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We study scalable machine learning models for full event reconstruction in high-energy electron-positron collisions based on a highly granular detector simulation. Particle-flow (PF) reconstruction can be formulated as a supervised learning task using tracks and calorimeter clusters or hits. We compare a graph neural network and kernel-based transformer and demonstrate that both avoid quadratic memory allocation and computational cost while achieving realistic PF reconstruction. We show that hyperparameter tuning on a supercomputer significantly improves the physics performance of the models. We also demonstrate that the resulting model is highly portable across hardware processors, supporting Nvidia, AMD, and Intel Habana cards. Finally, we demonstrate that the model can be trained on highly granular inputs consisting of tracks and calorimeter hits, resulting in a competitive physics performance with the baseline. Datasets and software to reproduce the studies are published following the findable, accessible, interoperable, and reusable (FAIR) principles.

This study focuses on the use of model and data fusion for improving the Spalart-Allmaras (SA) closure model for Reynolds-averaged Navier-Stokes solutions of separated flows. In particular, our goal is to develop of models that not-only assimilate sparse experimental data to improve performance in computational models, but also generalize to unseen cases by recovering classical SA behavior. We achieve our goals using data assimilation, namely the Ensemble Kalman Filtering approach (EnKF), to calibrate the coefficients of the SA model for separated flows. A holistic calibration strategy is implemented via a parameterization of the production, diffusion, and destruction terms. This calibration relies on the assimilation of experimental data collected velocity profiles, skin friction, and pressure coefficients for separated flows. Despite using of observational data from a single flow condition around a backward-facing step (BFS), the recalibrated SA model demonstrates generalization to other separated flows, including cases such as the 2D-bump and modified BFS. Significant improvement is observed in the quantities of interest, i.e., skin friction coefficient ($C_f$) and pressure coefficient ($C_p$) for each flow tested. Finally, it is also demonstrated that the newly proposed model recovers SA proficiency for external, unseparated flows, such as flow around a NACA-0012 airfoil without any danger of extrapolation, and that the individually calibrated terms in the SA model are targeted towards specific flow-physics wherein the calibrated production term improves the re-circulation zone while destruction improves the recovery zone.

We analyse a numerical scheme for a system arising from a novel description of the standard elastic--perfectly plastic response. The elastic--perfectly plastic response is described via rate-type equations that do not make use of the standard elastic-plastic decomposition, and the model does not require the use of variational inequalities. Furthermore, the model naturally includes the evolution equation for temperature. We present a low order discretisation based on the finite element method. Under certain restrictions on the mesh we subsequently prove the existence of discrete solutions, and we discuss the stability properties of the numerical scheme. The analysis is supplemented with computational examples.

Given a boolean formula $\Phi$(X, Y, Z), the Max\#SAT problem asks for finding a partial model on the set of variables X, maximizing its number of projected models over the set of variables Y. We investigate a strict generalization of Max\#SAT allowing dependencies for variables in X, effectively turning it into a synthesis problem. We show that this new problem, called DQMax\#SAT, subsumes both the DQBF and DSSAT problems. We provide a general resolution method, based on a reduction to Max\#SAT, together with two improvements for dealing with its inherent complexity. We further discuss a concrete application of DQMax\#SAT for symbolic synthesis of adaptive attackers in the field of program security. Finally, we report preliminary results obtained on the resolution of benchmark problems using a prototype DQMax\#SAT solver implementation.

This article introduces an innovative mathematical framework designed to tackle non-linear convex variational problems in reflexive Banach spaces. Our approach employs a versatile technique that can handle a broad range of variational problems, including standard ones. To carry out the process effectively, we utilize specialized sets known as radial dictionaries, where these dictionaries encompass diverse data types, such as tensors in Tucker format with bounded rank and Neural Networks with fixed architecture and bounded parameters. The core of our method lies in employing a greedy algorithm through dictionary optimization defined by a multivalued map. Significantly, our analysis shows that the convergence rate achieved by our approach is comparable to the Method of Steepest Descend implemented in a reflexive Banach space, where the convergence rate follows the order of $O(m^{-1})$.

