Bayesian optimisation (BO) algorithms have shown remarkable success in applications involving expensive black-box functions. Traditionally BO has been set as a sequential decision-making process which estimates the utility of query points via an acquisition function and a prior over functions, such as a Gaussian process. Recently, however, a reformulation of BO via density-ratio estimation (BORE) allowed reinterpreting the acquisition function as a probabilistic binary classifier, removing the need for an explicit prior over functions and increasing scalability. In this paper, we present a theoretical analysis of BORE's regret and an extension of the algorithm with improved uncertainty estimates. We also show that BORE can be naturally extended to a batch optimisation setting by recasting the problem as approximate Bayesian inference. The resulting algorithms come equipped with theoretical performance guarantees and are assessed against other batch and sequential BO baselines in a series of experiments.
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Good models require good training data. For overparameterized deep models, the causal relationship between training data and model predictions is increasingly opaque and poorly understood. Influence analysis partially demystifies training's underlying interactions by quantifying the amount each training instance alters the final model. Measuring the training data's influence exactly can be provably hard in the worst case; this has led to the development and use of influence estimators, which only approximate the true influence. This paper provides the first comprehensive survey of training data influence analysis and estimation. We begin by formalizing the various, and in places orthogonal, definitions of training data influence. We then organize state-of-the-art influence analysis methods into a taxonomy; we describe each of these methods in detail and compare their underlying assumptions, asymptotic complexities, and overall strengths and weaknesses. Finally, we propose future research directions to make influence analysis more useful in practice as well as more theoretically and empirically sound. A curated, up-to-date list of resources related to influence analysis is available at //github.com/ZaydH/influence_analysis_papers.
This paper investigates the mean square error (MSE)-optimal conditional mean estimator (CME) in one-bit quantized systems in the context of channel estimation with jointly Gaussian inputs. We analyze the relationship of the generally nonlinear CME to the linear Bussgang estimator, a well-known method based on Bussgang's theorem. We highlight a novel observation that the Bussgang estimator is equal to the CME for different special cases, including the case of univariate Gaussian inputs and the case of multiple observations in the absence of additive noise prior to the quantization. For the general cases we conduct numerical simulations to quantify the gap between the Bussgang estimator and the CME. This gap increases for higher dimensions and longer pilot sequences. We propose an optimal pilot sequence, motivated by insights from the CME, and derive a novel closed-form expression of the MSE for that case. Afterwards, we find a closed-form limit of the MSE in the asymptotically large number of pilots regime that also holds for the Bussgang estimator. Lastly, we present numerical experiments for various system parameters and for different performance metrics which illuminate the behavior of the optimal channel estimator in the quantized regime. In this context, the well-known stochastic resonance effect that appears in quantized systems can be quantified.
Mathematical models are essential for understanding and making predictions about systems arising in nature and engineering. Yet, mathematical models are a simplification of true phenomena, thus making predictions subject to uncertainty. Hence, the ability to quantify uncertainties is essential to any modelling framework, enabling the user to assess the importance of certain parameters on quantities of interest and have control over the quality of the model output by providing a rigorous understanding of uncertainty. Peridynamic models are a particular class of mathematical models that have proven to be remarkably accurate and robust for a large class of material failure problems. However, the high computational expense of peridynamic models remains a major limitation, hindering outer-loop applications that require a large number of simulations, for example, uncertainty quantification. This contribution provides a framework to make such computations feasible. By employing a Multilevel Monte Carlo (MLMC) framework, where the majority of simulations are performed using a coarse mesh, and performing relatively few simulations using a fine mesh, a significant reduction in computational cost can be realised, and statistics of structural failure can be estimated. The results show a speed-up factor of 16x over a standard Monte Carlo estimator, enabling the forward propagation of uncertain parameters in a computationally expensive peridynamic model. Furthermore, the multilevel method provides an estimate of both the discretisation error and sampling error, thus improving the confidence in numerical predictions. The performance of the approach is demonstrated through an examination of the statistical size effect in quasi-brittle materials.
Denoising diffusion probabilistic models are a promising new class of generative models that mark a milestone in high-quality image generation. This paper showcases their ability to sequentially generate video, surpassing prior methods in perceptual and probabilistic forecasting metrics. We propose an autoregressive, end-to-end optimized video diffusion model inspired by recent advances in neural video compression. The model successively generates future frames by correcting a deterministic next-frame prediction using a stochastic residual generated by an inverse diffusion process. We compare this approach against five baselines on four datasets involving natural and simulation-based videos. We find significant improvements in terms of perceptual quality for all datasets. Furthermore, by introducing a scalable version of the Continuous Ranked Probability Score (CRPS) applicable to video, we show that our model also outperforms existing approaches in their probabilistic frame forecasting ability.
