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We propose nonparametric estimators for the second-order central moments of spherical random fields within a functional data context. We consider a measurement framework where each field among an identically distributed collection of spherical random fields is sampled at a few random directions, possibly subject to measurement error. The collection of fields could be i.i.d. or serially dependent. Though similar setups have already been explored for random functions defined on the unit interval, the nonparametric estimators proposed in the literature often rely on local polynomials, which do not readily extend to the (product) spherical setting. We therefore formulate our estimation procedure as a variational problem involving a generalized Tikhonov regularization term. The latter favours smooth covariance/autocovariance functions, where the smoothness is specified by means of suitable Sobolev-like pseudo-differential operators. Using the machinery of reproducing kernel Hilbert spaces, we establish representer theorems that fully characterizing the form of our estimators. We determine their uniform rates of convergence as the number of fields diverges, both for the dense (increasing number of spatial samples) and sparse (bounded number of spatial samples) regimes. We moreover validate and demonstrate the practical feasibility of our estimation procedure in a simulation setting, assuming a fixed number of samples per field. Our numerical estimation procedure leverages the sparsity and second-order Kronecker structure of our setup to reduce the computational and memory requirements by approximately three orders of magnitude compared to a naive implementation would require.

We develop a probabilistic characterisation of trajectorial expansion rates in non-autonomous stochastic dynamical systems that can be defined over a finite time interval and used for the subsequent uncertainty quantification in Lagrangian (trajectory-based) predictions. These expansion rates are quantified via certain divergences (pre-metrics) between probability measures induced by the laws of the stochastic flow associated with the underlying dynamics. We construct scalar fields of finite-time divergence/expansion rates, show their existence and space-time continuity for general stochastic flows. Combining these divergence rate fields with our 'information inequalities' derived in allows for quantification and mitigation of the uncertainty in path-based observables estimated from simplified models in a way that is amenable to algorithmic implementations, and it can be utilised in information-geometric analysis of statistical estimation and inference, as well as in a data-driven machine/deep learning of coarse-grained models. We also derive a link between the divergence rates and finite-time Lyapunov exponents for probability measures and for path-based observables.

The crucial role played by the underlying symmetries of high energy physics and lattice field theories calls for the implementation of such symmetries in the neural network architectures that are applied to the physical system under consideration. In these proceedings, we focus on the consequences of incorporating translational equivariance among the network properties, particularly in terms of performance and generalization. The benefits of equivariant networks are exemplified by studying a complex scalar field theory, on which various regression and classification tasks are examined. For a meaningful comparison, promising equivariant and non-equivariant architectures are identified by means of a systematic search. The results indicate that in most of the tasks our best equivariant architectures can perform and generalize significantly better than their non-equivariant counterparts, which applies not only to physical parameters beyond those represented in the training set, but also to different lattice sizes.

In recent years, the use of machine learning has become increasingly popular in the context of lattice field theories. An essential element of such theories is represented by symmetries, whose inclusion in the neural network properties can lead to high reward in terms of performance and generalizability. A fundamental symmetry that usually characterizes physical systems on a lattice with periodic boundary conditions is equivariance under spacetime translations. Here we investigate the advantages of adopting translationally equivariant neural networks in favor of non-equivariant ones. The system we consider is a complex scalar field with quartic interaction on a two-dimensional lattice in the flux representation, on which the networks carry out various regression and classification tasks. Promising equivariant and non-equivariant architectures are identified with a systematic search. We demonstrate that in most of these tasks our best equivariant architectures can perform and generalize significantly better than their non-equivariant counterparts, which applies not only to physical parameters beyond those represented in the training set, but also to different lattice sizes.

A framework is presented for fitting inverse problem models via variational Bayes approximations. This methodology guarantees flexibility to statistical model specification for a broad range of applications, good accuracy performances and reduced model fitting times, when compared with standard Markov chain Monte Carlo methods. The message passing and factor graph fragment approach to variational Bayes we describe facilitates streamlined implementation of approximate inference algorithms and forms the basis to software development. Such approach allows for supple inclusion of numerous response distributions and penalizations into the inverse problem model. Even though our work is circumscribed to one- and two-dimensional response variables, we lay down an infrastructure where efficient algorithm updates based on nullifying weak interactions between variables can also be derived for inverse problems in higher dimensions. Image processing applications motivated by biomedical and archaeological problems are included as illustrations.

