arXiv subjects

Harald Oberhauser

Publications and source records attributed to Harald Oberhauser.

At least 19 recordsLinked to original sources

arXiv2026

The Singular Values of L\'evy's Area Matrix

The matrix of L\'evy's areas of $d$-dimensional Brownian motion is a fundamental object in stochastic analysis. In this article, we study the singular values of this $d \times d$ skew-symmetric random matrix. First, we derive an explicit formula for the density of the singular values and, en passant, present a new short proof of the characteristic function of L\'evy's area when $d \ge 3$. This also allows us to extend the well-known formula for the density of L\'evy's area to $d \ge 3$. Next, we use these results to characterise the singular spectrum as a determinantal point process with its kernel in explicit form. Finally, we study the asymptotics as $d \to \infty$: the empirical measure of singular values converges to an absolute Cauchy distribution, the largest singular values are of order $d$ with Gaussian fluctuations, the smallest singular values are of order $1/d$, and the local bulk spacings are of order $1/d$, with sine-kernel statistics after rescaling.

math.PR↗

arXiv2026

Orthogonal polynomials on path-space

We consider the orthogonalisation of the signature of a stochastic process as the analogue of orthogonal polynomials on path-space. Under an infinite radius of convergence assumption, we prove density of linear functions on the signature in $L^p$ functions on grouplike elements, making it possible to represent a square-integrable function on (rough) paths as an $L^2$-convergent series. By viewing the shuffle algebra as commutative polynomials on the free Lie algebra, we revisit much of the theory of classical orthogonal polynomials in several variables, such as the recurrence relation and Favard's theorem. Finally, we restrict our attention to the case of Brownian motion with and without drift, and prove that dimension-independent orthogonal signature exists with drift but not without. We end with numerical examples of how orthogonal signature polynomials of Brownian motion can be applied for the approximation of functions on paths sampled from the Wiener measure.

math.PR↗

arXiv2025

A User's Guide to $\texttt{KSig}$: GPU-Accelerated Computation of the Signature Kernel

The signature kernel is a positive definite kernel for sequential and temporal data that has become increasingly popular in machine learning applications due to powerful theoretical guarantees, strong empirical performance, and recently introduced various scalable variations. In this chapter, we give a short introduction to $\texttt{KSig}$, a $\texttt{Scikit-Learn}$ compatible Python package that implements various GPU-accelerated algorithms for computing signature kernels, and performing downstream learning tasks. We also introduce a new algorithm based on tensor sketches which gives strong performance compared to existing algorithms. The package is available at https://github.com/tgcsaba/ksig.

stat.ML↗

arXiv2024

Learning to Forget: Bayesian Time Series Forecasting using Recurrent Sparse Spectrum Signature Gaussian Processes

The signature kernel is a kernel between time series of arbitrary length and comes with strong theoretical guarantees from stochastic analysis. It has found applications in machine learning such as covariance functions for Gaussian processes. A strength of the underlying signature features is that they provide a structured global description of a time series. However, this property can quickly become a curse when local information is essential and forgetting is required; so far this has only been addressed with ad-hoc methods such as slicing the time series into subsegments. To overcome this, we propose a principled, data-driven approach by introducing a novel forgetting mechanism for signatures. This allows the model to dynamically adapt its context length to focus on more recent information. To achieve this, we revisit the recently introduced Random Fourier Signature Features, and develop Random Fourier Decayed Signature Features (RFDSF) with Gaussian processes (GPs). This results in a Bayesian time series forecasting algorithm with variational inference, that offers a scalable probabilistic algorithm that processes and transforms a time series into a joint predictive distribution over time steps in one pass using recurrence. For example, processing a sequence of length $10^4$ steps in $\approx 10^{-2}$ seconds and in $< 1\text{GB}$ of GPU memory. We demonstrate that it outperforms other GP-based alternatives and competes with state-of-the-art probabilistic time series forecasting algorithms.

stat.ML↗

arXiv2024

Random Fourier Signature Features

Tensor algebras give rise to one of the most powerful measures of similarity for sequences of arbitrary length called the signature kernel accompanied with attractive theoretical guarantees from stochastic analysis. Previous algorithms to compute the signature kernel scale quadratically in terms of the length and the number of the sequences. To mitigate this severe computational bottleneck, we develop a random Fourier feature-based acceleration of the signature kernel acting on the inherently non-Euclidean domain of sequences. We show uniform approximation guarantees for the proposed unbiased estimator of the signature kernel, while keeping its computation linear in the sequence length and number. In addition, combined with recent advances on tensor projections, we derive two even more scalable time series features with favourable concentration properties and computational complexity both in time and memory. Our empirical results show that the reduction in computational cost comes at a negligible price in terms of accuracy on moderate-sized datasets, and it enables one to scale to large datasets up to a million time series.

