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Nikolas Kantas

Publications and source records attributed to Nikolas Kantas.

At least 19 recordsLinked to original sources

Recursive Maximum Likelihood Estimation for Interacting Particle Systems using Virtual Particles

We study recursive maximum likelihood estimation for stochastic interacting particle systems based on continuous observation of a single particle. In this regime, consistent estimation of the finite-particle log-likelihood is not possible, even in the limit as the number of particles $N\rightarrow\infty$ and the time horizon $t\rightarrow\infty$. We thus seek to optimise the stationary log-likelihood of the limiting mean-field system. We achieve this via a form of stochastic gradient estimate in continuous time, with stochastic gradient estimates computed using the continuous trajectory of the single observed particle, alongside a virtual interacting particle system and a virtual tangent interacting particle system, which are integrated with the online parameter estimate. For fixed numbers of real and virtual particles, we show that the resulting algorithms drive the gradient of a finite-particle surrogate objective to zero as $t\to\infty$. We then prove that, in the iterated limit $t\to\infty$ followed by $N,M\to\infty$, these surrogate gradients converge uniformly to the gradient of the stationary log-likelihood of the limiting mean-field system, yielding convergence to its stationary points. We illustrate the method on several numerical examples, including a model with quadratic confinement and interaction potentials, a model of interacting FitzHugh--Nagumo neurons, and a stochastic Kuramoto model.

stat.ME

Efficient Online Learning in Interacting Particle Systems

We introduce a new method for online parameter estimation in stochastic interacting particle systems, based on continuous observation of a small number of particles from the system. Our method recursively updates the model parameters using a stochastic approximation of the gradient of the asymptotic log likelihood, which is computed using the continuous stream of observations. Under suitable assumptions, we rigorously establish convergence of our method to the stationary points of the asymptotic log-likelihood of the interacting particle system. We consider asymptotics both in the limit as the time horizon $t\rightarrow\infty$, for a fixed and finite number of particles, and in the joint limit as the number of particles $N\rightarrow\infty$ and the time horizon $t\rightarrow\infty$. Under additional assumptions on the asymptotic log-likelihood, we also establish an $\mathrm{L}^2$ convergence rate and a central limit theorem. Finally, we present several numerical examples of practical interest, including a model for systemic risk, a model of interacting FitzHugh--Nagumo neurons, and a Cucker--Smale flocking model. Our numerical results corroborate our theoretical results, and also suggest that our estimator is effective even in cases where the assumptions required for our theoretical analysis do not hold.

math.ST

Smoothness and other hyperparameter estimation for inverse problems related to data assimilation

We consider Bayesian inverse problems arising in data assimilation for dynamical systems governed by partial and stochastic partial differential equations. The space-time dependent field is inferred jointly with static parameters of the prior and likelihood densities. Particular emphasis is placed on the hyperparameter controlling the prior smoothness and regularity, which is critical in ensuring well-posedness, shaping posterior structure, and determining predictive uncertainty. Commonly it is assumed to be known and fixed a priori; however in this paper we will adopt a hierarchical Bayesian framework in which smoothness and other hyperparameters are treated as unknown and assigned hyperpriors. Posterior inference is performed using Metropolis-within-Gibbs sampling suitable to high dimensions, for which hyperparameter estimation involves little computational overhead. The methodology is demonstrated on inverse problems for the Navier-Stokes equations and the stochastic advection-diffusion equation, under sparse and dense observation regimes, using Gaussian priors with different covariance structure. Numerical results show that jointly estimating the smoothness substantially reduces the errors in uncertainty quantification and parameter estimation induced by smoothness misspecification, by achieving performance comparable to scenarios in which the true smoothness is known.

stat.CO

Drift Estimation for Stochastic Differential Equations with Denoising Diffusion Models

We study the estimation of time-homogeneous drift functions in multivariate stochastic differential equations with known diffusion coefficient, from multiple trajectories observed at high frequency over a fixed time horizon. We formulate drift estimation as a denoising problem conditional on previous observations, and propose an estimator of the drift function which is a by-product of training a conditional diffusion model capable of simulating new trajectories dynamically. Across different drift classes, the proposed estimator was found to match classical methods in low dimensions and remained consistently competitive in higher dimensions, with gains that cannot be attributed to architectural design choices alone.

stat.ML

Particle Filtering for a Class of State-Space Models with Low and Degenerate Observational Noise

We consider the discrete-time filtering problem in scenarios where the observation noise is low or degenerate. We focus on the case where the observation equation is a linear function of the state and the data involve additive noise. However, we place minimal assumptions on the hidden state process. For such a class of models we derive new particle filters (PFs) with the key property that their performance is robust to the size of the observation noise. As a consequence, the developed PFs are well-defined in the limiting case of degenerate observation noise. Indicatively, we prove (under assumptions) that the PF applied in this low noise setting inherits the properties of the PF used in the degenerate case. We extend our framework to the case where the hidden states are drawn from a diffusion process. In this scenario we develop new PFs which are robust to both low noise and fine levels of time discretization. We illustrate our algorithms numerically on several examples.

