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Lipschitz bounds for integral kernels
Reverdi, Justin, Zhang, Sixin, Gamboa, Fabrice, Gratton, Serge
Feature maps associated with positive definite kernels play a central role in kernel methods and learning theory, where regularity properties such as Lipschitz continuity are closely related to robustness and stability guarantees. Despite their importance, explicit characterizations of the Lipschitz constant of kernel feature maps are available only in a limited number of cases. In this paper, we study the Lipschitz regularity of feature maps associated with integral kernels under differentiability assumptions. We first provide sufficient conditions ensuring Lipschitz continuity and derive explicit formulas for the corresponding Lipschitz constants. We then identify a condition under which the feature map fails to be Lipschitz continuous and apply these results to several important classes of kernels. For infinite width two-layer neural network with isotropic Gaussian weight distributions, we show that the Lipschitz constant of the associated kernel can be expressed as the supremum of a two-dimensional integral, leading to an explicit characterization for the Gaussian kernel and the ReLU random neural network kernel. We also study continuous and shift-invariant kernels such as Gaussian, Laplace, and Matérn kernels, which admit an interpretation as neural network with cosine activation function. In this setting, we prove that the feature map is Lipschitz continuous if and only if the weight distribution has a finite second-order moment, and we then derive its Lipschitz constant. Finally, we raise an open question concerning the asymptotic behavior of the convergence of the Lipschitz constant in finite width neural networks. Numerical experiments are provided to support this behavior.
Generating DDPM-based Samples from Tilted Distributions
Mandal, Himadri, Gupta, Dhruman, Gupta, Rushil, Iyer, Sarvesh Ravichandran, Bandyopadhyay, Agniv, Bassamboo, Achal, Gupta, Varun, Juneja, Sandeep
Given $n$ independent samples from a $d$-dimensional probability distribution, our aim is to generate diffusion-based samples from a distribution obtained by tilting the original, where the degree of tilt is parametrized by $θ\in \mathbb{R}^d$. We define a plug-in estimator and show that it is minimax-optimal. We develop Wasserstein bounds between the distribution of the plug-in estimator and the true distribution as a function of $n$ and $θ$, illustrating regimes where the output and the desired true distribution are close. Further, under some assumptions, we prove the TV-accuracy of running Diffusion on these tilted samples. Our theoretical results are supported by extensive simulations. Applications of our work include finance, weather and climate modelling, and many other domains, where the aim may be to generate samples from a tilted distribution that satisfies practically motivated moment constraints.
Escape dynamics and implicit bias of one-pass SGD in overparameterized quadratic networks
Bocchi, Dario, Regimbeau, Theotime, Lucibello, Carlo, Saglietti, Luca, Cammarota, Chiara
We analyze the one-pass stochastic gradient descent dynamics of a two-layer neural network with quadratic activations in a teacher--student framework. In the high-dimensional regime, where the input dimension $N$ and the number of samples $M$ diverge at fixed ratio $α= M/N$, and for finite hidden widths $(p,p^*)$ of the student and teacher, respectively, we study the low-dimensional ordinary differential equations that govern the evolution of the student--teacher and student--student overlap matrices. We show that overparameterization ($p>p^*$) only modestly accelerates escape from a plateau of poor generalization by modifying the prefactor of the exponential decay of the loss. We then examine how unconstrained weight norms introduce a continuous rotational symmetry that results in a nontrivial manifold of zero-loss solutions for $p>1$. From this manifold the dynamics consistently selects the closest solution to the random initialization, as enforced by a conserved quantity in the ODEs governing the evolution of the overlaps. Finally, a Hessian analysis of the population-loss landscape confirms that the plateau and the solution manifold correspond to saddles with at least one negative eigenvalue and to marginal minima in the population-loss geometry, respectively.
Inversion-Free Natural Gradient Descent on Riemannian Manifolds
Draca, Dario, Matsubara, Takuo, Tran, Minh-Ngoc
The natural gradient method is widely used in statistical optimization, but its standard formulation assumes a Euclidean parameter space. This paper proposes an inversion-free stochastic natural gradient method for probability distributions whose parameters lie on a Riemannian manifold. The manifold setting offers several advantages: one can implicitly enforce parameter constraints such as positive definiteness and orthogonality, ensure parameters are identifiable, or guarantee regularity properties of the objective like geodesic convexity. Building on an intrinsic formulation of the Fisher information matrix (FIM) on a manifold, our method maintains an online approximation of the inverse FIM, which is efficiently updated at quadratic cost using score vectors sampled at successive iterates. In the Riemannian setting, these score vectors belong to different tangent spaces and must be combined using transport operations. We prove almost-sure convergence rates of $O(\log{s}/s^α)$ for the squared distance to the minimizer when the step size exponent $α>2/3$. We also establish almost-sure rates for the approximate FIM, which now accumulates transport-based errors. A limited-memory variant of the algorithm with sub-quadratic storage complexity is proposed. Finally, we demonstrate the effectiveness of our method relative to its Euclidean counterparts on variational Bayes with Gaussian approximations and normalizing flows.
How worried should you be about an AI apocalypse?