stat.ML↗

arXiv2024

A Quadrature Approach for General-Purpose Batch Bayesian Optimization via Probabilistic Lifting

Parallelisation in Bayesian optimisation is a common strategy but faces several challenges: the need for flexibility in acquisition functions and kernel choices, flexibility dealing with discrete and continuous variables simultaneously, model misspecification, and lastly fast massive parallelisation. To address these challenges, we introduce a versatile and modular framework for batch Bayesian optimisation via probabilistic lifting with kernel quadrature, called SOBER, which we present as a Python library based on GPyTorch/BoTorch. Our framework offers the following unique benefits: (1) Versatility in downstream tasks under a unified approach. (2) A gradient-free sampler, which does not require the gradient of acquisition functions, offering domain-agnostic sampling (e.g., discrete and mixed variables, non-Euclidean space). (3) Flexibility in domain prior distribution. (4) Adaptive batch size (autonomous determination of the optimal batch size). (5) Robustness against a misspecified reproducing kernel Hilbert space. (6) Natural stopping criterion.

cs.LG↗

arXiv2024

Adaptive Batch Sizes for Active Learning A Probabilistic Numerics Approach

Active learning parallelization is widely used, but typically relies on fixing the batch size throughout experimentation. This fixed approach is inefficient because of a dynamic trade-off between cost and speed -- larger batches are more costly, smaller batches lead to slower wall-clock run-times -- and the trade-off may change over the run (larger batches are often preferable earlier). To address this trade-off, we propose a novel Probabilistic Numerics framework that adaptively changes batch sizes. By framing batch selection as a quadrature task, our integration-error-aware algorithm facilitates the automatic tuning of batch sizes to meet predefined quadrature precision objectives, akin to how typical optimizers terminate based on convergence thresholds. This approach obviates the necessity for exhaustive searches across all potential batch sizes. We also extend this to scenarios with constrained active learning and constrained optimization, interpreting constraint violations as reductions in the precision requirement, to subsequently adapt batch construction. Through extensive experiments, we demonstrate that our approach significantly enhances learning efficiency and flexibility in diverse Bayesian batch active learning and Bayesian optimization applications.

cs.LG↗

arXiv2023

Random Surfaces and Higher Algebra

We introduce a characteristic function for laws of random surfaces $\mathbf{X}: [0,s] \times [0,t] \to \mathbb{R}^d$, in the spirit of expected path developments for one-dimensional stochastic processes into matrix groups. A key property is that path development is structure preserving: path concatenation becomes matrix multiplication. The main challenge is to account for two distinct concatenation operations for surfaces: horizontal and vertical. To address this, we use the notion of surface holonomy from higher geometry to define surface developments, and study this in a stochastic context. We generalize surface developments to the Young setting of $\rho$-H\"older surfaces, where $\rho > \frac12$, show that such developments characterize parametrized surfaces. Our main result shows that the resulting expected surface development provides a computable and structured description of laws of random surfaces and leads to a natural metric on the space of probability measures on surfaces.

math.PR↗

arXiv2023

HADES: Fast Singularity Detection with Local Measure Comparison

We introduce Hades, an unsupervised algorithm to detect singularities in data. This algorithm employs a kernel goodness-of-fit test, and as a consequence it is much faster and far more scaleable than the existing topology-based alternatives. Using tools from differential geometry and optimal transport theory, we prove that Hades correctly detects singularities with high probability when the data sample lives on a transverse intersection of equidimensional manifolds. In computational experiments, Hades recovers singularities in synthetically generated data, branching points in road network data, intersection rings in molecular conformation space, and anomalies in image data.

cs.LG↗

arXiv2023

Kernelized Cumulants: Beyond Kernel Mean Embeddings

In $\mathbb R^d$, it is well-known that cumulants provide an alternative to moments that can achieve the same goals with numerous benefits such as lower variance estimators. In this paper we extend cumulants to reproducing kernel Hilbert spaces (RKHS) using tools from tensor algebras and show that they are computationally tractable by a kernel trick. These kernelized cumulants provide a new set of all-purpose statistics; the classical maximum mean discrepancy and Hilbert-Schmidt independence criterion arise as the degree one objects in our general construction. We argue both theoretically and empirically (on synthetic, environmental, and traffic data analysis) that going beyond degree one has several advantages and can be achieved with the same computational complexity and minimal overhead in our experiments.

