Heng, Jeremy
Computational Doob's h-transforms for Online Filtering of Discretely Observed Diffusions
Chopin, Nicolas, Fulop, Andras, Heng, Jeremy, Thiery, Alexandre H.
This paper is concerned with online filtering of discretely observed nonlinear diffusion processes. Our approach is based on the fully adapted auxiliary particle filter, which involves Doob's $h$-transforms that are typically intractable. We propose a computational framework to approximate these $h$-transforms by solving the underlying backward Kolmogorov equations using nonlinear Feynman-Kac formulas and neural networks. The methodology allows one to train a locally optimal particle filter prior to the data-assimilation procedure. Numerical experiments illustrate that the proposed approach can be orders of magnitude more efficient than state-of-the-art particle filters in the regime of highly informative observations, when the observations are extreme under the model, or if the state dimension is large.
Simulating Diffusion Bridges with Score Matching
De Bortoli, Valentin, Doucet, Arnaud, Heng, Jeremy, Thornton, James
We consider the problem of simulating diffusion bridges, i.e. diffusion processes that are conditioned to initialize and terminate at two given states. Diffusion bridge simulation has applications in diverse scientific fields and plays a crucial role for statistical inference of discretely-observed diffusions. This is known to be a challenging problem that has received much attention in the last two decades. In this work, we first show that the time-reversed diffusion bridge process can be simulated if one can time-reverse the unconditioned diffusion process. We introduce a variational formulation to learn this time-reversal that relies on a score matching method to circumvent intractability. We then consider another iteration of our proposed methodology to approximate the Doob's $h$-transform defining the diffusion bridge process. As our approach is generally applicable under mild assumptions on the underlying diffusion process, it can easily be used to improve the proposal bridge process within existing methods and frameworks. We discuss algorithmic considerations and extensions, and present some numerical results.
Diffusion Schr\"odinger Bridge with Applications to Score-Based Generative Modeling
De Bortoli, Valentin, Thornton, James, Heng, Jeremy, Doucet, Arnaud
Progressively applying Gaussian noise transforms complex data distributions to approximately Gaussian. Reversing this dynamic defines a generative model. When the forward noising process is given by a Stochastic Differential Equation (SDE), Song et al. (2021) demonstrate how the time inhomogeneous drift of the associated reverse-time SDE may be estimated using score-matching. A limitation of this approach is that the forward-time SDE must be run for a sufficiently long time for the final distribution to be approximately Gaussian. In contrast, solving the Schr\"odinger Bridge problem (SB), i.e. an entropy-regularized optimal transport problem on path spaces, yields diffusions which generate samples from the data distribution in finite time. We present Diffusion SB (DSB), an original approximation of the Iterative Proportional Fitting (IPF) procedure to solve the SB problem, and provide theoretical analysis along with generative modeling experiments. The first DSB iteration recovers the methodology proposed by Song et al. (2021), with the flexibility of using shorter time intervals, as subsequent DSB iterations reduce the discrepancy between the final-time marginal of the forward (resp. backward) SDE with respect to the prior (resp. data) distribution. Beyond generative modeling, DSB offers a widely applicable computational optimal transport tool as the continuous state-space analogue of the popular Sinkhorn algorithm (Cuturi, 2013).
Schr\"odinger Bridge Samplers
Bernton, Espen, Heng, Jeremy, Doucet, Arnaud, Jacob, Pierre E.
Consider a reference Markov process with initial distribution $\pi_{0}$ and transition kernels $\{M_{t}\}_{t\in[1:T]}$, for some $T\in\mathbb{N}$. Assume that you are given distribution $\pi_{T}$, which is not equal to the marginal distribution of the reference process at time $T$. In this scenario, Schr\"odinger addressed the problem of identifying the Markov process with initial distribution $\pi_{0}$ and terminal distribution equal to $\pi_{T}$ which is the closest to the reference process in terms of Kullback--Leibler divergence. This special case of the so-called Schr\"odinger bridge problem can be solved using iterative proportional fitting, also known as the Sinkhorn algorithm. We leverage these ideas to develop novel Monte Carlo schemes, termed Schr\"odinger bridge samplers, to approximate a target distribution $\pi$ on $\mathbb{R}^{d}$ and to estimate its normalizing constant. This is achieved by iteratively modifying the transition kernels of the reference Markov chain to obtain a process whose marginal distribution at time $T$ becomes closer to $\pi_T = \pi$, via regression-based approximations of the corresponding iterative proportional fitting recursion. We report preliminary experiments and make connections with other problems arising in the optimal transport, optimal control and physics literatures.
Clustering Time Series with Nonlinear Dynamics: A Bayesian Non-Parametric and Particle-Based Approach
Lin, Alexander, Zhang, Yingzhuo, Heng, Jeremy, Allsop, Stephen A., Tye, Kay M., Jacob, Pierre E., Ba, Demba
In a data set comprising hundreds to thousands of neuronal time series (Brown et al., 2004), the ability to automatically identify subgroups of time series that respond similarly to an exogenous stimulus or contingency can provide insights into how neural computation is implemented at the level of groups of neurons. We consider the problem of clustering multiple time series that exhibit nonlinear dynamics into an a-priori-unknown number of subgroups. Existing model-based approaches for clustering multiple time series rely on a generative model of the time series that is a mixture of linear-Gaussian state-space models, and can be further classified according to whether the number of mixture components is assumed to be known a priori, and according to the choice of inference procedure (MCMC or variational Bayes) (Inoue et al., 2006; Chiappa and Barber, 2007; Nieto-Barajas et al., 2014; Middleton, 2014; Saad and Mansinghka, 2018). In all cases, the linear-Gaussian assumption is crucial: it enables exact evaluation of the likelihood using a Kalman filter and the ability to sample exactly from the state sequences underlying each of the time series. For nonlinear and/or non-Gaussian state-space models, this likelihood cannot be evaluated in closed form and exact sampling is not possible.