How worried should you be about an AI apocalypse? Fears that artificial intelligence could rise up to wipe out humanity are understandable given our steady diet of sci-fi stories depicting just that, but what is the real risk? Isaac Asimov's three laws of robotics are not a practical guide Super-intelligent artificial intelligence rising up and wiping out humanity has been a common trope in science fiction for decades. Now, we live in a world where real AI seems to be advancing faster than ever. Does that mean you should start worrying about an AI apocalypse?
Operator Learning for Smoothing and Forecasting
Calvello, Edoardo, Carlson, Elizabeth, Kovachki, Nikola, Manta, Michael N., Stuart, Andrew M.
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.
Machine Learning for Network Attacks Classification and Statistical Evaluation of Adversarial Learning Methodologies for Synthetic Data Generation
Zarkadis, Iakovos-Christos, Douligeris, Christos
Supervised detection of network attacks has always been a critical part of network intrusion detection systems (NIDS). Nowadays, in a pivotal time for artificial intelligence (AI), with even more sophisticated attacks that utilize advanced techniques, such as generative artificial intelligence (GenAI) and reinforcement learning, it has become a vital component if we wish to protect our personal data, which are scattered across the web. In this paper, we address two tasks, in the first unified multi-modal NIDS dataset, which incorporates flow-level data, packet payload information and temporal contextual features, from the reprocessed CIC-IDS-2017, CIC-IoT-2023, UNSW-NB15 and CIC-DDoS-2019, with the same feature space. In the first task we use machine learning (ML) algorithms, with stratified cross validation, in order to prevent network attacks, with stability and reliability. In the second task we use adversarial learning algorithms to generate synthetic data, compare them with the real ones and evaluate their fidelity, utility and privacy using the SDV framework, f-divergences, distinguishability and non-parametric statistical tests. The findings provide stable ML models for intrusion detection and generative models with high fidelity and utility, by combining the Synthetic Data Vault framework, the TRTS and TSTR tests, with non-parametric statistical tests and f-divergence measures.
Homogenized Transformers
Koubbi, Hugo, Geshkovski, Borjan, Rigollet, Philippe
We study a random model of deep multi-head self-attention in which the weights are resampled independently across layers and heads, as at initialization of training. Viewing depth as a time variable, the residual stream defines a discrete-time interacting particle system on the unit sphere. We prove that, under suitable joint scalings of the depth, the residual step size, and the number of heads, this dynamics admits a nontrivial homogenized limit. Depending on the scaling, the limit is either deterministic or stochastic with common noise; in the mean-field regime, the latter leads to a stochastic nonlinear Fokker--Planck equation for the conditional law of a representative token. In the Gaussian setting, the limiting drift vanishes, making the homogenized dynamics explicit enough to study representation collapse. This yields quantitative trade-offs between dimension, context length, and temperature, and identifies regimes in which clustering can be mitigated.
Smoothing the Landscape: Causal Structure Learning via Diffusion Denoising Objectives
Zhu, Hao, Zhou, Di, Slonim, Donna
Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and DAG-GNN, often face issues with scalability and stability in high-dimensional data, especially when there is a feature-sample imbalance. Here, we show that the denoising score matching objective of diffusion models could smooth the gradients for faster, more stable convergence. We also propose an adaptive k-hop acyclicity constraint that improves runtime over existing solutions that require matrix inversion. We name this framework Denoising Diffusion Causal Discovery (DDCD). Unlike generative diffusion models, DDCD utilizes the reverse denoising process to infer a parameterized causal structure rather than to generate data. We demonstrate the competitive performance of DDCDs on synthetic benchmarking data. We also show that our methods are practically useful by conducting qualitative analyses on two real-world examples. Code is available at this url: https://github.com/haozhu233/ddcd.
A Novel Theoretical Analysis for Clustering Heteroscedastic Gaussian Data without Knowledge of the Number of Clusters
Pastor, Dominique, Dupraz, Elsa, Hbilou, Ismail, Ansel, Guillaume
This paper addresses the problem of clustering measurement vectors that are heteroscedastic in that they can have different covariance matrices. From the assumption that the measurement vectors within a given cluster are Gaussian distributed with possibly different and unknown covariant matrices around the cluster centroid, we introduce a novel cost function to estimate the centroids. The zeros of the gradient of this cost function turn out to be the fixed-points of a certain function. As such, the approach generalizes the methodology employed to derive the existing Mean-Shift algorithm. But as a main and novel theoretical result compared to Mean-Shift, this paper shows that the sole fixed-points of the identified function tend to be the cluster centroids if both the number of measurements per cluster and the distances between centroids are large enough. As a second contribution, this paper introduces the Wald kernel for clustering. This kernel is defined as the p-value of the Wald hypothesis test for testing the mean of a Gaussian. As such, the Wald kernel measures the plausibility that a measurement vector belongs to a given cluster and it scales better with the dimension of the measurement vectors than the usual Gaussian kernel. Finally, the proposed theoretical framework allows us to derive a new clustering algorithm called CENTRE-X that works by estimating the fixed-points of the identified function. As Mean-Shift, CENTRE-X requires no prior knowledge of the number of clusters. It relies on a Wald hypothesis test to significantly reduce the number of fixed points to calculate compared to the Mean-Shift algorithm, thus resulting in a clear gain in complexity. Simulation results on synthetic and real data sets show that CENTRE-X has comparable or better performance than standard clustering algorithms K-means and Mean-Shift, even when the covariance matrices are not perfectly known.