stat.ML↗

arXiv2023

Tangent Space and Dimension Estimation with the Wasserstein Distance

Consider a set of points sampled independently near a smooth compact submanifold of Euclidean space. We provide mathematically rigorous bounds on the number of sample points required to estimate both the dimension and the tangent spaces of that manifold with high confidence. The algorithm for this estimation is Local PCA, a local version of principal component analysis. Our results accommodate for noisy non-uniform data distribution with the noise that may vary across the manifold, and allow simultaneous estimation at multiple points. Crucially, all of the constants appearing in our bound are explicitly described. The proof uses a matrix concentration inequality to estimate covariance matrices and a Wasserstein distance bound for quantifying nonlinearity of the underlying manifold and non-uniformity of the probability measure.

math.ST↗

arXiv2023

SOBER: Highly Parallel Bayesian Optimization and Bayesian Quadrature over Discrete and Mixed Spaces

Batch Bayesian optimisation and Bayesian quadrature have been shown to be sample-efficient methods of performing optimisation and quadrature where expensive-to-evaluate objective functions can be queried in parallel. However, current methods do not scale to large batch sizes -- a frequent desideratum in practice (e.g. drug discovery or simulation-based inference). We present a novel algorithm, SOBER, which permits scalable and diversified batch global optimisation and quadrature with arbitrary acquisition functions and kernels over discrete and mixed spaces. The key to our approach is to reformulate batch selection for global optimisation as a quadrature problem, which relaxes acquisition function maximisation (non-convex) to kernel recombination (convex). Bridging global optimisation and quadrature can efficiently solve both tasks by balancing the merits of exploitative Bayesian optimisation and explorative Bayesian quadrature. We show that SOBER outperforms 11 competitive baselines on 12 synthetic and diverse real-world tasks.

cs.LG↗

arXiv2023

Sampling-based Nyström Approximation and Kernel Quadrature

We analyze the Nyström approximation of a positive definite kernel associated with a probability measure. We first prove an improved error bound for the conventional Nyström approximation with i.i.d. sampling and singular-value decomposition in the continuous regime; the proof techniques are borrowed from statistical learning theory. We further introduce a refined selection of subspaces in Nyström approximation with theoretical guarantees that is applicable to non-i.i.d. landmark points. Finally, we discuss their application to convex kernel quadrature and give novel theoretical guarantees as well as numerical observations.

math.NA↗

arXiv2023

The Signature Kernel

The signature kernel is a positive definite kernel for sequential data. It inherits theoretical guarantees from stochastic analysis, has efficient algorithms for computation, and shows strong empirical performance. In this short survey paper for a forthcoming Springer handbook, we give an elementary introduction to the signature kernel and highlight these theoretical and computational properties.

math.PR↗

arXiv2023

Fast Bayesian Inference with Batch Bayesian Quadrature via Kernel Recombination

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate. Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence. Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size. Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.

cs.LG↗

arXiv2023

Nonlinear Independent Component Analysis for Discrete-Time and Continuous-Time Signals

We study the classical problem of recovering a multidimensional source signal from observations of nonlinear mixtures of this signal. We show that this recovery is possible (up to a permutation and monotone scaling of the source's original component signals) if the mixture is due to a sufficiently differentiable and invertible but otherwise arbitrarily nonlinear function and the component signals of the source are statistically independent with 'non-degenerate' second-order statistics. The latter assumption requires the source signal to meet one of three regularity conditions which essentially ensure that the source is sufficiently far away from the non-recoverable extremes of being deterministic or constant in time. These assumptions, which cover many popular time series models and stochastic processes, allow us to reformulate the initial problem of nonlinear blind source separation as a simple-to-state problem of optimisation-based function approximation. We propose to solve this approximation problem by minimizing a novel type of objective function that efficiently quantifies the mutual statistical dependence between multiple stochastic processes via cumulant-like statistics. This yields a scalable and direct new method for nonlinear Independent Component Analysis with widely applicable theoretical guarantees and for which our experiments indicate good performance.

stat.ML↗

arXiv2023

Grid-Free Computation of Probabilistic Safety with Malliavin Calculus

This work concerns continuous-time, continuous-space stochastic dynamical systems described by stochastic differential equations (SDE). It presents a new approach to compute probabilistic safety regions, namely sets of initial conditions of the SDE associated to trajectories that are safe with a probability larger than a given threshold. The approach introduces a functional that is minimised at the border of the probabilistic safety region, then solves an optimisation problem using techniques from Malliavin Calculus, which computes such region. Unlike existing results in the literature, the new approach allows one to compute probabilistic safety regions without gridding the state space of the SDE.

math.PR↗

arXiv2022

Positively Weighted Kernel Quadrature via Subsampling

We study kernel quadrature rules with convex weights. Our approach combines the spectral properties of the kernel with recombination results about point measures. This results in effective algorithms that construct convex quadrature rules using only access to i.i.d. samples from the underlying measure and evaluation of the kernel and that result in a small worst-case error. In addition to our theoretical results and the benefits resulting from convex weights, our experiments indicate that this construction can compete with the optimal bounds in well-known examples.

math.NA↗