invariant density
Conditional Score-Based Modeling of Effective Langevin Dynamics
Stochastic reduced-order models are widely used to represent the effective dynamics of complex systems, but estimating their drift and diffusion coefficients from data remains challenging. Standard approaches often rely on short-time trajectory increments, state-space partitioning, or repeated simulation of candidate models, which become unreliable or computationally expensive for high-dimensional systems, coarse temporal sampling, or unevenly sampled data. We introduce a data-driven calibration method based on a novel relationship between the coefficients of a stochastic reduced model and the conditional score of the finite-time transition density, defined as the gradient of the logarithm of the transition density with respect to the initial state. The resulting identity expresses derivatives of lagged correlation functions as stationary expectations over observed lagged pairs involving this conditional score and the unknown model coefficients. This formulation allows the drift and diffusion structure to be constrained directly from finite-lag statistics, without differentiating trajectories, partitioning state space, or repeatedly integrating candidate reduced models during calibration, yielding a least-squares fitting problem over stationary lagged pairs. We validate the approach on analytically tractable and data-driven nonequilibrium diffusions, demonstrating that the inferred models preserve the invariant statistics while accurately reproducing finite-lag dynamical correlations. The framework provides a scalable route for learning stochastic reduced-order models from data that reproduce prescribed statistical and dynamical properties.
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First provide a summary of the paper, and then address the following criteria: Quality, clarity, originality and significance. The paper is concerned with Monte Carlo sampling based on the discretisation of SDEs. This is a particularly topical subject since there has been some interest lately in such techniques due to the fact that they allow for the use of stochastic gradients which are particularly appealing in some big data settings since they allow one to run algorithms with only partial evaluation of the likelihood/energy function. The paper is particularly well written and pedagogical. In additional it clarifies earlier contributions and provides a rigorous overview of the main results useful in this emerging area.
Data-driven rules for multidimensional reflection problems
Christensen, Sören, Thomsen, Asbjørn Holk, Trottner, Lukas
Over the recent past data-driven algorithms for solving stochastic optimal control problems in face of model uncertainty have become an increasingly active area of research. However, for singular controls and underlying diffusion dynamics the analysis has so far been restricted to the scalar case. In this paper we fill this gap by studying a multivariate singular control problem for reversible diffusions with controls of reflection type. Our contributions are threefold. We first explicitly determine the long-run average costs as a domain-dependent functional, showing that the control problem can be equivalently characterized as a shape optimization problem. For given diffusion dynamics, assuming the optimal domain to be strongly star-shaped, we then propose a gradient descent algorithm based on polytope approximations to numerically determine a cost-minimizing domain. Finally, we investigate data-driven solutions when the diffusion dynamics are unknown to the controller. Using techniques from nonparametric statistics for stochastic processes, we construct an optimal domain estimator, whose static regret is bounded by the minimax optimal estimation rate of the unreflected process' invariant density. In the most challenging situation, when the dynamics must be learned simultaneously to controlling the process, we develop an episodic learning algorithm to overcome the emerging exploration-exploitation dilemma and show that given the static regret as a baseline, the loss in its sublinear regret per time unit is of natural order compared to the one-dimensional case.
Geometric constraints improve inference of sparsely observed stochastic dynamics
The dynamics of systems of many degrees of freedom evolving on multiple scales are often modeled in terms of stochastic differential equations. Usually the structural form of these equations is unknown and the only manifestation of the system's dynamics are observations at discrete points in time. Despite their widespread use, accurately inferring these systems from sparse-in-time observations remains challenging. Conventional inference methods either focus on the temporal structure of observations, neglecting the geometry of the system's invariant density, or use geometric approximations of the invariant density, which are limited to conservative driving forces. To address these limitations, here, we introduce a novel approach that reconciles these two perspectives. We propose a path augmentation scheme that employs data-driven control to account for the geometry of the invariant system's density. Non-parametric inference on the augmented paths, enables efficient identification of the underlying deterministic forces of systems observed at low sampling rates.
Geometric path augmentation for inference of sparsely observed stochastic nonlinear systems
Stochastic evolution equations describing the dynamics of systems under the influence of both deterministic and stochastic forces are prevalent in all fields of science. Yet, identifying these systems from sparse-in-time observations remains still a challenging endeavour. Existing approaches focus either on the temporal structure of the observations by relying on conditional expectations, discarding thereby information ingrained in the geometry of the system's invariant density; or employ geometric approximations of the invariant density, which are nevertheless restricted to systems with conservative forces. Here we propose a method that reconciles these two paradigms. We introduce a new data-driven path augmentation scheme that takes the local observation geometry into account. By employing non-parametric inference on the augmented paths, we can efficiently identify the deterministic driving forces of the underlying system for systems observed at low sampling rates.
Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent
Jaini, Priyank, Holdijk, Lars, Welling, Max
We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling method based on Stein's identity for sampling from densities with symmetries. Equivariant SVGD explicitly incorporates symmetry information in a density through equivariant kernels which makes the resultant sampler efficient both in terms of sample complexity and the quality of generated samples. Subsequently, we define equivariant energy based models to model invariant densities that are learned using contrastive divergence. By utilizing our equivariant SVGD for training equivariant EBMs, we propose new ways of improving and scaling up training of energy based models. We apply these equivariant energy models for modelling joint densities in regression and classification tasks for image datasets, many-body particle systems and molecular structure generation.
Learning to reflect: A unifying approach for data-driven stochastic control strategies
Christensen, Sören, Strauch, Claudia, Trottner, Lukas
Stochastic optimal control problems have a long tradition in applied probability, with the questions addressed being of high relevance in a multitude of fields. Even though theoretical solutions are well understood in many scenarios, their practicability suffers from the assumption of known dynamics of the underlying stochastic process, raising the statistical challenge of developing purely data-driven strategies. For the mathematically separated classes of continuous diffusion processes and L\'evy processes, we show that developing efficient strategies for related singular stochastic control problems can essentially be reduced to finding rate-optimal estimators with respect to the sup-norm risk of objects associated to the invariant distribution of ergodic processes which determine the theoretical solution of the control problem. From a statistical perspective, we exploit the exponential $\beta$-mixing property as the common factor of both scenarios to drive the convergence analysis, indicating that relying on general stability properties of Markov processes is a sufficiently powerful and flexible approach to treat complex applications requiring statistical methods. We show moreover that in the L\'evy case $-$ even though per se jump processes are more difficult to handle both in statistics and control theory $-$ a fully data-driven strategy with regret of significantly better order than in the diffusion case can be constructed.
Nonparametric learning for impulse control problems
Christensen, Sören, Strauch, Claudia
One of the fundamental assumptions in stochastic control of continuous time processes is that the dynamics of the underlying (diffusion) process is known. This is, however, usually obviously not fulfilled in practice. On the other hand, over the last decades, a rich theory for nonparametric estimation of the drift (and volatility) for continuous time processes has been developed. The aim of this paper is bringing together techniques from stochastic control with methods from statistics for stochastic processes to find a way to both learn the dynamics of the underlying process and control in a reasonable way at the same time. More precisely, we study a long-term average impulse control problem, a stochastic version of the classical Faustmann timber harvesting problem. One of the problems that immediately arises is an exploration vs. exploitation-behavior as is well known for problems in machine learning. We propose a way to deal with this issue by combining exploration- and exploitation periods in a suitable way. Our main finding is that this construction can be based on the rates of convergence of estimators for the invariant density. Using this, we obtain that the average cumulated regret is of uniform order $O({T^{-1/3}})$.