With the increasing availability of large scale datasets, computational power and tools like automatic differentiation and expressive neural network architectures, sequential data are now often treated in a data-driven way, with a dynamical model trained from the observation data. While neural networks are often seen as uninterpretable black-box architectures, they can still benefit from physical priors on the data and from mathematical knowledge. In this paper, we use a neural network architecture which leverages the long-known Koopman operator theory to embed dynamical systems in latent spaces where their dynamics can be described linearly, enabling a number of appealing features. We introduce methods that enable to train such a model for long-term continuous reconstruction, even in difficult contexts where the data comes in irregularly-sampled time series. The potential for self-supervised learning is also demonstrated, as we show the promising use of trained dynamical models as priors for variational data assimilation techniques, with applications to e.g. time series interpolation and forecasting.

Developing an efficient computational scheme for high-dimensional Bayesian variable selection in generalised linear models and survival models has always been a challenging problem due to the absence of closed-form solutions for the marginal likelihood. The RJMCMC approach can be employed to samples model and coefficients jointly, but effective design of the transdimensional jumps of RJMCMC can be challenge, making it hard to implement. Alternatively, the marginal likelihood can be derived using data-augmentation scheme e.g. Polya-gamma data argumentation for logistic regression) or through other estimation methods. However, suitable data-augmentation schemes are not available for every generalised linear and survival models, and using estimations such as Laplace approximation or correlated pseudo-marginal to derive marginal likelihood within a locally informed proposal can be computationally expensive in the "large n, large p" settings. In this paper, three main contributions are presented. Firstly, we present an extended Point-wise implementation of Adaptive Random Neighbourhood Informed proposal (PARNI) to efficiently sample models directly from the marginal posterior distribution in both generalised linear models and survival models. Secondly, in the light of the approximate Laplace approximation, we also describe an efficient and accurate estimation method for the marginal likelihood which involves adaptive parameters. Additionally, we describe a new method to adapt the algorithmic tuning parameters of the PARNI proposal by replacing the Rao-Blackwellised estimates with the combination of a warm-start estimate and an ergodic average. We present numerous numerical results from simulated data and 8 high-dimensional gene fine mapping data-sets to showcase the efficiency of the novel PARNI proposal compared to the baseline add-delete-swap proposal.

We give a short survey of recent results on sparse-grid linear algorithms of approximate recovery and integration of functions possessing a unweighted or weighted Sobolev mixed smoothness based on their sampled values at a certain finite set. Some of them are extended to more general cases.

We develop an automated computational modeling framework for rapid gradient-based design of multistable soft mechanical structures composed of non-identical bistable unit cells with appropriate geometric parameterization. This framework includes a custom isogeometric analysis-based continuum mechanics solver that is robust and end-to-end differentiable, which enables geometric and material optimization to achieve a desired multistability pattern. We apply this numerical modeling approach in two dimensions to design a variety of multistable structures, accounting for various geometric and material constraints. Our framework demonstrates consistent agreement with experimental results, and robust performance in designing for multistability, which facilities soft actuator design with high precision and reliability.

Digital memcomputing machines (DMMs) are a new class of computing machines that employ non-quantum dynamical systems with memory to solve combinatorial optimization problems. Here, we show that the time to solution (TTS) of DMMs follows an inverse Gaussian distribution, with the TTS self-averaging with increasing problem size, irrespective of the problem they solve. We provide both an analytical understanding of this phenomenon and numerical evidence by solving instances of the 3-SAT (satisfiability) problem. The self-averaging property of DMMs with problem size implies that they are increasingly insensitive to the detailed features of the instances they solve. This is in sharp contrast to traditional algorithms applied to the same problems, illustrating another advantage of this physics-based approach to computation.