with implicit layer techniques, which provides gradient information at an affordable cost while guaranteeing the correctness of the forward simulation. The proposed model is validated with applications in calculating differential physical quantities, empirical parameter fitting, and doping optimization, which demonstrates its capacity to accelerate the material design process by conducting gradient-based parameter optimization.
The motivation for this paper comes from the ongoing SARS-CoV-2 Pandemic. Its goal is to present a previously neglected approach to non-adaptive group testing and describes it in terms of residuated pairs on partially ordered sets. Our investigation has the advantage, as it naturally yields an efficient decision scheme (decoder) for any given testing scheme. This decoder allows to detect a large amount of infection patterns. Apart from this, we devise a construction of good group testing schemes that are based on incidence matrices of finite partial linear spaces. The key idea is to exploit the structure of these matrices and make them available as test matrices for group testing. These matrices may generally be tailored for different estimated disease prevalence levels. As an example, we discuss the group testing schemes based on generalized quadrangles. In the context at hand, we state our results only for the error-free case so far. An extension to a noisy scenario is desirable and will be treated in a subsequent account on the topic.
Co-evolving time series appears in a multitude of applications such as environmental monitoring, financial analysis, and smart transportation. This paper aims to address the following challenges, including (C1) how to incorporate explicit relationship networks of the time series; (C2) how to model the implicit relationship of the temporal dynamics. We propose a novel model called Network of Tensor Time Series, which is comprised of two modules, including Tensor Graph Convolutional Network (TGCN) and Tensor Recurrent Neural Network (TRNN). TGCN tackles the first challenge by generalizing Graph Convolutional Network (GCN) for flat graphs to tensor graphs, which captures the synergy between multiple graphs associated with the tensors. TRNN leverages tensor decomposition to model the implicit relationships among co-evolving time series. The experimental results on five real-world datasets demonstrate the efficacy of the proposed method.
Many resource allocation problems in the cloud can be described as a basic Virtual Network Embedding Problem (VNEP): finding mappings of request graphs (describing the workloads) onto a substrate graph (describing the physical infrastructure). In the offline setting, the two natural objectives are profit maximization, i.e., embedding a maximal number of request graphs subject to the resource constraints, and cost minimization, i.e., embedding all requests at minimal overall cost. The VNEP can be seen as a generalization of classic routing and call admission problems, in which requests are arbitrary graphs whose communication endpoints are not fixed. Due to its applications, the problem has been studied intensively in the networking community. However, the underlying algorithmic problem is hardly understood. This paper presents the first fixed-parameter tractable approximation algorithms for the VNEP. Our algorithms are based on randomized rounding. Due to the flexible mapping options and the arbitrary request graph topologies, we show that a novel linear program formulation is required. Only using this novel formulation the computation of convex combinations of valid mappings is enabled, as the formulation needs to account for the structure of the request graphs. Accordingly, to capture the structure of request graphs, we introduce the graph-theoretic notion of extraction orders and extraction width and show that our algorithms have exponential runtime in the request graphs' maximal width. Hence, for request graphs of fixed extraction width, we obtain the first polynomial-time approximations. Studying the new notion of extraction orders we show that (i) computing extraction orders of minimal width is NP-hard and (ii) that computing decomposable LP solutions is in general NP-hard, even when restricting request graphs to planar ones.
Multi-view networks are ubiquitous in real-world applications. In order to extract knowledge or business value, it is of interest to transform such networks into representations that are easily machine-actionable. Meanwhile, network embedding has emerged as an effective approach to generate distributed network representations. Therefore, we are motivated to study the problem of multi-view network embedding, with a focus on the characteristics that are specific and important in embedding this type of networks. In our practice of embedding real-world multi-view networks, we identify two such characteristics, which we refer to as preservation and collaboration. We then explore the feasibility of achieving better embedding quality by simultaneously modeling preservation and collaboration, and propose the mvn2vec algorithms. With experiments on a series of synthetic datasets, an internal Snapchat dataset, and two public datasets, we further confirm the presence and importance of preservation and collaboration. These experiments also demonstrate that better embedding can be obtained by simultaneously modeling the two characteristics, while not over-complicating the model or requiring additional supervision.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191