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Fredrik Lindsten

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Published work

30 published item(s)

preprint2026arXiv

Njord: A Probabilistic Graph Neural Network for Ensemble Ocean Forecasting

Ocean dynamics are inherently chaotic, yet existing machine learning ocean models produce only deterministic forecasts. We introduce Njord, a probabilistic data-driven model for ocean forecasting, applicable to both global and regional domains. Njord combines a deep latent variable framework with a graph neural network architecture, enabling sampling each forecast step in a single forward pass. We apply Njord globally at 0.25° resolution and regionally to the Baltic Sea at 2 km resolution. To scale to these large ocean grids we introduce K-means cluster meshes that adapt to irregular sea surface geometry. Experiments demonstrate strong performance on both domains compared to deterministic machine learning baselines, while also providing uncertainty estimates from the sampled ensemble forecasts. On the global OceanBench benchmark, Njord achieves the lowest errors on average across upper-ocean variables when evaluated against real-world observations, with the largest improvements in surface temperature prediction.

preprint2022arXiv

Robustness and Reliability When Training With Noisy Labels

Labelling of data for supervised learning can be costly and time-consuming and the risk of incorporating label noise in large data sets is imminent. When training a flexible discriminative model using a strictly proper loss, such noise will inevitably shift the solution towards the conditional distribution over noisy labels. Nevertheless, while deep neural networks have proven capable of fitting random labels, regularisation and the use of robust loss functions empirically mitigate the effects of label noise. However, such observations concern robustness in accuracy, which is insufficient if reliable uncertainty quantification is critical. We demonstrate this by analysing the properties of the conditional distribution over noisy labels for an input-dependent noise model. In addition, we evaluate the set of robust loss functions characterised by noise-insensitive, asymptotic risk minimisers. We find that strictly proper and robust loss functions both offer asymptotic robustness in accuracy, but neither guarantee that the final model is calibrated. Moreover, even with robust loss functions, overfitting is an issue in practice. With these results, we aim to explain observed robustness of common training practices, such as early stopping, to label noise. In addition, we aim to encourage the development of new noise-robust algorithms that not only preserve accuracy but that also ensure reliability.

preprint2022arXiv

Scalable Deep Gaussian Markov Random Fields for General Graphs

Machine learning methods on graphs have proven useful in many applications due to their ability to handle generally structured data. The framework of Gaussian Markov Random Fields (GMRFs) provides a principled way to define Gaussian models on graphs by utilizing their sparsity structure. We propose a flexible GMRF model for general graphs built on the multi-layer structure of Deep GMRFs, originally proposed for lattice graphs only. By designing a new type of layer we enable the model to scale to large graphs. The layer is constructed to allow for efficient training using variational inference and existing software frameworks for Graph Neural Networks. For a Gaussian likelihood, close to exact Bayesian inference is available for the latent field. This allows for making predictions with accompanying uncertainty estimates. The usefulness of the proposed model is verified by experiments on a number of synthetic and real world datasets, where it compares favorably to other both Bayesian and deep learning methods.

preprint2021arXiv

A general framework for ensemble distribution distillation

Ensembles of neural networks have been shown to give better performance than single networks, both in terms of predictions and uncertainty estimation. Additionally, ensembles allow the uncertainty to be decomposed into aleatoric (data) and epistemic (model) components, giving a more complete picture of the predictive uncertainty. Ensemble distillation is the process of compressing an ensemble into a single model, often resulting in a leaner model that still outperforms the individual ensemble members. Unfortunately, standard distillation erases the natural uncertainty decomposition of the ensemble. We present a general framework for distilling both regression and classification ensembles in a way that preserves the decomposition. We demonstrate the desired behaviour of our framework and show that its predictive performance is on par with standard distillation.

preprint2021arXiv

Markovian Score Climbing: Variational Inference with KL(p||q)

