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One of the pivotal tasks in scientific machine learning is to represent underlying dynamical systems from time series data. Many methods for such dynamics learning explicitly require the derivatives of state data, which are not directly available and can be approximated conventionally by finite differences. However, the discrete approximations of time derivatives may result in poor estimations when state data are scarce and/or corrupted by noise, thus compromising the predictiveness of the learned dynamical models. To overcome this technical hurdle, we propose a new method that learns nonlinear dynamics through a Bayesian inference of characterizing model parameters. This method leverages a Gaussian process representation of states, and constructs a likelihood function using the correlation between state data and their derivatives, yet prevents explicit evaluations of time derivatives. Through a Bayesian scheme, a probabilistic estimate of the model parameters is given by the posterior distribution, and thus a quantification is facilitated for uncertainties from noisy state data and the learning process. Specifically, we will discuss the applicability of the proposed method to several typical scenarios for dynamical systems: identification and estimation with an affine parametrization, nonlinear parametric approximation without prior knowledge, and general parameter estimation for a given dynamical system.

Identifying replicable signals across different studies provides stronger scientific evidence and more powerful inference. Existing literature on high dimensional applicability analysis either imposes strong modeling assumptions or has low power. We develop a powerful and robust empirical Bayes approach for high dimensional replicability analysis. Our method effectively borrows information from different features and studies while accounting for heterogeneity. We show that the proposed method has better power than competing methods while controlling the false discovery rate, both empirically and theoretically. Analyzing datasets from the genome-wide association studies reveals new biological insights that otherwise cannot be obtained by using existing methods.

The accuracy of the underlying model predictions is crucial for the success of model predictive control (MPC) applications. If the model is unable to accurately analyze the dynamics of the controlled system, the performance and stability guarantees provided by MPC may not be achieved. Learning-based MPC can learn models from data, improving the applicability and reliability of MPC. This study develops a nonlinear sparse variational Bayesian learning based MPC (NSVB-MPC) for nonlinear systems, where the model is learned by the developed NSVB method. Variational inference is used by NSVB-MPC to assess the predictive accuracy and make the necessary corrections to quantify system uncertainty. The suggested approach ensures input-to-state (ISS) and the feasibility of recursive constraints in accordance with the concept of an invariant terminal region. Finally, a PEMFC temperature control model experiment confirms the effectiveness of the NSVB-MPC method.

We present a subspace method based on neural networks (SNN) for solving the partial differential equation with high accuracy. The basic idea of our method is to use some functions based on neural networks as base functions to span a subspace, then find an approximate solution in this subspace. We design two special algorithms in the strong form of partial differential equation. One algorithm enforces the equation and initial boundary conditions to hold on some collocation points, and another algorithm enforces $L^2$-norm of the residual of the equation and initial boundary conditions to be $0$. Our method can achieve high accuracy with low cost of training. Moreover, our method is free of parameters that need to be artificially adjusted. Numerical examples show that the cost of training these base functions of subspace is low, and only one hundred to two thousand epochs are needed for most tests. The error of our method can even fall below the level of $10^{-10}$ for some tests. The performance of our method significantly surpasses the performance of PINN and DGM in terms of the accuracy and computational cost.

We propose a multivariate extension of the Lorenz curve based on multivariate rearrangements of optimal transport theory. We define a vector Lorenz map as the integral of the vector quantile map associated with a multivariate resource allocation. Each component of the Lorenz map is the cumulative share of each resource, as in the traditional univariate case. The pointwise ordering of such Lorenz maps defines a new multivariate majorization order, which is equivalent to preference by any social planner with inequality averse multivariate rank dependent social evaluation functional. We define a family of multi-attribute Gini index and complete ordering based on the Lorenz map. We propose the level sets of an Inverse Lorenz Function as a practical tool to visualize and compare inequality in two dimensions, and apply it to income-wealth inequality in the United States between 1989 and 2022.

In recent years, deep reinforcement learning has emerged as a technique to solve closed-loop flow control problems. Employing simulation-based environments in reinforcement learning enables a priori end-to-end optimization of the control system, provides a virtual testbed for safety-critical control applications, and allows to gain a deep understanding of the control mechanisms. While reinforcement learning has been applied successfully in a number of rather simple flow control benchmarks, a major bottleneck toward real-world applications is the high computational cost and turnaround time of flow simulations. In this contribution, we demonstrate the benefits of model-based reinforcement learning for flow control applications. Specifically, we optimize the policy by alternating between trajectories sampled from flow simulations and trajectories sampled from an ensemble of environment models. The model-based learning reduces the overall training time by up to $85\%$ for the fluidic pinball test case. Even larger savings are expected for more demanding flow simulations.

