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We introduce a new mean-field ODE and corresponding interacting particle systems for sampling from an unnormalized target density or Bayesian posterior. The interacting particle systems are gradient-free, available in closed form, and only require the ability to sample from the reference density and compute the (unnormalized) target-to-reference density ratio. The mean-field ODE is obtained by solving a Poisson equation for a velocity field that transports samples along the geometric mixture of the two densities, which is the path of a particular Fisher-Rao gradient flow. We employ a reproducing kernel Hilbert space ansatz for the velocity field, which makes the Poisson equation tractable and enables us to discretize the resulting mean-field ODE over finite samples, as a simple interacting particle system. The mean-field ODE can be additionally be derived from a discrete-time perspective as the limit of successive linearizations of the Monge-Amp\`ere equations within a framework known as sample-driven optimal transport. We demonstrate empirically that our interacting particle systems can produce high-quality samples from distributions with varying characteristics.

Radial basis function generated finite-difference (RBF-FD) methods have recently gained popularity due to their flexibility with irregular node distributions. However, the convergence theories in the literature, when applied to nonuniform node distributions, require shrinking fill distance and do not take advantage of areas with high data density. Non-adaptive approach using same stencil size and degree of appended polynomial will have higher local accuracy at high density region, but has no effect on the overall order of convergence and could be a waste of computational power. This work proposes an adaptive RBF-FD method that utilizes the local data density to achieve a desirable order accuracy. By performing polynomial refinement and using adaptive stencil size based on data density, the adaptive RBF-FD method yields differentiation matrices with higher sparsity while achieving the same user-specified convergence order for nonuniform point distributions. This allows the method to better leverage regions with higher node density, maintaining both accuracy and efficiency compared to standard non-adaptive RBF-FD methods.

Physics-informed machine learning (PIML) has emerged as a promising alternative to conventional numerical methods for solving partial differential equations (PDEs). PIML models are increasingly built via deep neural networks (NNs) whose architecture and training process are designed such that the network satisfies the PDE system. While such PIML models have substantially advanced over the past few years, their performance is still very sensitive to the NN's architecture and loss function. Motivated by this limitation, we introduce kernel-weighted Corrective Residuals (CoRes) to integrate the strengths of kernel methods and deep NNs for solving nonlinear PDE systems. To achieve this integration, we design a modular and robust framework which consistently outperforms competing methods in solving a broad range of benchmark problems. This performance improvement has a theoretical justification and is particularly attractive since we simplify the training process while negligibly increasing the inference costs. Additionally, our studies on solving multiple PDEs indicate that kernel-weighted CoRes considerably decrease the sensitivity of NNs to factors such as random initialization, architecture type, and choice of optimizer. We believe our findings have the potential to spark a renewed interest in leveraging kernel methods for solving PDEs.

Efficient algorithms for solving high-dimensional partial differential equations (PDEs) has been an exceedingly difficult task for a long time, due to the curse of dimensionality. We extend the forward-backward stochastic neural networks (FBSNNs) which depends on forward-backward stochastic differential equation (FBSDE) to solve incompressible Navier-Stokes equation. For Cahn-Hilliard equation, we derive a modified Cahn-Hilliard equation from a widely used stabilized scheme for original Cahn-Hilliard equation. This equation can be written as a continuous parabolic system, where FBSDE can be applied and the unknown solution is approximated by neural network. Also our method is successfully developed to Cahn-Hilliard-Navier-Stokes (CHNS) equation. The accuracy and stability of our methods are shown in many numerical experiments, specially in high dimension.