Modern variational inference (VI) uses stochastic gradients to avoid intractable expectations, enabling large-scale probabilistic inference in complex models. VI posits a family of approximating distributions q and then finds the member of that family that is closest to the exact posterior p. Traditionally, VI algorithms minimize the "exclusive Kullback-Leibler (KL)" KL(q || p), often for computational convenience. Recent research, however, has also focused on the "inclusive KL" KL(p || q), which has good statistical properties that makes it more appropriate for certain inference problems. This paper develops a simple algorithm for reliably minimizing the inclusive KL using stochastic gradients with vanishing bias. This method, which we call Markovian score climbing (MSC), converges to a local optimum of the inclusive KL. It does not suffer from the systematic errors inherent in existing methods, such as Reweighted Wake-Sleep and Neural Adaptive Sequential Monte Carlo, which lead to bias in their final estimates. We illustrate convergence on a toy model and demonstrate the utility of MSC on Bayesian probit regression for classification as well as a stochastic volatility model for financial data.

preprint2020arXiv

Deep Gaussian Markov Random Fields

Gaussian Markov random fields (GMRFs) are probabilistic graphical models widely used in spatial statistics and related fields to model dependencies over spatial structures. We establish a formal connection between GMRFs and convolutional neural networks (CNNs). Common GMRFs are special cases of a generative model where the inverse mapping from data to latent variables is given by a 1-layer linear CNN. This connection allows us to generalize GMRFs to multi-layer CNN architectures, effectively increasing the order of the corresponding GMRF in a way which has favorable computational scaling. We describe how well-established tools, such as autodiff and variational inference, can be used for simple and efficient inference and learning of the deep GMRF. We demonstrate the flexibility of the proposed model and show that it outperforms the state-of-the-art on a dataset of satellite temperatures, in terms of prediction and predictive uncertainty.

preprint2020arXiv

Particle filter with rejection control and unbiased estimator of the marginal likelihood

We consider the combined use of resampling and partial rejection control in sequential Monte Carlo methods, also known as particle filters. While the variance reducing properties of rejection control are known, there has not been (to the best of our knowledge) any work on unbiased estimation of the marginal likelihood (also known as the model evidence or the normalizing constant) in this type of particle filter. Being able to estimate the marginal likelihood without bias is highly relevant for model comparison, computation of interpretable and reliable confidence intervals, and in exact approximation methods, such as particle Markov chain Monte Carlo. In the paper we present a particle filter with rejection control that enables unbiased estimation of the marginal likelihood.

preprint2016arXiv

Coupling of Particle Filters

Particle filters provide Monte Carlo approximations of intractable quantities such as point-wise evaluations of the likelihood in state space models. In many scenarios, the interest lies in the comparison of these quantities as some parameter or input varies. To facilitate such comparisons, we introduce and study methods to couple two particle filters in such a way that the correlation between the two underlying particle systems is increased. The motivation stems from the classic variance reduction technique of positively correlating two estimators. The key challenge in constructing such a coupling stems from the discontinuity of the resampling step of the particle filter. As our first contribution, we consider coupled resampling algorithms. Within bootstrap particle filters, they improve the precision of finite-difference estimators of the score vector and boost the performance of particle marginal Metropolis--Hastings algorithms for parameter inference. The second contribution arises from the use of these coupled resampling schemes within conditional particle filters, allowing for unbiased estimators of smoothing functionals. The result is a new smoothing strategy that operates by averaging a number of independent and unbiased estimators, which allows for 1) straightforward parallelization and 2) the construction of accurate error estimates. Neither of the above is possible with existing particle smoothers.

preprint2016arXiv

High-dimensional Filtering using Nested Sequential Monte Carlo

Sequential Monte Carlo (SMC) methods comprise one of the most successful approaches to approximate Bayesian filtering. However, SMC without good proposal distributions struggle in high dimensions. We propose nested sequential Monte Carlo (NSMC), a methodology that generalises the SMC framework by requiring only approximate, properly weighted, samples from the SMC proposal distribution, while still resulting in a correct SMC algorithm. This way we can exactly approximate the locally optimal proposal, and extend the class of models for which we can perform efficient inference using SMC. We show improved accuracy over other state-of-the-art methods on several spatio-temporal state space models.

preprint2016arXiv

Sequential Monte Carlo Methods for System Identification

One of the key challenges in identifying nonlinear and possibly non-Gaussian state space models (SSMs) is the intractability of estimating the system state. Sequential Monte Carlo (SMC) methods, such as the particle filter (introduced more than two decades ago), provide numerical solutions to the nonlinear state estimation problems arising in SSMs. When combined with additional identification techniques, these algorithms provide solid solutions to the nonlinear system identification problem. We describe two general strategies for creating such combinations and discuss why SMC is a natural tool for implementing these strategies.

