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The Dean-Kawasaki equation - one of the most fundamental SPDEs of fluctuating hydrodynamics - has been proposed as a model for density fluctuations in weakly interacting particle systems. In its original form it is highly singular and fails to be renormalizable even by approaches such as regularity structures and paracontrolled distributions, hindering mathematical approaches to its rigorous justification. It has been understood recently that it is natural to introduce a suitable regularization, e.g., by applying a formal spatial discretization or by truncating high-frequency noise. In the present work, we prove that a regularization in form of a formal discretization of the Dean-Kawasaki equation indeed accurately describes density fluctuations in systems of weakly interacting diffusing particles: We show that in suitable weak metrics, the law of fluctuations as predicted by the discretized Dean-Kawasaki SPDE approximates the law of fluctuations of the original particle system, up to an error that is of arbitrarily high order in the inverse particle number and a discretization error. In particular, the Dean-Kawasaki equation provides a means for efficient and accurate simulations of density fluctuations in weakly interacting particle systems.

In many applications, it is of interest to identify a parsimonious set of features, or panel, from multiple candidates that achieves a desired level of performance in predicting a response. This task is often complicated in practice by missing data arising from the sampling design or other random mechanisms. Most recent work on variable selection in missing data contexts relies in some part on a finite-dimensional statistical model, e.g., a generalized or penalized linear model. In cases where this model is misspecified, the selected variables may not all be truly scientifically relevant and can result in panels with suboptimal classification performance. To address this limitation, we propose a nonparametric variable selection algorithm combined with multiple imputation to develop flexible panels in the presence of missing-at-random data. We outline strategies based on the proposed algorithm that achieve control of commonly used error rates. Through simulations, we show that our proposal has good operating characteristics and results in panels with higher classification and variable selection performance compared to several existing penalized regression approaches in cases where a generalized linear model is misspecified. Finally, we use the proposed method to develop biomarker panels for separating pancreatic cysts with differing malignancy potential in a setting where complicated missingness in the biomarkers arose due to limited specimen volumes.

Quantized tensor trains (QTTs) have recently emerged as a framework for the numerical discretization of continuous functions, with the potential for widespread applications in numerical analysis. However, the theory of QTT approximation is not fully understood. In this work, we advance this theory from the point of view of multiscale polynomial interpolation. This perspective clarifies why QTT ranks decay with increasing depth, quantitatively controls QTT rank in terms of smoothness of the target function, and explains why certain functions with sharp features and poor quantitative smoothness can still be well approximated by QTTs. The perspective also motivates new practical and efficient algorithms for the construction of QTTs from function evaluations on multiresolution grids.

Maximal regularity is a kind of a priori estimates for parabolic-type equations and it plays an important role in the theory of nonlinear differential equations. The aim of this paper is to investigate the temporally discrete counterpart of maximal regularity for the discontinuous Galerkin (DG) time-stepping method. We will establish such an estimate without logarithmic factor over a quasi-uniform temporal mesh. To show the main result, we introduce the temporally regularized Green's function and then reduce the discrete maximal regularity to a weighted error estimate for its DG approximation. Our results would be useful for investigation of DG approximation of nonlinear parabolic problems.

We are interested in assessing the use of neural networks as surrogate models to approximate and minimize objective functions in optimization problems. While neural networks are widely used for machine learning tasks such as classification and regression, their application in solving optimization problems has been limited. Our study begins by determining the best activation function for approximating the objective functions of popular nonlinear optimization test problems, and the evidence provided shows that~SiLU has the best performance. We then analyze the accuracy of function value, gradient, and Hessian approximations for such objective functions obtained through interpolation/regression models and neural networks. When compared to interpolation/regression models, neural networks can deliver competitive zero- and first-order approximations (at a high training cost) but underperform on second-order approximation. However, it is shown that combining a neural net activation function with the natural basis for quadratic interpolation/regression can waive the necessity of including cross terms in the natural basis, leading to models with fewer parameters to determine. Lastly, we provide evidence that the performance of a state-of-the-art derivative-free optimization algorithm can hardly be improved when the gradient of an objective function is approximated using any of the surrogate models considered, including neural networks.

