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Scale-free dynamics, formalized by selfsimilarity, provides a versatile paradigm massively and ubiquitously used to model temporal dynamics in real-world data. However, its practical use has mostly remained univariate so far. By contrast, modern applications often demand multivariate data analysis. Accordingly, models for multivariate selfsimilarity were recently proposed. Nevertheless, they have remained rarely used in practice because of a lack of available robust estimation procedures for the vector of selfsimilarity parameters. Building upon recent mathematical developments, the present work puts forth an efficient estimation procedure based on the theoretical study of the multiscale eigenstructure of the wavelet spectrum of multivariate selfsimilar processes. The estimation performance is studied theoretically in the asymptotic limits of large scale and sample sizes, and computationally for finite-size samples. As a practical outcome, a fully operational and documented multivariate signal processing estimation toolbox is made freely available and is ready for practical use on real-world data. Its potential benefits are illustrated in epileptic seizure prediction from multi-channel EEG data.

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A posteriori reduced-order models, e.g. proper orthogonal decomposition, are essential to affordably tackle realistic parametric problems. They rely on a trustful training set, that is a family of full-order solutions (snapshots) representative of all possible outcomes of the parametric problem. Having such a rich collection of snapshots is not, in many cases, computationally viable. A strategy for data augmentation, designed for parametric laminar incompressible flows, is proposed to enrich poorly populated training sets. The goal is to include in the new, artificial snapshots emerging features, not present in the original basis, that do enhance the quality of the reduced-order solution. The methodologies devised are based on exploiting basic physical principles, such as mass and momentum conservation, to devise physically-relevant, artificial snapshots at a fraction of the cost of additional full-order solutions. Interestingly, the numerical results show that the ideas exploiting only mass conservation (i.e., incompressibility) are not producing significant added value with respect to the standard linear combinations of snapshots. Conversely, accounting for the linearized momentum balance via the Oseen equation does improve the quality of the resulting approximation and therefore is an effective data augmentation strategy in the framework of viscous incompressible laminar flows.

Robotic systems are complex cyber-physical systems (CPS) commonly equipped with multiple sensors and effectors. Recent simulation methods enable the Digital Twin (DT) concept realisation. However, DT employment in robotic system development, e.g. in-development testing, is unclear. During the system development, its parts evolve from simulated mockups to physical parts which run software deployed on the actual hardware. Therefore, a design tool and a flexible development procedure ensuring the integrity of the simulated and physical parts are required. We aim to maximise the integration between a CPS's simulated and physical parts in various setups. The better integration, the better simulation-based testing coverage of the physical part (hardware and software). We propose a Domain Specification Language (DSL) based on Systems Modeling Language (SysML) that we refer to as SPSysML (Simulation-Physical System Modeling Language). SPSysML defines the taxonomy of a Simulation-Physical System (SPSys), being a CPS consisting of at least a physical or simulated part. In particular, the simulated ones can be DTs. We propose a SPSys Development Procedure (SPSysDP) that enables the maximisation of the simulation-physical integrity of SPSys by evaluating the proposed factors. SPSysDP is used to develop a complex robotic system for the INCARE project. In subsequent iterations of SPSysDP, the simulation-physical integrity of the system is maximised. As a result, the system model consists of fewer components, and a greater fraction of the system components are shared between various system setups. We implement and test the system with popular frameworks, Robot Operating System (ROS) and Gazebo simulator. SPSysML with SPSysDP enables the design of SPSys (including DT and CPS), multi-setup system development featuring maximised integrity between simulation and physical parts in its setups.

Many interesting physical problems described by systems of hyperbolic conservation laws are stiff, and thus impose a very small time-step because of the restrictive CFL stability condition. In this case, one can exploit the superior stability properties of implicit time integration which allows to choose the time-step only from accuracy requirements, and thus avoid the use of small time-steps. We discuss an efficient framework to devise high order implicit schemes for stiff hyperbolic systems without tailoring it to a specific problem. The nonlinearity of high order schemes, due to space- and time-limiting procedures which control nonphysical oscillations, makes the implicit time integration difficult, e.g.~because the discrete system is nonlinear also on linear problems. This nonlinearity of the scheme is circumvented as proposed in (Puppo et al., Comm.~Appl.~Math.~\& Comput., 2023) for scalar conservation laws, where a first order implicit predictor is computed to freeze the nonlinear coefficients of the essentially non-oscillatory space reconstruction, and also to assist limiting in time. In addition, we propose a novel conservative flux-centered a-posteriori time-limiting procedure using numerical entropy indicators to detect troubled cells. The numerical tests involve classical and artificially devised stiff problems using the Euler's system of gas-dynamics.

Transformers play a central role in the inner workings of large language models. We develop a mathematical framework for analyzing Transformers based on their interpretation as interacting particle systems, which reveals that clusters emerge in long time. Our study explores the underlying theory and offers new perspectives for mathematicians as well as computer scientists.

