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Distributionally Robust K-Means Clustering

Malik, Vikrant, Kargin, Taylan, Hassibi, Babak

arXiv.org Machine Learning

In recent years, the widespreadavailability of large-scale, high-dimensionaldatasets has driven significant interest in clustering algorithms that are both computationally efficient and robust to distributional shifts and outliers. The classical clustering method, K-means, can be seen as an application of the Lloyd-Max quantization algorithm, in which the distribution being quantized is the empirical distribution of the points to be clustered. This empirical distribution generally differs from the true underlying distribution, especially when the number of points to be clustered is small. This induces a distributional shift, which can also arise in many real-world settings, such as image segmentation, biological data analysis, and sensor networks, due to noise variations, sensor inaccuracies, or environmental changes. Distributional shifts can severely impact the performance of clustering algorithms, leading to degraded cluster assignments and unreliable downstream analysis. The field of clustering has a rich history. One of the most popular algorithms in this field is theK-means (KM) algorithm, introduced by [1], which computes centroids by iteratively updating the conditional mean of the data in the Voronoi regions induced by the centroids. However, standardK-means is sensitive to initialization and, in general, converges only to a local minimum.


Operator Learning for Smoothing and Forecasting

Calvello, Edoardo, Carlson, Elizabeth, Kovachki, Nikola, Manta, Michael N., Stuart, Andrew M.

arXiv.org Machine Learning

Machine learning has opened new frontiers in purely data-driven algorithms for data assimilation in, and for forecasting of, dynamical systems; the resulting methods are showing some promise. However, in contrast to model-driven algorithms, analysis of these data-driven methods is poorly developed. In this paper we address this issue, developing a theory to underpin data-driven methods to solve smoothing problems arising in data assimilation and forecasting problems. The theoretical framework relies on two key components: (i) establishing the existence of the mapping to be learned; (ii) the properties of the operator learning architecture used to approximate this mapping. By studying these two components in conjunction, we establish novel universal approximation theorems for purely data driven algorithms for both smoothing and forecasting of dynamical systems. We work in the continuous time setting, hence deploying neural operator architectures. The theoretical results are illustrated with experiments studying the Lorenz `63, Lorenz `96 and Kuramoto-Sivashinsky dynamical systems.


Precise Performance of Linear Denoisers in the Proportional Regime

Ghane, Reza, Akhtiamov, Danil, Hassibi, Babak

arXiv.org Machine Learning

In the present paper we study the performance of linear denoisers for noisy data of the form $\mathbf{x} + \mathbf{z}$, where $\mathbf{x} \in \mathbb{R}^d$ is the desired data with zero mean and unknown covariance $\mathbfΣ$, and $\mathbf{z} \sim \mathcal{N}(0, \mathbfΣ_{\mathbf{z}})$ is additive noise. Since the covariance $\mathbfΣ$ is not known, the standard Wiener filter cannot be employed for denoising. Instead we assume we are given samples $\mathbf{x}_1,\dots,\mathbf{x}_n \in \mathbb{R}^d$ from the true distribution. A standard approach would then be to estimate $\mathbfΣ$ from the samples and use it to construct an ``empirical" Wiener filter. However, in this paper, motivated by the denoising step in diffusion models, we take a different approach whereby we train a linear denoiser $\mathbf{W}$ from the data itself. In particular, we synthetically construct noisy samples $\hat{\mathbf{x}}_i$ of the data by injecting the samples with Gaussian noise with covariance $\mathbfΣ_1 \neq \mathbfΣ_{\mathbf{z}}$ and find the best $\mathbf{W}$ that approximates $\mathbf{W}\hat{\mathbf{x}}_i \approx \mathbf{x}_i$ in a least-squares sense. In the proportional regime $\frac{n}{d} \rightarrow κ> 1$ we use the {\it Convex Gaussian Min-Max Theorem (CGMT)} to analytically find the closed form expression for the generalization error of the denoiser obtained from this process. Using this expression one can optimize over $\mathbfΣ_1$ to find the best possible denoiser. Our numerical simulations show that our denoiser outperforms the ``empirical" Wiener filter in many scenarios and approaches the optimal Wiener filter as $κ\rightarrow\infty$.






Understanding Model Selection for Learning in Strategic Environments

Neural Information Processing Systems

The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the model class one optimizes over--and the more data one has access to--the more one can improve performance. As models get deployed in a variety of real-world scenarios, they inevitably face strategic environments.


Kernel Quadrature with Randomly Pivoted Cholesky Ethan N. Epperly and Elvira Moreno

Neural Information Processing Systems

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous kernel quadrature methods, which either achieve low accuracy or require solving a computationally challenging sampling problem.