In federated learning, data heterogeneity is a critical challenge. A straightforward solution is to shuffle the clients' data to homogenize the distribution. However, this may violate data access rights, and how and when shuffling can accelerate the convergence of a federated optimization algorithm is not theoretically well understood. In this paper, we establish a precise and quantifiable correspondence between data heterogeneity and parameters in the convergence rate when a fraction of data is shuffled across clients. We prove that shuffling can quadratically reduce the gradient dissimilarity with respect to the shuffling percentage, accelerating convergence. Inspired by the theory, we propose a practical approach that addresses the data access rights issue by shuffling locally generated synthetic data. The experimental results show that shuffling synthetic data improves the performance of multiple existing federated learning algorithms by a large margin.

Dimension reduction techniques are among the most essential analytical tools in the analysis of high-dimensional data. Generalized principal component analysis (PCA) is an extension to standard PCA that has been widely used to identify low-dimensional features in high-dimensional discrete data, such as binary, multi-category and count data. For microbiome count data in particular, the multinomial PCA is a natural counterpart of the standard PCA. However, this technique fails to account for the excessive number of zero values, which is frequently observed in microbiome count data. To allow for sparsity, zero-inflated multivariate distributions can be used. We propose a zero-inflated probabilistic PCA model for latent factor analysis. The proposed model is a fully Bayesian factor analysis technique that is appropriate for microbiome count data analysis. In addition, we use the mean-field-type variational family to approximate the marginal likelihood and develop a classification variational approximation algorithm to fit the model. We demonstrate the efficiency of our procedure for predictions based on the latent factors and the model parameters through simulation experiments, showcasing its superiority over competing methods. This efficiency is further illustrated with two real microbiome count datasets. The method is implemented in R.

At large scales, quantum systems may become advantageous over their classical counterparts at performing certain tasks. Developing tools to analyse these systems at the relevant scales, in a manner consistent with quantum mechanics, is therefore critical to benchmarking performance and characterising their operation. While classical computational approaches cannot perform like-for-like computations of quantum systems beyond a certain scale, classical high-performance computing (HPC) may nevertheless be useful for precisely these characterisation and certification tasks. By developing open-source customised algorithms using high-performance computing, we perform quantum tomography on a megascale quantum photonic detector covering a Hilbert space of $10^6$. This requires finding $10^8$ elements of the matrix corresponding to the positive operator valued measure (POVM), the quantum description of the detector, and is achieved in minutes of computation time. Moreover, by exploiting the structure of the problem, we achieve highly efficient parallel scaling, paving the way for quantum objects up to a system size of $10^{12}$ elements to be reconstructed using this method. In general, this shows that a consistent quantum mechanical description of quantum phenomena is applicable at everyday scales. More concretely, this enables the reconstruction of large-scale quantum sources, processes and detectors used in computation and sampling tasks, which may be necessary to prove their nonclassical character or quantum computational advantage.

In large-scale systems there are fundamental challenges when centralised techniques are used for task allocation. The number of interactions is limited by resource constraints such as on computation, storage, and network communication. We can increase scalability by implementing the system as a distributed task-allocation system, sharing tasks across many agents. However, this also increases the resource cost of communications and synchronisation, and is difficult to scale. In this paper we present four algorithms to solve these problems. The combination of these algorithms enable each agent to improve their task allocation strategy through reinforcement learning, while changing how much they explore the system in response to how optimal they believe their current strategy is, given their past experience. We focus on distributed agent systems where the agents' behaviours are constrained by resource usage limits, limiting agents to local rather than system-wide knowledge. We evaluate these algorithms in a simulated environment where agents are given a task composed of multiple subtasks that must be allocated to other agents with differing capabilities, to then carry out those tasks. We also simulate real-life system effects such as networking instability. Our solution is shown to solve the task allocation problem to 6.7% of the theoretical optimal within the system configurations considered. It provides 5x better performance recovery over no-knowledge retention approaches when system connectivity is impacted, and is tested against systems up to 100 agents with less than a 9% impact on the algorithms' performance.