With advances in scientific computing and mathematical modeling, complex scientific phenomena such as galaxy formations and rocket propulsion can now be reliably simulated. Such simulations can however be very time-intensive, requiring millions of CPU hours to perform. One solution is multi-fidelity emulation, which uses data of different fidelities to train an efficient predictive model which emulates the expensive simulator. For complex scientific problems and with careful elicitation from scientists, such multi-fidelity data may often be linked by a directed acyclic graph (DAG) representing its scientific model dependencies. We thus propose a new Graphical Multi-fidelity Gaussian Process (GMGP) model, which embeds this DAG structure (capturing scientific dependencies) within a Gaussian process framework. We show that the GMGP has desirable modeling traits via two Markov properties, and admits a scalable algorithm for recursive computation of the posterior mean and variance along at each depth level of the DAG. We also present a novel experimental design methodology over the DAG given an experimental budget, and propose a nonlinear extension of the GMGP via deep Gaussian processes. The advantages of the GMGP are then demonstrated via a suite of numerical experiments and an application to emulation of heavy-ion collisions, which can be used to study the conditions of matter in the Universe shortly after the Big Bang. The proposed model has broader uses in data fusion applications with graphical structure, which we further discuss.

The influence of natural image transformations on receptive field responses is crucial for modelling visual operations in computer vision and biological vision. In this regard, covariance properties with respect to geometric image transformations in the earliest layers of the visual hierarchy are essential for expressing robust image operations and for formulating invariant visual operations at higher levels. This paper defines and proves a joint covariance property under compositions of spatial scaling transformations, spatial affine transformations, Galilean transformations and temporal scaling transformations, which makes it possible to characterize how different types of image transformations interact with each other. Specifically, the derived relations show how the receptive field parameters need to be transformed, in order to match the output from spatio-temporal receptive fields with the underlying spatio-temporal image transformations.

Noisy vibrotactile signals transmitted during tactile explorations of an object provide precious information on the nature of its surface. Linking the properties of such vibrotactile signals to the way they are interpreted by the haptic sensory system remains challenging. In this study, we investigated humans' perception of noisy, stationary vibrations recorded during exploration of textures and reproduced using a vibrotactile actuator. Since intensity is a well-established essential perceptual attribute, an intensity equalization was first conducted, providing a model for its estimation. The equalized stimuli were further used to identify the most salient spectral features in a second experiment using dissimilarity estimations between pairs of vibrations. Based on dimensionally reduced spectral representations, linear models of dissimilarity prediction showed that the balance between low and high frequencies was the most important cue. Formal validation of this result was achieved through a Mushra experiment, where participants assessed the fidelity of resynthesized vibrations with various distorted frequency balances. These findings offer valuable insights into human vibrotactile perception and establish a computational framework for analyzing vibrations as humans do. Moreover, they pave the way for signal synthesis and compression based on sparse representations, holding significance for applications involving complex vibratory feedback.

Human motion trajectory prediction is a very important functionality for human-robot collaboration, specifically in accompanying, guiding, or approaching tasks, but also in social robotics, self-driving vehicles, or security systems. In this paper, a novel trajectory prediction model, Social Force Generative Adversarial Network (SoFGAN), is proposed. SoFGAN uses a Generative Adversarial Network (GAN) and Social Force Model (SFM) to generate different plausible people trajectories reducing collisions in a scene. Furthermore, a Conditional Variational Autoencoder (CVAE) module is added to emphasize the destination learning. We show that our method is more accurate in making predictions in UCY or BIWI datasets than most of the current state-of-the-art models and also reduces collisions in comparison to other approaches. Through real-life experiments, we demonstrate that the model can be used in real-time without GPU's to perform good quality predictions with a low computational cost.

Learning distance functions between complex objects, such as the Wasserstein distance to compare point sets, is a common goal in machine learning applications. However, functions on such complex objects (e.g., point sets and graphs) are often required to be invariant to a wide variety of group actions e.g. permutation or rigid transformation. Therefore, continuous and symmetric product functions (such as distance functions) on such complex objects must also be invariant to the product of such group actions. We call these functions symmetric and factor-wise group invariant (or SFGI functions in short). In this paper, we first present a general neural network architecture for approximating SFGI functions. The main contribution of this paper combines this general neural network with a sketching idea to develop a specific and efficient neural network which can approximate the $p$-th Wasserstein distance between point sets. Very importantly, the required model complexity is independent of the sizes of input point sets. On the theoretical front, to the best of our knowledge, this is the first result showing that there exists a neural network with the capacity to approximate Wasserstein distance with bounded model complexity. Our work provides an interesting integration of sketching ideas for geometric problems with universal approximation of symmetric functions. On the empirical front, we present a range of results showing that our newly proposed neural network architecture performs comparatively or better than other models (including a SOTA Siamese Autoencoder based approach). In particular, our neural network generalizes significantly better and trains much faster than the SOTA Siamese AE. Finally, this line of investigation could be useful in exploring effective neural network design for solving a broad range of geometric optimization problems (e.g., $k$-means in a metric space).