Nowadays, machine learning algorithms continue to grow in complexity and require a substantial amount of computational resources and energy. For these reasons, there is a growing awareness of the development of new green algorithms and distributed AI can contribute to this. Federated learning (FL) is one of the most active research lines in machine learning, as it allows the training of collaborative models in a distributed way, an interesting option in many real-world environments, such as the Internet of Things, allowing the use of these models in edge computing devices. In this work, we present a FL method, based on a neural network without hidden layers, capable of generating a global collaborative model in a single training round, unlike traditional FL methods that require multiple rounds for convergence. This allows obtaining an effective and efficient model that simplifies the management of the training process. Moreover, this method preserve data privacy by design, a crucial aspect in current data protection regulations. We conducted experiments with large datasets and a large number of federated clients. Despite being based on a network model without hidden layers, it maintains in all cases competitive accuracy results compared to more complex state-of-the-art machine learning models. Furthermore, we show that the method performs equally well in both identically and non-identically distributed scenarios. Finally, it is an environmentally friendly algorithm as it allows significant energy savings during the training process compared to its centralized counterpart.

Deep neural networks (DNNs) often fail silently with over-confident predictions on out-of-distribution (OOD) samples, posing risks in real-world deployments. Existing techniques predominantly emphasize either the feature representation space or the gradient norms computed with respect to DNN parameters, yet they overlook the intricate gradient distribution and the topology of classification regions. To address this gap, we introduce GRadient-aware Out-Of-Distribution detection in interpolated manifolds (GROOD), a novel framework that relies on the discriminative power of gradient space to distinguish between in-distribution (ID) and OOD samples. To build this space, GROOD relies on class prototypes together with a prototype that specifically captures OOD characteristics. Uniquely, our approach incorporates a targeted mix-up operation at an early intermediate layer of the DNN to refine the separation of gradient spaces between ID and OOD samples. We quantify OOD detection efficacy using the distance to the nearest neighbor gradients derived from the training set, yielding a robust OOD score. Experimental evaluations substantiate that the introduction of targeted input mix-upamplifies the separation between ID and OOD in the gradient space, yielding impressive results across diverse datasets. Notably, when benchmarked against ImageNet-1k, GROOD surpasses the established robustness of state-of-the-art baselines. Through this work, we establish the utility of leveraging gradient spaces and class prototypes for enhanced OOD detection for DNN in image classification.

High-order tensor methods for solving both convex and nonconvex optimization problems have generated significant research interest, leading to algorithms with optimal global rates of convergence and local rates that are faster than Newton's method. On each iteration, these methods require the unconstrained local minimization of a (potentially nonconvex) multivariate polynomial of degree higher than two, constructed using third-order (or higher) derivative information, and regularized by an appropriate power of regularization. Developing efficient techniques for solving such subproblems is an ongoing topic of research, and this paper addresses the case of the third-order tensor subproblem. We propose the CQR algorithmic framework, for minimizing a nonconvex Cubic multivariate polynomial with Quartic Regularisation, by minimizing a sequence of local quadratic models that incorporate simple cubic and quartic terms. The role of the cubic term is to crudely approximate local tensor information, while the quartic one controls model regularization and progress. We provide necessary and sufficient optimality conditions that fully characterise the global minimizers of these cubic-quartic models. We then turn these conditions into secular equations that can be solved using nonlinear eigenvalue techniques. We show, using our optimality characterisations, that a CQR algorithmic variant has the optimal-order evaluation complexity of $\mathcal{O}(\epsilon^{-3/2})$ when applied to minimizing our quartically-regularised cubic subproblem, which can be further improved in special cases. We propose practical CQR variants that use local tensor information to construct the local cubic-quartic models. We test these variants numerically and observe them to be competitive with ARC and other subproblem solvers on typical instances and even superior on ill-conditioned subproblems with special structure.

Partitioned neural network functions are used to approximate the solution of partial differential equations. The problem domain is partitioned into non-overlapping subdomains and the partitioned neural network functions are defined on the given non-overlapping subdomains. Each neural network function then approximates the solution in each subdomain. To obtain the convergent neural network solution, certain continuity conditions on the partitioned neural network functions across the subdomain interface need to be included in the loss function, that is used to train the parameters in the neural network functions. In our work, by introducing suitable interface values, the loss function is reformulated into a sum of localized loss functions and each localized loss function is used to train the corresponding local neural network parameters. In addition, to accelerate the neural network solution convergence, the localized loss function is enriched with an augmented Lagrangian term, where the interface condition and the boundary condition are enforced as constraints on the local solutions by using Lagrange multipliers. The local neural network parameters and Lagrange multipliers are then found by optimizing the localized loss function. To take the advantage of the localized loss function for the parallel computation, an iterative algorithm is also proposed. For the proposed algorithms, their training performance and convergence are numerically studied for various test examples.

Artificial neural networks thrive in solving the classification problem for a particular rigid task, acquiring knowledge through generalized learning behaviour from a distinct training phase. The resulting network resembles a static entity of knowledge, with endeavours to extend this knowledge without targeting the original task resulting in a catastrophic forgetting. Continual learning shifts this paradigm towards networks that can continually accumulate knowledge over different tasks without the need to retrain from scratch. We focus on task incremental classification, where tasks arrive sequentially and are delineated by clear boundaries. Our main contributions concern 1) a taxonomy and extensive overview of the state-of-the-art, 2) a novel framework to continually determine the stability-plasticity trade-off of the continual learner, 3) a comprehensive experimental comparison of 11 state-of-the-art continual learning methods and 4 baselines. We empirically scrutinize method strengths and weaknesses on three benchmarks, considering Tiny Imagenet and large-scale unbalanced iNaturalist and a sequence of recognition datasets. We study the influence of model capacity, weight decay and dropout regularization, and the order in which the tasks are presented, and qualitatively compare methods in terms of required memory, computation time, and storage.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

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