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Adaptive Kernel Selection for Kernelized Diffusion Maps

Aboussaad, Othmane, Miraoui, Adam, Hamzi, Boumediene, Owhadi, Houman

arXiv.org Machine Learning

Selecting an appropriate kernel is a central challenge in kernel-based spectral methods. In \emph{Kernelized Diffusion Maps} (KDM), the kernel determines the accuracy of the RKHS estimator of a diffusion-type operator and hence the quality and stability of the recovered eigenfunctions. We introduce two complementary approaches to adaptive kernel selection for KDM. First, we develop a variational outer loop that learns continuous kernel parameters, including bandwidths and mixture weights, by differentiating through the Cholesky-reduced KDM eigenproblem with an objective combining eigenvalue maximization, subspace orthonormality, and RKHS regularization. Second, we propose an unsupervised cross-validation pipeline that selects kernel families and bandwidths using an eigenvalue-sum criterion together with random Fourier features for scalability. Both methods share a common theoretical foundation: we prove Lipschitz dependence of KDM operators on kernel weights, continuity of spectral projectors under a gap condition, a residual-control theorem certifying proximity to the target eigenspace, and exponential consistency of the cross-validation selector over a finite kernel dictionary.


Universality of Gaussian-Mixture Reverse Kernels in Conditional Diffusion

Ishtiaque, Nafiz, Haque, Syed Arefinul, Alam, Kazi Ashraful, Jahara, Fatima

arXiv.org Machine Learning

We prove that conditional diffusion models whose reverse kernels are finite Gaussian mixtures with ReLU-network logits can approximate suitably regular target distributions arbitrarily well in context-averaged conditional KL divergence, up to an irreducible terminal mismatch that typically vanishes with increasing diffusion horizon. A path-space decomposition reduces the output error to this mismatch plus per-step reverse-kernel errors; assuming each reverse kernel factors through a finite-dimensional feature map, each step becomes a static conditional density approximation problem, solved by composing Norets' Gaussian-mixture theory with quantitative ReLU bounds. Under exact terminal matching the resulting neural reverse-kernel class is dense in conditional KL.


Avoiding Non-Integrable Beliefs in Expectation Propagation

Zhao, Zilu, Chen, Jichao, Slock, Dirk

arXiv.org Machine Learning

Expectation Propagation (EP) is a widely used iterative message-passing algorithm that decomposes a global inference problem into multiple local ones. It approximates marginal distributions as ``beliefs'' using intermediate functions called ``messages''. It has been shown that the stationary points of EP are the same as corresponding constrained Bethe Free Energy (BFE) optimization problem. Therefore, EP is an iterative method of optimizing the constrained BFE. However, the iterative method may fall out of the feasible set of the BFE optimization problem, i.e., the beliefs are not integrable. In most literature, the authors use various methods to keep all the messages integrable. In most Bayesian estimation problems, limiting the messages to be integrable shrinks the actual feasible set. Furthermore, in extreme cases where the factors are not integrable, making the message itself integrable is not enough to have integrable beliefs. In this paper, two EP frameworks are proposed to ensure that EP has integrable beliefs. Both of the methods allows non-integrable messages. We then investigate the signal recovery problem in Generalized Linear Model (GLM) using our proposed methods.


Stepwise Variational Inference with Vine Copulas

Griesbauer, Elisabeth, Rønneberg, Leiv, Frigessi, Arnoldo, Czado, Claudia, Haff, Ingrid Hobæk

arXiv.org Machine Learning

We propose stepwise variational inference (VI) with vine copulas: a universal VI procedure that combines vine copulas with a novel stepwise estimation procedure of the variational parameters. Vine copulas consist of a nested sequence of trees built from copulas, where more complex latent dependence can be modeled with increasing number of trees. We propose to estimate the vine copula approximate posterior in a stepwise fashion, tree by tree along the vine structure. Further, we show that the usual backward Kullback-Leibler divergence cannot recover the correct parameters in the vine copula model, thus the evidence lower bound is defined based on the Rényi divergence. Finally, an intuitive stopping criterion for adding further trees to the vine eliminates the need to pre-define a complexity parameter of the variational distribution, as required for most other approaches. Thus, our method interpolates between mean-field VI (MFVI) and full latent dependence. In many applications, in particular sparse Gaussian processes, our method is parsimonious with parameters, while outperforming MFVI.


Generative Diffusion Model for Risk-Neutral Derivative Pricing

Tiwari, Nilay

arXiv.org Machine Learning

Denoising diffusion probabilistic models (DDPMs) have emerged as powerful generative models for complex distributions, yet their use in arbitrage-free derivative pricing remains largely unexplored. Financial asset prices are naturally modeled by stochastic differential equations (SDEs), whose forward and reverse density evolution closely parallels the forward noising and reverse denoising structure of diffusion models. In this paper, we develop a framework for using DDPMs to generate risk-neutral asset price dynamics for derivative valuation. Starting from log-return dynamics under the physical measure, we analyze the associated forward diffusion and derive the reverse-time SDE. We show that the change of measure from the physical to the risk-neutral measure induces an additive shift in the score function, which translates into a closed-form risk-neutral epsilon shift in the DDPM reverse dynamics. This correction enforces the risk-neutral drift while preserving the learned variance and higher-order structure, yielding an explicit bridge between diffusion-based generative modeling and classical risk-neutral SDE-based pricing. We show that the resulting discounted price paths satisfy the martingale condition under the risk-neutral measure. Empirically, the method reproduces the risk-neutral terminal distribution and accurately prices both European and path-dependent derivatives, including arithmetic Asian options, under a GBM benchmark. These results demonstrate that diffusion-based generative models provide a flexible and principled approach to simulation-based derivative pricing.