We develop a distributed Block Chebyshev-Davidson algorithm to solve large-scale leading eigenvalue problems for spectral analysis in spectral clustering. First, the efficiency of the Chebyshev-Davidson algorithm relies on the prior knowledge of the eigenvalue spectrum, which could be expensive to estimate. This issue can be lessened by the analytic spectrum estimation of the Laplacian or normalized Laplacian matrices in spectral clustering, making the proposed algorithm very efficient for spectral clustering. Second, to make the proposed algorithm capable of analyzing big data, a distributed and parallel version has been developed with attractive scalability. The speedup by parallel computing is approximately equivalent to $\sqrt{p}$, where $p$ denotes the number of processes. {Numerical results will be provided to demonstrate its efficiency in spectral clustering and scalability advantage over existing eigensolvers used for spectral clustering in parallel computing environments.}

The Kaczmarz algorithm is an iterative method that solves linear systems of equations. It stands out among iterative algorithms when dealing with large systems for two reasons. First, at each iteration, the Kaczmarz algorithm uses a single equation, resulting in minimal computational work per iteration. Second, solving the entire system may only require the use of a small subset of the equations. These characteristics have attracted significant attention to the Kaczmarz algorithm. Researchers have observed that randomly choosing equations can improve the convergence rate of the algorithm. This insight led to the development of the Randomized Kaczmarz algorithm and, subsequently, several other variations emerged. In this paper, we extensively analyze the native Kaczmarz algorithm and many of its variations using large-scale dense random systems as benchmarks. Through our investigation, we have verified that, for consistent systems, various row sampling schemes can outperform both the original and Randomized Kaczmarz method. Specifically, sampling without replacement and using quasirandom numbers are the fastest techniques. However, for inconsistent systems, the Conjugate Gradient method for Least-Squares problems overcomes all variations of the Kaczmarz method for these types of systems.

sEMG pattern recognition algorithms have been explored extensively in decoding movement intent, yet are known to be vulnerable to changing recording conditions, exhibiting significant drops in performance across subjects, and even across sessions. Multi-channel surface EMG, also referred to as high-density sEMG (HD-sEMG) systems, have been used to improve performance with the information collected through the use of additional electrodes. However, a lack of robustness is ever present due to limited datasets and the difficulties in addressing sources of variability, such as electrode placement. In this study, we propose training on a collection of input channel subsets and augmenting our training distribution with data from different electrode locations, simultaneously targeting electrode shift and reducing input dimensionality. Our method increases robustness against electrode shift and results in significantly higher intersession performance across subjects and classification algorithms.

Programs involving discontinuities introduced by control flow constructs such as conditional branches pose challenges to mathematical optimization methods that assume a degree of smoothness in the objective function's response surface. Smooth interpretation (SI) is a form of abstract interpretation that approximates the convolution of a program's output with a Gaussian kernel, thus smoothing its output in a principled manner. Here, we combine SI with automatic differentiation (AD) to efficiently compute gradients of smoothed programs. In contrast to AD across a regular program execution, these gradients also capture the effects of alternative control flow paths. The combination of SI with AD enables the direct gradient-based parameter synthesis for branching programs, allowing for instance the calibration of simulation models or their combination with neural network models in machine learning pipelines. We detail the effects of the approximations made for tractability in SI and propose a novel Monte Carlo estimator that avoids the underlying assumptions by estimating the smoothed programs' gradients through a combination of AD and sampling. Using DiscoGrad, our tool for automatically translating simple C++ programs to a smooth differentiable form, we perform an extensive evaluation. We compare the combination of SI with AD and our Monte Carlo estimator to existing gradient-free and stochastic methods on four non-trivial and originally discontinuous problems ranging from classical simulation-based optimization to neural network-driven control. While the optimization progress with the SI-based estimator depends on the complexity of the program's control flow, our Monte Carlo estimator is competitive in all problems, exhibiting the fastest convergence by a substantial margin in our highest-dimensional problem.

Local discontinuous Galerkin methods are developed for solving second order and fourth order time-dependent partial differential equations defined on static 2D manifolds. These schemes are second-order accurate with surfaces triangulized by planar triangles and careful design of numerical fluxes. The schemes are proven to be energy stable. Various numerical experiments are provided to validate the new schemes.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.