We present a Reduced Order Model (ROM) which exploits recent developments in Physics Informed Neural Networks (PINNs) for solving inverse problems for the Navier--Stokes equations (NSE). In the proposed approach, the presence of simulated data for the fluid dynamics fields is assumed. A POD-Galerkin ROM is then constructed by applying POD on the snapshots matrices of the fluid fields and performing a Galerkin projection of the NSE (or the modified equations in case of turbulence modeling) onto the POD reduced basis. A $\textit{POD-Galerkin PINN ROM}$ is then derived by introducing deep neural networks which approximate the reduced outputs with the input being time and/or parameters of the model. The neural networks incorporate the physical equations (the POD-Galerkin reduced equations) into their structure as part of the loss function. Using this approach, the reduced model is able to approximate unknown parameters such as physical constants or the boundary conditions. A demonstration of the applicability of the proposed ROM is illustrated by two cases which are the steady flow around a backward step and the unsteady turbulent flow around a surface mounted cubic obstacle.

We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while feedforward neural networks, a.k.a. multilayer perceptrons (MLPs), do not extrapolate well in certain simple tasks, Graph Neural Networks (GNNs), a structured network with MLP modules, have shown some success in more complex tasks. Working towards a theoretical explanation, we identify conditions under which MLPs and GNNs extrapolate well. First, we quantify the observation that ReLU MLPs quickly converge to linear functions along any direction from the origin, which implies that ReLU MLPs do not extrapolate most nonlinear functions. But, they can provably learn a linear target function when the training distribution is sufficiently diverse. Second, in connection to analyzing the successes and limitations of GNNs, these results suggest a hypothesis for which we provide theoretical and empirical evidence: the success of GNNs in extrapolating algorithmic tasks to new data (e.g., larger graphs or edge weights) relies on encoding task-specific non-linearities in the architecture or features. Our theoretical analysis builds on a connection of over-parameterized networks to the neural tangent kernel. Empirically, our theory holds across different training settings.

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the actual task the GNN is solving. In absence of reliable domain expertise, one might resort to inferring the latent graph structure, which is often difficult due to the vast search space of possible graphs. Here we introduce Pointer Graph Networks (PGNs) which augment sets or graphs with additional inferred edges for improved model generalisation ability. PGNs allow each node to dynamically point to another node, followed by message passing over these pointers. The sparsity of this adaptable graph structure makes learning tractable while still being sufficiently expressive to simulate complex algorithms. Critically, the pointing mechanism is directly supervised to model long-term sequences of operations on classical data structures, incorporating useful structural inductive biases from theoretical computer science. Qualitatively, we demonstrate that PGNs can learn parallelisable variants of pointer-based data structures, namely disjoint set unions and link/cut trees. PGNs generalise out-of-distribution to 5x larger test inputs on dynamic graph connectivity tasks, outperforming unrestricted GNNs and Deep Sets.

Alternating Direction Method of Multipliers (ADMM) is a widely used tool for machine learning in distributed settings, where a machine learning model is trained over distributed data sources through an interactive process of local computation and message passing. Such an iterative process could cause privacy concerns of data owners. The goal of this paper is to provide differential privacy for ADMM-based distributed machine learning. Prior approaches on differentially private ADMM exhibit low utility under high privacy guarantee and often assume the objective functions of the learning problems to be smooth and strongly convex. To address these concerns, we propose a novel differentially private ADMM-based distributed learning algorithm called DP-ADMM, which combines an approximate augmented Lagrangian function with time-varying Gaussian noise addition in the iterative process to achieve higher utility for general objective functions under the same differential privacy guarantee. We also apply the moments accountant method to bound the end-to-end privacy loss. The theoretical analysis shows that DP-ADMM can be applied to a wider class of distributed learning problems, is provably convergent, and offers an explicit utility-privacy tradeoff. To our knowledge, this is the first paper to provide explicit convergence and utility properties for differentially private ADMM-based distributed learning algorithms. The evaluation results demonstrate that our approach can achieve good convergence and model accuracy under high end-to-end differential privacy guarantee.

Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.