stat.CO

Sequential Markov Chain Monte Carlo for Filtering of State-Space Models with Low or Degenerate Observation Noise

We consider the discrete-time filtering problem in scenarios where the observation noise is degenerate or low. More precisely, one is given access to a discrete time observation sequence which at any time $k$ depends only on the state of an unobserved Markov chain. We specifically assume that the functional relationship between observations and hidden Markov chain has either degenerate or low noise. In this article, under suitable assumptions, we derive the filtering density and its recursions for this class of problems on a specific sequence of manifolds defined through the observation function. We then design sequential Markov chain Monte Carlo methods to approximate the filter serially in time. For a certain linear observation model, we show that using sequential Markov chain Monte Carlo for low noise will converge as the noise disappears to that of using sequential Markov chain Monte Carlo for degenerate noise. We illustrate the performance of our methodology on several challenging stochastic models arising in statistics and applied mathematics.

stat.CO

Mixing Time Bounds for the Gibbs Sampler under Isoperimetry

We establish bounds on the conductance for the systematic-scan and random-scan Gibbs samplers when the target distribution satisfies a Poincar\'e or log-Sobolev inequality and possesses sufficiently regular conditional distributions. These bounds lead to mixing time guarantees that extend beyond the log-concave setting, offering new insights into the convergence behavior of Gibbs sampling in broader regimes. Moreover, we demonstrate that our results remain valid for log-Lipschitz and log-smooth target distributions. Our approach relies on novel isoperimetric inequalities and a sequential coupling argument for the Gibbs sampler.

math.ST

Fast and robust consensus-based optimization via optimal feedback control

We propose a variant of consensus-based optimization (CBO) algorithms, controlled-CBO, which introduces a feedback control term to improve convergence towards global minimizers of non-convex functions in multiple dimensions. The feedback law is a gradient of a numerical approximation to the Hamilton-Jacobi-Bellman (HJB) equation, which serves as a proxy of the original objective function. Thus, the associated control signal furnishes gradient-like information to facilitate the identification of the global minimum without requiring derivative computation from the objective function itself. The proposed method exhibits significantly improved performance over standard CBO methods in numerical experiments, particularly in scenarios involving a limited number of particles, or where the initial particle ensemble is not well positioned with respect to the global minimum. At the same time, the modification keeps the algorithm amenable to theoretical analysis in the mean-field sense. The superior convergence rates are assessed experimentally.

math.OC

Scalarisation-based risk concepts for robust multi-objective optimisation

Robust optimisation is a well-established framework for optimising functions in the presence of uncertainty. The inherent goal of this problem is to identify a collection of inputs whose outputs are both desirable for the decision maker, whilst also being robust to the underlying uncertainties in the problem. In this work, we study the multi-objective case of this problem. We identify that the majority of all robust multi-objective algorithms rely on two key operations: robustification and scalarisation. Robustification refers to the strategy that is used to account for the uncertainty in the problem. Scalarisation refers to the procedure that is used to encode the relative importance of each objective to a scalar-valued reward. As these operations are not necessarily commutative, the order that they are performed in has an impact on the resulting solutions that are identified and the final decisions that are made. The purpose of this work is to give a thorough exposition on the effects of these different orderings and in particular highlight when one should opt for one ordering over the other. As part of our analysis, we showcase how many existing risk concepts can be integrated into the specification and solution of a robust multi-objective optimisation problem. Besides this, we also demonstrate how one can principally define the notion of a robust Pareto front and a robust performance metric based on our ``robustify and scalarise'' methodology. To illustrate the efficacy of these new ideas, we present two insightful case studies which are based on real-world data sets.

math.OC

Random Pareto front surfaces

The goal of multi-objective optimisation is to identify the Pareto front surface which is the set obtained by connecting the best trade-off points. Typically this surface is computed by evaluating the objectives at different points and then interpolating between the subset of the best evaluated trade-off points. In this work, we propose to parameterise the Pareto front surface using polar coordinates. More precisely, we show that any Pareto front surface can be equivalently represented using a scalar-valued length function which returns the projected length along any positive radial direction. We then use this representation in order to rigorously develop the theory and applications of stochastic Pareto front surfaces. In particular, we derive many Pareto front surface statistics of interest such as the expectation, covariance and quantiles. We then discuss how these can be used in practice within a design of experiments setting, where the goal is to both infer and use the Pareto front surface distribution in order to make effective decisions. Our framework allows for clear uncertainty quantification and we also develop advanced visualisation techniques for this purpose. Finally we discuss the applicability of our ideas within multivariate extreme value theory and illustrate our methodology in a variety of numerical examples, including a case study with a real-world air pollution data set.