Results on the spectral behavior of random matrices as the dimension increases are applied to the problem of detecting the number of sources impinging on an array of sensors. A common strategy to solve this problem is to estimate the multiplicity of the smallest eigenvalue of the spatial covariance matrix $R$ of the sensed data from the sample covariance matrix $\widehat{R}$. Existing approaches, such as that based on information theoretic criteria, rely on the closeness of the noise eigenvalues of $\widehat R$ to each other and, therefore, the sample size has to be quite large when the number of sources is large in order to obtain a good estimate. The analysis presented in this report focuses on the splitting of the spectrum of $\widehat{R}$ into noise and signal eigenvalues. It is shown that, when the number of sensors is large, the number of signals can be estimated with a sample size considerably less than that required by previous approaches. The practical significance of the main result is that detection can be achieved with a number of samples comparable to the number of sensors in large dimensional array processing.
The A* algorithm is commonly used to solve NP-hard combinatorial optimization problems. When provided with a completely informed heuristic function, A* solves many NP-hard minimum-cost path problems in time polynomial in the branching factor and the number of edges in a minimum-cost path. Thus, approximating their completely informed heuristic functions with high precision is NP-hard. We therefore examine recent publications that propose the use of neural networks for this purpose. We support our claim that these approaches do not scale to large instance sizes both theoretically and experimentally. Our first experimental results for three representative NP-hard minimum-cost path problems suggest that using neural networks to approximate completely informed heuristic functions with high precision might result in network sizes that scale exponentially in the instance sizes. The research community might thus benefit from investigating other ways of integrating heuristic search with machine learning.
We consider the problem of estimating the optimal transport map between a (fixed) source distribution $P$ and an unknown target distribution $Q$, based on samples from $Q$. The estimation of such optimal transport maps has become increasingly relevant in modern statistical applications, such as generative modeling. At present, estimation rates are only known in a few settings (e.g. when $P$ and $Q$ have densities bounded above and below and when the transport map lies in a H\"older class), which are often not reflected in practice. We present a unified methodology for obtaining rates of estimation of optimal transport maps in general function spaces. Our assumptions are significantly weaker than those appearing in the literature: we require only that the source measure $P$ satisfies a Poincar\'e inequality and that the optimal map be the gradient of a smooth convex function that lies in a space whose metric entropy can be controlled. As a special case, we recover known estimation rates for bounded densities and H\"older transport maps, but also obtain nearly sharp results in many settings not covered by prior work. For example, we provide the first statistical rates of estimation when $P$ is the normal distribution and the transport map is given by an infinite-width shallow neural network.
We propose a new wavelet-based method for density estimation when the data are size-biased. More specifically, we consider a power of the density of interest, where this power exceeds 1/2. Warped wavelet bases are employed, where warping is attained by some continuous cumulative distribution function. A special case is the conventional orthonormal wavelet estimation, where the warping distribution is the standard continuous uniform. We show that both linear and nonlinear wavelet estimators are consistent, with optimal and/or near-optimal rates. Monte Carlo simulations are performed to compare four special settings which are easy to interpret in practice. An application with a real dataset on fatal traffic accidents involving alcohol illustrates the method. We observe that warped bases provide more flexible and superior estimates for both simulated and real data. Moreover, we find that estimating the power of a density (for instance, its square root) further improves the results.
We propose a novel method for 3D shape completion from a partial observation of a point cloud. Existing methods either operate on a global latent code, which limits the expressiveness of their model, or autoregressively estimate the local features, which is highly computationally extensive. Instead, our method estimates the entire local feature field by a single feedforward network by formulating this problem as a tensor completion problem on the feature volume of the object. Due to the redundancy of local feature volumes, this tensor completion problem can be further reduced to estimating the canonical factors of the feature volume. A hierarchical variational autoencoder (VAE) with tiny MLPs is used to probabilistically estimate the canonical factors of the complete feature volume. The effectiveness of the proposed method is validated by comparing it with the state-of-the-art method quantitatively and qualitatively. Further ablation studies also show the need to adopt a hierarchical architecture to capture the multimodal distribution of possible shapes.
Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.
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