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PRIM-cipal components analysis

Liu, Tianhao, Díaz-Pachón, Daniel Andrés, Rao, J. Sunil

arXiv.org Machine Learning

EVEN supervised learning is subject to the famous NoFree Lunch Theorems [1]-[3], which say that, in combinatorial optimization, there is no universal algorithm that works better than its competitors for every objective function [4]-[6]. Indeed, David Wolpert has recently proven that, on average, cross-validation performs as well as anti-crossvalidation (choosing among a set of candidate algorithms based on which has the worst out-of-sample behavior) for supervised learning. Still, he acknowledges that "it is hard to imagine any scientist who would not prefer to use [crossvalidation] to using anti-cross-validation" [7]. On the other hand, unsupervised learning has seldom been studied from the perspective of the NFLTs. This may be because the adjective "unsupervised" suggests that no human input is needed, which is misleading as many unsupervised tasks are combinatorial optimization problems that depend on the choice of the objective function. For instance, it is well known that, among the eigenvectors of the covariance matrix, Principal Components Analysis selects those with the largest variances [8]. However, mode-hunting techniques that rely on spectral manipulation aim at the opposite objective: selecting the eigenvectors of the covariance matrix with the smallest variances [9], [10]. Therefore, unlike in supervised learning, where it is difficult to identify reasons to optimize with respect to anti-cross-validation, in unsupervised learning there are strong reasons to reduce dimensionality for variance minimization. D. A. D ıaz-Pach on and T. Liu are with the Division of Biostatistics, University of Miami, Miami, FL, 33136 USA (e-mail: ddiaz3@miami.edu,


Score Shocks: The Burgers Equation Structure of Diffusion Generative Models

Sarkar, Krisanu

arXiv.org Machine Learning

We analyze the score field of a diffusion generative model through a Burgers-type evolution law. For VE diffusion, the heat-evolved data density implies that the score obeys viscous Burgers in one dimension and the corresponding irrotational vector Burgers system in $\R^d$, giving a PDE view of \emph{speciation transitions} as the sharpening of inter-mode interfaces. For any binary decomposition of the noised density into two positive heat solutions, the score separates into a smooth background and a universal $\tanh$ interfacial term determined by the component log-ratio; near a regular binary mode boundary this yields a normal criterion for speciation. In symmetric binary Gaussian mixtures, the criterion recovers the critical diffusion time detected by the midpoint derivative of the score and agrees with the spectral criterion of Biroli, Bonnaire, de~Bortoli, and Mézard (2024). After subtracting the background drift, the inter-mode layer has a local Burgers $\tanh$ profile, which becomes global in the symmetric Gaussian case with width $σ_τ^2/a$. We also quantify exponential amplification of score errors across this layer, show that Burgers dynamics preserves irrotationality, and use a change of variables to reduce the VP-SDE to the VE case, yielding a closed-form VP speciation time. Gaussian-mixture formulas are verified to machine precision, and the local theorem is checked numerically on a quartic double-well.