Arnab Ganguly

Yu Wang, Arnab Ganguly

Stochastic differential equations (SDEs) provide a flexible framework for modeling temporal dynamics in partially observed systems. A central task is to calibrate such models from data, which requires inferring latent trajectories and parameters from sparse, noisy observations. Classical smoothing methods for this problem are often limited by path degeneracy and poor scalability. In this work, we developed a novel method based on characterization of the posterior SDE in terms of conditional backward-in-time score defined as the gradient of a function solving a Kolmogorov backward equation with multiplicative updates at observation times. We learn this conditional score using neural networks trained to satisfy both the governing PDE and the observation-induced jump conditions, thereby integrating continuous-time dynamics with discrete Bayesian updates. The resulting score induces a posterior SDE with the same diffusion coefficient but a modified drift, enabling efficient posterior trajectory sampling. We further derive a likelihood-based objective for learning the SDE parameters, yielding an evidence lower bound (ELBO) for joint state smoothing and parameter estimation. This leads to a variational EM-style procedure, where the neural conditional score is optimized to approximate the smoothing distribution, followed by a maximization step over the SDE parameters using samples from the induced posterior. Experiments on nonlinear systems demonstrate accurate and stable inference with a very few observations demonstrating significant improved scalability compared to classical MCMC methods.

Arnab Ganguly, Riten Mitra, Jinpu Zhou

The paper has two major themes. The first part of the paper establishes certain general results for infinite-dimensional optimization problems on Hilbert spaces. These results cover the classical representer theorem and many of its variants as special cases and offer a wider scope of applications. The second part of the paper then develops a systematic approach for learning the drift function of a stochastic differential equation by integrating the results of the first part with Bayesian hierarchical framework. Importantly, our Baysian approach incorporates low-cost sparse learning through proper use of shrinkage priors while allowing proper quantification of uncertainty through posterior distributions. Several examples at the end illustrate the accuracy of our learning scheme.

Anan Saha, Arnab Ganguly

Many systems in physics, engineering, and biology exhibit multiscale stochastic dynamics, where low-dimensional slow variables evolve under the influence of high-dimensional fast processes. In practice, observations are often limited to a single trajectory of the slow component, while the fast dynamics remain unobserved, making statistical learning challenging. Approaches based on partial differential equations (PDE), such as Fokker-Planck formulations, aim to characterize the evolution of probability densities, typically requiring dense space-time data or grid-based solvers. In contrast, we adopt a trajectory-based perspective and develop a data-driven framework for learning effective stochastic dynamics from a single observed path. We model the dynamics by coupled multiscale stochastic differential equations (SDEs) and first obtain a principled model reduction through stochastic averaging. Unlike generic model reduction techniques such as PCA, this respects the dynamical structure of the original system and explicitly incorporates the interaction between slow and fast scales. A central challenge, however, is that the reduced model depends on the invariant distribution of the fast process, which is a solution to an intractable and often unknown PDE. We introduce a novel learning framework that parameterizes the invariant distribution using normalizing flows, enabling expressive density modeling in the latent fast-variable space. The flow is trained end-to-end by optimizing a penalized likelihood objective induced by the reduced stochastic dynamics. Furthermore, we develop a Bayesian variational inference procedure for uncertainty quantification, employing a second normalizing flow to approximate the posterior distribution over model parameters. This yields a scalable approach to capturing epistemic uncertainty in multiscale systems.

Arnab Ganguly, Riten Mitra, Jinpu Zhou

The paper proposes a systematic framework for building data-driven stochastic differential equation (SDE) models from sparse, noisy observations. Unlike traditional parametric approaches, which assume a known functional form for the drift, our goal here is to learn the entire drift function directly from data without strong structural assumptions, making it especially relevant in scientific disciplines where system dynamics are partially understood or highly complex. We cast the estimation problem as minimization of the penalized negative log-likelihood functional over a reproducing kernel Hilbert space (RKHS). In the sparse observation regime, the presence of unobserved trajectory segments makes the SDE likelihood intractable. To address this, we develop an Expectation-Maximization (EM) algorithm that employs a novel Sequential Monte Carlo (SMC) method to approximate the filtering distribution and generate Monte Carlo estimates of the E-step objective. The M-step then reduces to a penalized empirical risk minimization problem in the RKHS, whose minimizer is given by a finite linear combination of kernel functions via a generalized representer theorem. To control model complexity across EM iterations, we also develop a hybrid Bayesian variant of the algorithm that uses shrinkage priors to identify significant coefficients in the kernel expansion. We establish important theoretical convergence results for both the exact and approximate EM sequences. The resulting EM-SMC-RKHS procedure enables accurate estimation of the drift function of stochastic dynamical systems in low-data regimes and is broadly applicable across domains requiring continuous-time modeling under observational constraints. We demonstrate the effectiveness of our method through a series of numerical experiments.

Supratik Mukhopadhyay, Qun Liu, Edward Collier et al.

Recently, it has been widely accepted by the research community that interactions between humans and cyber-physical infrastructures have played a significant role in determining the performance of the latter. The existing paradigm for designing cyber-physical systems for optimal performance focuses on developing models based on historical data. The impacts of context factors driving human system interaction are challenging and are difficult to capture and replicate in existing design models. As a result, many existing models do not or only partially address those context factors of a new design owing to the lack of capabilities to capture the context factors. This limitation in many existing models often causes performance gaps between predicted and measured results. We envision a new design environment, a cyber-physical human system (CPHS) where decision-making processes for physical infrastructures under design are intelligently connected to distributed resources over cyberinfrastructure such as experiments on design features and empirical evidence from operations of existing instances. The framework combines existing design models with context-aware design-specific data involving human-infrastructure interactions in new designs, using a machine learning approach to create augmented design models with improved predictive powers.

Tobias Sutter, Arnab Ganguly, Heinz Koeppl

We consider a hidden Markov model, where the signal process, given by a diffusion, is only indirectly observed through some noisy measurements. The article develops a variational method for approximating the hidden states of the signal process given the full set of observations. This, in particular, leads to systematic approximations of the smoothing densities of the signal process. The paper then demonstrates how an efficient inference scheme, based on this variational approach to the approximation of the hidden states, can be designed to estimate the unknown parameters of stochastic differential equations. Two examples at the end illustrate the efficacy and the accuracy of the presented method.

David F. Anderson, Arnab Ganguly, Thomas G. Kurtz

We perform an error analysis for numerical approximation methods of continuous time Markov chain models commonly found in the chemistry and biochemistry literature. The motivation for the analysis is to be able to compare the accuracy of different approximation methods and, specifically, Euler tau-leaping and midpoint tau-leaping. We perform our analysis under a scaling in which the size of the time discretization is inversely proportional to some (bounded) power of the norm of the state of the system. We argue that this is a more appropriate scaling than that found in previous error analyses in which the size of the time discretization goes to zero independent of the rest of the model. Under the present scaling, we show that midpoint tau-leaping achieves a higher order of accuracy, in both a weak and a strong sense, than Euler tau-leaping; a result that is in contrast to previous analyses. We present examples that demonstrate our findings.