High-Dimensional Gaussian Mean Estimation under Realizable Contamination

Diakonikolas, Ilias, Kane, Daniel M., Pittas, Thanasis

arXiv.org Machine Learning

We study mean estimation for a Gaussian distribution with identity covariance in $\mathbb{R}^d$ under a missing data scheme termed realizable $ε$-contamination model. In this model an adversary can choose a function $r(x)$ between 0 and $ε$ and each sample $x$ goes missing with probability $r(x)$. Recent work Ma et al., 2024 proposed this model as an intermediate-strength setting between Missing Completely At Random (MCAR) -- where missingness is independent of the data -- and Missing Not At Random (MNAR) -- where missingness may depend arbitrarily on the sample values and can lead to non-identifiability issues. That work established information-theoretic upper and lower bounds for mean estimation in the realizable contamination model. Their proposed estimators incur runtime exponential in the dimension, leaving open the possibility of computationally efficient algorithms in high dimensions. In this work, we establish an information-computation gap in the Statistical Query model (and, as a corollary, for Low-Degree Polynomials and PTF tests), showing that algorithms must either use substantially more samples than information-theoretically necessary or incur exponential runtime. We complement our SQ lower bound with an algorithm whose sample-time tradeoff nearly matches our lower bound. Together, these results qualitatively characterize the complexity of Gaussian mean estimation under $ε$-realizable contamination.


Learning Mixture of Gaussians with Streaming Data

Neural Information Processing Systems

In this paper, we study the problem of learning a mixture of Gaussians with streaming data: given a stream of $N$ points in $d$ dimensions generated by an unknown mixture of $k$ spherical Gaussians, the goal is to estimate the model parameters using a single pass over the data stream. We analyze a streaming version of the popular Lloyd's heuristic and show that the algorithm estimates all the unknown centers of the component Gaussians accurately if they are sufficiently separated. Assuming each pair of centers are $C\sigma$ distant with $C=\Omega((k\log k)^{1/4}\sigma)$ and where $\sigma^2$ is the maximum variance of any Gaussian component, we show that asymptotically the algorithm estimates the centers optimally (up to certain constants); our center separation requirement matches the best known result for spherical Gaussians \citep{vempalawang}. For finite samples, we show that a bias term based on the initial estimate decreases at $O(1/{\rm poly}(N))$ rate while variance decreases at nearly optimal rate of $\sigma^2 d/N$. Our analysis requires seeding the algorithm with a good initial estimate of the true cluster centers for which we provide an online PCA based clustering algorithm. Indeed, the asymptotic per-step time complexity of our algorithm is the optimal $d\cdot k$ while space complexity of our algorithm is $O(dk\log k)$. In addition to the bias and variance terms which tend to $0$, the hard-thresholding based updates of streaming Lloyd's algorithm is agnostic to the data distribution and hence incurs an \emph{approximation error} that cannot be avoided. However, by using a streaming version of the classical \emph{(soft-thresholding-based)} EM method that exploits the Gaussian distribution explicitly, we show that for a mixture of two Gaussians the true means can be estimated consistently, with estimation error decreasing at nearly optimal rate, and tending to $0$ for $N\rightarrow \infty$.


Power-Law Spectrum of the Random Feature Model

Paquette, Elliot, Xiao, Ke Liang, Zhu, Yizhe

arXiv.org Machine Learning

Scaling laws for neural networks, in which the loss decays as a power-law in the number of parameters, data, and compute, depend fundamentally on the spectral structure of the data covariance, with power-law eigenvalue decay appearing ubiquitously in vision and language tasks. A central question is whether this spectral structure is preserved or destroyed when data passes through the basic building block of a neural network: a random linear projection followed by a nonlinear activation. We study this question for the random feature model: given data $x \sim N(0,H)\in \mathbb{R}^v$ where $H$ has $α$-power-law spectrum ($λ_j(H ) \asymp j^{-α}$, $α> 1$), a Gaussian sketch matrix $W \in \mathbb{R}^{v\times d}$, and an entrywise monomial $f(y) = y^{p}$, we characterize the eigenvalues of the population random-feature covariance $\mathbb{E}_{x }[\frac{1}{d}f(W^\top x )^{\otimes 2}]$. We prove matching upper and lower bounds: for all $1 \leq j \leq c_1 d \log^{-(p+1)}(d)$, the $j$-th eigenvalue is of order $\left(\log^{p-1}(j+1)/j\right)^α$. For $ c_1 d \log^{-(p+1)}(d)\leq j\leq d$, the $j$-th eigenvalue is of order $j^{-α}$ up to a polylog factor. That is, the power-law exponent $α$ is inherited exactly from the input covariance, modified only by a logarithmic correction that depends on the monomial degree $p$. The proof combines a dyadic head-tail decomposition with Wick chaos expansions for higher-order monomials and random matrix concentration inequalities.