stat.ML

Curvature Aligned Simplex Gradient: Principled Sample Set Construction For Numerical Differentiation

The simplex gradient, a popular numerical differentiation method due to its flexibility, lacks a principled method by which to construct the sample set, specifically the location of function evaluations. Such evaluations, especially from real-world systems, are often noisy and expensive to obtain, making it essential that each evaluation is carefully chosen to reduce cost and increase accuracy. This paper introduces the curvature aligned simplex gradient (CASG), which provably selects the optimal sample set under a mean squared error objective. As CASG requires function-dependent information often not available in practice, we additionally introduce a framework which exploits a history of function evaluations often present in practical applications. Our numerical results, focusing on applications in sensitivity analysis and derivative free optimization, show that our methodology significantly outperforms or matches the performance of the benchmark gradient estimator given by forward differences (FD) which is given exact function-dependent information that is not available in practice. Furthermore, our methodology is comparable to the performance of central differences (CD) that requires twice the number of function evaluations.

math.NA

Multi-objective optimisation via the R2 utilities

The goal of multi-objective optimisation is to identify a collection of points which describe the best possible trade-offs between the multiple objectives. In order to solve this vector-valued optimisation problem, practitioners often appeal to the use of scalarisation functions in order to transform the multi-objective problem into a collection of single-objective problems. This set of scalarised problems can then be solved using traditional single-objective optimisation techniques. In this work, we formalise this convention into a general mathematical framework. We show how this strategy effectively recasts the original multi-objective optimisation problem into a single-objective optimisation problem defined over sets. An appropriate class of objective functions for this new problem are the R2 utilities, which are utility functions that are defined as a weighted integral over the scalarised optimisation problems. As part of our work, we show that these utilities are monotone and submodular set functions which can be optimised effectively using greedy optimisation algorithms. We then analyse the performance of these greedy algorithms both theoretically and empirically. Our analysis largely focusses on Bayesian optimisation, which is a popular probabilistic framework for black-box optimisation.

math.OC

Sequential Markov Chain Monte Carlo for Lagrangian Data Assimilation with Applications to Unknown Data Locations

We consider a class of high-dimensional spatial filtering problems, where the spatial locations of observations are unknown and driven by the partially observed hidden signal. This problem is exceptionally challenging as not only is high-dimensional, but the model for the signal yields longer-range time dependencies through the observation locations. Motivated by this model we revisit a lesser-known and \emph{provably convergent} computational methodology from \cite{berzuini, cent, martin} that uses sequential Markov Chain Monte Carlo (MCMC) chains. We extend this methodology for data filtering problems with unknown observation locations. We benchmark our algorithms on Linear Gaussian state space models against competing ensemble methods and demonstrate a significant improvement in both execution speed and accuracy. Finally, we implement a realistic case study on a high-dimensional rotating shallow water model (of about $10^4-10^5$ dimensions) with real and synthetic data. The data is provided by the National Oceanic and Atmospheric Administration (NOAA) and contains observations from ocean drifters in a domain of the Atlantic Ocean restricted to the longitude and latitude intervals $[-51^{\circ}, -41^{\circ}]$, $[17^{\circ}, 27^{\circ}]$ respectively.

stat.ME

Privacy Risk for anisotropic Langevin dynamics using relative entropy bounds

The privacy preserving properties of Langevin dynamics with additive isotropic noise have been extensively studied. However, the isotropic noise assumption is very restrictive: (a) when adding noise to existing learning algorithms to preserve privacy and maintain the best possible accuracy one should take into account the relative magnitude of the outputs and their correlations; (b) popular algorithms such as stochastic gradient descent (and their continuous time limits) appear to possess anisotropic covariance properties. To study the privacy risks for the anisotropic noise case, one requires general results on the relative entropy between the laws of two Stochastic Differential Equations with different drifts and diffusion coefficients. Our main contribution is to establish such a bound using stability estimates for solutions to the Fokker-Planck equations via functional inequalities. With additional assumptions, the relative entropy bound implies an $(\epsilon,\delta)$-differential privacy bound or translates to bounds on the membership inference attack success and we show how anisotropic noise can lead to better privacy-accuracy trade-offs. Finally, the benefits of anisotropic noise are illustrated using numerical results in quadratic loss and neural network setups.

