Signature kernels have emerged as a powerful tool within kernel methods for sequential data. In the paper "The Signature Kernel is the solution of a Goursat PDE", the authors identify a kernel trick that demonstrates that, for continuously differentiable paths, the signature kernel satisfies a Goursat problem for a hyperbolic partial differential equation (PDE) in two independent time variables. While finite difference methods have been explored for this PDE, they face limitations in accuracy and stability when handling highly oscillatory inputs. In this work, we introduce two advanced numerical schemes that leverage polynomial representations of boundary conditions through either approximation or interpolation techniques, and rigorously establish the theoretical convergence of the polynomial approximation scheme. Experimental evaluations reveal that our approaches yield improvements of several orders of magnitude in mean absolute percentage error (MAPE) compared to traditional finite difference schemes, without increasing computational complexity. Furthermore, like finite difference methods, our algorithms can be GPU-parallelized to reduce computational complexity from quadratic to linear in the length of the input sequences, thereby improving scalability for high-frequency data. We have implemented these algorithms in a dedicated Python library, which is publicly available at: https://github.com/FrancescoPiatti/polysigkernel.

Recent studies on deep neural networks show that flat minima of the loss landscape correlate with improved generalization. Sharpness-aware minimization (SAM) efficiently finds flat regions by updating the parameters according to the gradient at an adversarial perturbation. The perturbation depends on the Euclidean metric, making SAM non-invariant under reparametrizations, which blurs sharpness and generalization. We propose Monge SAM (M-SAM), a reparametrization invariant version of SAM by considering a Riemannian metric in the parameter space induced naturally by the loss surface. Compared to previous approaches, M-SAM works under any modeling choice, relies only on mild assumptions while being as computationally efficient as SAM. We theoretically argue that M-SAM varies between SAM and gradient descent (GD), which increases robustness to hyperparameter selection and reduces attraction to suboptimal equilibria like saddle points. We demonstrate this behavior both theoretically and empirically on a multi-modal representation alignment task.

The multi-view Gaussian process latent variable model (MV-GPLVM) aims to learn a unified representation from multi-view data but is hindered by challenges such as limited kernel expressiveness and low computational efficiency. To overcome these issues, we first introduce a new duality between the spectral density and the kernel function. By modeling the spectral density with a bivariate Gaussian mixture, we then derive a generic and expressive kernel termed Next-Gen Spectral Mixture (NG-SM) for MV-GPLVMs. To address the inherent computational inefficiency of the NG-SM kernel, we propose a random Fourier feature approximation. Combined with a tailored reparameterization trick, this approximation enables scalable variational inference for both the model and the unified latent representations. Numerical evaluations across a diverse range of multi-view datasets demonstrate that our proposed method consistently outperforms state-of-the-art models in learning meaningful latent representations.

Summary and Contributions: The paper studies the behavior of SGD, Adam, and SGD with clipping on the stochastic optimization problems with heavy-tailed stochastic gradients. First of all, the authors empirically establish that Adam outperforms SGD on the problems with heavy-tailed stochastic gradients. Next, they derive the convergence guarantees for clipped SGD for smooth non-convex under the assumption of the uniformly bounded central moment of order \alpha \in (1,2] of the gradient and non-smooth (authors claim that f should be L-smooth in the statement of the theorem, but do not use it in the proof) strongly convex problems under the assumption of the uniformly bounded moment of order \alpha \in (1,2] of the gradient. Interestingly, in these cases, SGD can diverge, which fits the empirical evidence that methods with clipping (or its adaptive variants) work better than SGD in the presence of heavy-tailed noise. Furthermore, the paper proposes lower bounds for these cases implying the optimality of clipped SGD.

The move from hand-designed features to learned features in machine learning has been wildly successful. In spite of this, optimization algorithms are still designed by hand. In this paper we show how the design of an optimization algorithm can be cast as a learning problem, allowing the algorithm to learn to exploit structure in the problems of interest in an automatic way. Our learned algorithms, implemented by LSTMs, outperform generic, hand-designed competitors on the tasks for which they are trained, and also generalize well to new tasks with similar structure. We demonstrate this on a number of tasks, including simple convex problems, training neural networks, and styling images with neural art.

Functional brain networks are well described and estimated from data with Gaussian Graphical Models (GGMs), e.g.\ using sparse inverse covariance estimators. Comparing functional connectivity of subjects in two populations calls for comparing these estimated GGMs. Our goal is to identify differences in GGMs known to have similar structure. We characterize the uncertainty of differences with confidence intervals obtained using a parametric distribution on parameters of a sparse estimator. Sparse penalties enable statistical guarantees and interpretable models even in high-dimensional and low-sample settings. Characterizing the distributions of sparse models is inherently challenging as the penalties produce a biased estimator.

By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time.

Deep kernel learning combines the non-parametric flexibility of kernel methods with the inductive biases of deep learning architectures. We propose a novel deep kernel learning model and stochastic variational inference procedure which generalizes deep kernel learning approaches to enable classification, multi-task learning, additive covariance structures, and stochastic gradient training. Specifically, we apply additive base kernels to subsets of output features from deep neural architectures, and jointly learn the parameters of the base kernels and deep network through a Gaussian process marginal likelihood objective. Within this framework, we derive an efficient form of stochastic variational inference which leverages local kernel interpolation, inducing points, and structure exploiting algebra. We show improved performance over stand alone deep networks, SVMs, and state of the art scalable Gaussian processes on several classification benchmarks, including an airline delay dataset containing 6 million training points, CIFAR, and ImageNet.

Adaptive stochastic gradient methods such as AdaGrad have gained popularity in particular for training deep neural networks. The most commonly used and studied variant maintains a diagonal matrix approximation to second order information by accumulating past gradients which are used to tune the step size adaptively. In certain situations the full-matrix variant of AdaGrad is expected to attain better performance, however in high dimensions it is computationally impractical. We present Ada-LR and RadaGrad two computationally efficient approximations to full-matrix AdaGrad based on randomized dimensionality reduction. They are able to capture dependencies between features and achieve similar performance to full-matrix AdaGrad but at a much smaller computational cost.

Stochastic gradient-based Monte Carlo methods such as stochastic gradient Langevin dynamics are useful tools for posterior inference on large scale datasets in many machine learning applications. These methods scale to large datasets by using noisy gradients calculated using a mini-batch or subset of the dataset. However, the high variance inherent in these noisy gradients degrades performance and leads to slower mixing. In this paper, we present techniques for reducing variance in stochastic gradient Langevin dynamics, yielding novel stochastic Monte Carlo methods that improve performance by reducing the variance in the stochastic gradient. We show that our proposed method has better theoretical guarantees on convergence rate than stochastic Langevin dynamics. This is complemented by impressive empirical results obtained on a variety of real world datasets, and on four different machine learning tasks (regression, classification, independent component analysis and mixture modeling).