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We develop a transformer-based sequence-to-sequence model that recovers scalar ordinary differential equations (ODEs) in symbolic form from irregularly sampled and noisy observations of a single solution trajectory. We demonstrate in extensive empirical evaluations that our model performs better or on par with existing methods in terms of accurate recovery across various settings. Moreover, our method is efficiently scalable: after one-time pretraining on a large set of ODEs, we can infer the governing law of a new observed solution in a few forward passes of the model.

Differential Dynamic Programming (DDP) is a popular technique used to generate motion for dynamic-legged robots in the recent past. However, in most cases, only the first-order partial derivatives of the underlying dynamics are used, resulting in the iLQR approach. Neglecting the second-order terms often slows down the convergence rate compared to full DDP. Multi-Shooting is another popular technique to improve robustness, especially if the dynamics are highly non-linear. In this work, we consider Multi-Shooting DDP for trajectory optimization of a bounding gait for a simplified quadruped model. As the main contribution, we develop Second-Order analytical partial derivatives of the rigid-body contact dynamics, extending our previous results for fixed/floating base models with multi-DoF joints. Finally, we show the benefits of a novel Quasi-Newton method for approximating second-order derivatives of the dynamics, leading to order-of-magnitude speedups in the convergence compared to the full DDP method.

We develop a methodology for modelling and simulating high-dimensional spatial precipitation extremes, using a combination of the spatial conditional extremes model, latent Gaussian models and integrated nested Laplace approximations (INLA). The spatial conditional extremes model requires data with Laplace marginal distributions, but precipitation distributions contain point masses at zero that complicate necessary standardisation procedures. We propose to model conditional extremes of nonzero precipitation only, while separately modelling precipitation occurrences. The two models are then combined to create a complete model for extreme precipitation. Nonzero precipitation marginals are modelled using a combination of latent Gaussian models with gamma and generalised Pareto likelihoods. Four different models for precipitation occurrence are investigated. New empirical diagnostics and parametric models are developed for describing components of the spatial conditional extremes model. We apply our framework to simulate spatial precipitation extremes over a water catchment in Central Norway, using high-density radar data. Inference on a 6000-dimensional data set is performed within hours, and the simulated data capture the main trends of the observed data well.

The probability prediction of multivariate time series is a notoriously challenging but practical task. On the one hand, the challenge is how to effectively capture the cross-series correlations between interacting time series, to achieve accurate distribution modeling. On the other hand, we should consider how to capture the contextual information within time series more accurately to model multivariate temporal dynamics of time series. In this work, we proposed a novel non-autoregressive deep learning model, called Multi-scale Attention Normalizing Flow(MANF), where we integrate multi-scale attention and relative position information and the multivariate data distribution is represented by the conditioned normalizing flow. Additionally, compared with autoregressive modeling methods, our model avoids the influence of cumulative error and does not increase the time complexity. Extensive experiments demonstrate that our model achieves state-of-the-art performance on many popular multivariate datasets.

We present a new category of physics-informed neural networks called physics informed variational embedding generative adversarial network (PI-VEGAN), that effectively tackles the forward, inverse, and mixed problems of stochastic differential equations. In these scenarios, the governing equations are known, but only a limited number of sensor measurements of the system parameters are available. We integrate the governing physical laws into PI-VEGAN with automatic differentiation, while introducing a variational encoder for approximating the latent variables of the actual distribution of the measurements. These latent variables are integrated into the generator to facilitate accurate learning of the characteristics of the stochastic partial equations. Our model consists of three components, namely the encoder, generator, and discriminator, each of which is updated alternatively employing the stochastic gradient descent algorithm. We evaluate the effectiveness of PI-VEGAN in addressing forward, inverse, and mixed problems that require the concurrent calculation of system parameters and solutions. Numerical results demonstrate that the proposed method achieves satisfactory stability and accuracy in comparison with the previous physics-informed generative adversarial network (PI-WGAN).

In the absence of explicit or tractable likelihoods, Bayesians often resort to approximate Bayesian computation (ABC) for inference. Our work bridges ABC with deep neural implicit samplers based on generative adversarial networks (GANs) and adversarial variational Bayes. Both ABC and GANs compare aspects of observed and fake data to simulate from posteriors and likelihoods, respectively. We develop a Bayesian GAN (B-GAN) sampler that directly targets the posterior by solving an adversarial optimization problem. B-GAN is driven by a deterministic mapping learned on the ABC reference by conditional GANs. Once the mapping has been trained, iid posterior samples are obtained by filtering noise at a negligible additional cost. We propose two post-processing local refinements using (1) data-driven proposals with importance reweighting, and (2) variational Bayes. We support our findings with frequentist-Bayesian results, showing that the typical total variation distance between the true and approximate posteriors converges to zero for certain neural network generators and discriminators. Our findings on simulated data show highly competitive performance relative to some of the most recent likelihood-free posterior simulators.

State space models (SSMs) provide a flexible framework for modeling complex time series via a latent stochastic process. Inference for nonlinear, non-Gaussian SSMs is often tackled with particle methods that do not scale well to long time series. The challenge is two-fold: not only do computations scale linearly with time, as in the linear case, but particle filters additionally suffer from increasing particle degeneracy with longer series. Stochastic gradient MCMC methods have been developed to scale Bayesian inference for finite-state hidden Markov models and linear SSMs using buffered stochastic gradient estimates to account for temporal dependencies. We extend these stochastic gradient estimators to nonlinear SSMs using particle methods. We present error bounds that account for both buffering error and particle error in the case of nonlinear SSMs that are log-concave in the latent process. We evaluate our proposed particle buffered stochastic gradient using stochastic gradient MCMC for inference on both long sequential synthetic and minute-resolution financial returns data, demonstrating the importance of this class of methods.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.