cs.LG

Parameter Estimation for the McKean-Vlasov Stochastic Differential Equation

We consider the problem of parameter estimation for a stochastic McKean-Vlasov equation, and the associated system of weakly interacting particles. We study two cases: one in which we observe multiple independent trajectories of the McKean-Vlasov SDE, and another in which we observe multiple particles from the interacting particle system. In each case, we begin by establishing consistency and asymptotic normality of the (approximate) offline maximum likelihood estimator, in the limit as the number of observations $N\rightarrow\infty$. We then propose an online maximum likelihood estimator, which is based on a continuous-time stochastic gradient ascent scheme with respect to the asymptotic log-likelihood of the interacting particle system. We characterise the asymptotic behaviour of this estimator in the limit as $t\rightarrow\infty$, and also in the joint limit as $t\rightarrow\infty$ and $N\rightarrow\infty$. In these two cases, we obtain a.s. or $\mathbb{L}_1$ convergence to the stationary points of a limiting contrast function, under suitable conditions which guarantee ergodicity and uniform-in-time propagation of chaos. We also establish, under the additional condition of global strong concavity, $\mathbb{L}_2$ convergence to the unique maximiser of the asymptotic log-likelihood of the McKean-Vlasov SDE, with an asymptotic convergence rate which depends on the learning rate, the number of observations, and the dimension of the non-linear process. Our theoretical results are supported by two numerical examples, a linear mean field model and a stochastic opinion dynamics model.

math.ST

Joint Entropy Search for Multi-objective Bayesian Optimization

Many real-world problems can be phrased as a multi-objective optimization problem, where the goal is to identify the best set of compromises between the competing objectives. Multi-objective Bayesian optimization (BO) is a sample efficient strategy that can be deployed to solve these vector-valued optimization problems where access is limited to a number of noisy objective function evaluations. In this paper, we propose a novel information-theoretic acquisition function for BO called Joint Entropy Search (JES), which considers the joint information gain for the optimal set of inputs and outputs. We present several analytical approximations to the JES acquisition function and also introduce an extension to the batch setting. We showcase the effectiveness of this new approach on a range of synthetic and real-world problems in terms of the hypervolume and its weighted variants.

cs.LG

Unbiased Estimation using a Class of Diffusion Processes

We study the problem of unbiased estimation of expectations with respect to (w.r.t.) $π$ a given, general probability measure on $(\mathbb{R}^d,\mathcal{B}(\mathbb{R}^d))$ that is absolutely continuous with respect to a standard Gaussian measure. We focus on simulation associated to a particular class of diffusion processes, sometimes termed the Schrödinger-Föllmer Sampler, which is a simulation technique that approximates the law of a particular diffusion bridge process $\{X_t\}_{t\in [0,1]}$ on $\mathbb{R}^d$, $d\in \mathbb{N}_0$. This latter process is constructed such that, starting at $X_0=0$, one has $X_1\sim π$. Typically, the drift of the diffusion is intractable and, even if it were not, exact sampling of the associated diffusion is not possible. As a result, \cite{sf_orig,jiao} consider a stochastic Euler-Maruyama scheme that allows the development of biased estimators for expectations w.r.t.~$π$. We show that for this methodology to achieve a mean square error of $\mathcal{O}(ε^2)$, for arbitrary $ε>0$, the associated cost is $\mathcal{O}(ε^{-5})$. We then introduce an alternative approach that provides unbiased estimates of expectations w.r.t.~$π$, that is, it does not suffer from the time discretization bias or the bias related with the approximation of the drift function. We prove that to achieve a mean square error of $\mathcal{O}(ε^2)$, the associated cost is, with high probability, $\mathcal{O}(ε^{-2}|\log(ε)|^{2+δ})$, for any $δ>0$. We implement our method on several examples including Bayesian inverse problems.

stat.CO

Stochastic Mirror Descent for Convex Optimization with Consensus Constraints

The mirror descent algorithm is known to be effective in situations where it is beneficial to adapt the mirror map to the underlying geometry of the optimization model. However, the effect of mirror maps on the geometry of distributed optimization problems has not been previously addressed. In this paper we study an exact distributed mirror descent algorithm in continuous-time under additive noise. We establish a linear convergence rate of the proposed dynamics for the setting of convex optimization. Our analysis draws motivation from the Augmented Lagrangian and its relation to gradient tracking. To further explore the benefits of mirror maps in a distributed setting we present a preconditioned variant of our algorithm with an additional mirror map over the Lagrangian dual variables. This allows our method to adapt to both the geometry of the primal variables, as well as to the geometry of the consensus constraint. We also propose a Gauss-Seidel type discretization scheme for the proposed method and establish its linear convergence rate. For certain classes of problems we identify mirror maps that mitigate the effect of the graph's spectral properties on the convergence rate of the algorithm. Using numerical experiments we demonstrate the efficiency of the methodology on convex models, both with and without constraints. Our findings show that the proposed method outperforms other methods, especially in scenarios where the model's geometry is not captured by the standard Euclidean norm

math.OC