preprint2015arXiv

Accelerating pseudo-marginal Metropolis-Hastings by correlating auxiliary variables

Pseudo-marginal Metropolis-Hastings (pmMH) is a powerful method for Bayesian inference in models where the posterior distribution is analytical intractable or computationally costly to evaluate directly. It operates by introducing additional auxiliary variables into the model and form an extended target distribution, which then can be evaluated point-wise. In many cases, the standard Metropolis-Hastings is then applied to sample from the extended target and the sought posterior can be obtained by marginalisation. However, in some implementations this approach suffers from poor mixing as the auxiliary variables are sampled from an independent proposal. We propose a modification to the pmMH algorithm in which a Crank-Nicolson (CN) proposal is used instead. This results in that we introduce a positive correlation in the auxiliary variables. We investigate how to tune the CN proposal and its impact on the mixing of the resulting pmMH sampler. The conclusion is that the proposed modification can have a beneficial effect on both the mixing of the Markov chain and the computational cost for each iteration of the pmMH algorithm.

preprint2015arXiv

Blocking Strategies and Stability of Particle Gibbs Samplers

Sampling from the conditional (or posterior) probability distribution of the latent states of a Hidden Markov Model, given the realization of the observed process, is a non-trivial problem in the context of Markov Chain Monte Carlo. To do this Andrieu et al. (2010) constructed a Markov kernel which leaves this conditional distribution invariant using a Particle Filter. From a practitioner's point of view, this Markov kernel attempts to mimic the act of sampling all the latent state variables as one block from the posterior distribution but for models where exact simulation is not possible. There are some recent theoretical results that establish the uniform ergodicity of this Markov kernel and that the mixing rate does not diminish provided the number of particles grows at least linearly with the number of latent states in the posterior. This gives rise to a cost, per application of the kernel, that is quadratic in the number of latent states which could be prohibitive for long observation sequences. We seek to answer an obvious but important question: is there a different implementation with a cost per-iteration that grows linearly with the number of latent states, but which is still stable in the sense that its mixing rate does not deteriorate? We address this problem using blocking strategies, which are easily parallelizable, and prove stability of the resulting sampler.

preprint2015arXiv

Nested Sequential Monte Carlo Methods

We propose nested sequential Monte Carlo (NSMC), a methodology to sample from sequences of probability distributions, even where the random variables are high-dimensional. NSMC generalises the SMC framework by requiring only approximate, properly weighted, samples from the SMC proposal distribution, while still resulting in a correct SMC algorithm. Furthermore, NSMC can in itself be used to produce such properly weighted samples. Consequently, one NSMC sampler can be used to construct an efficient high-dimensional proposal distribution for another NSMC sampler, and this nesting of the algorithm can be done to an arbitrary degree. This allows us to consider complex and high-dimensional models using SMC. We show results that motivate the efficacy of our approach on several filtering problems with dimensions in the order of 100 to 1 000.

preprint2015arXiv

Particle ancestor sampling for near-degenerate or intractable state transition models

We consider Bayesian inference in sequential latent variable models in general, and in nonlinear state space models in particular (i.e., state smoothing). We work with sequential Monte Carlo (SMC) algorithms, which provide a powerful inference framework for addressing this problem. However, for certain challenging and common model classes the state-of-the-art algorithms still struggle. The work is motivated in particular by two such model classes: (i) models where the state transition kernel is (nearly) degenerate, i.e. (nearly) concentrated on a low-dimensional manifold, and (ii) models where point-wise evaluation of the state transition density is intractable. Both types of models arise in many applications of interest, including tracking, epidemiology, and econometrics. The difficulties with these types of models is that they essentially rule out forward-backward-based methods, which are known to be of great practical importance, not least to construct computationally efficient particle Markov chain Monte Carlo (PMCMC) algorithms. To alleviate this, we propose a "particle rejuvenation" technique to enable the use of the forward-backward strategy for (nearly) degenerate models and, by extension, for intractable models. We derive the proposed method specifically within the context of PMCMC, but we emphasise that it is applicable to any forward-backward-based Monte Carlo method.

preprint2015arXiv

Quasi-Newton particle Metropolis-Hastings

Particle Metropolis-Hastings enables Bayesian parameter inference in general nonlinear state space models (SSMs). However, in many implementations a random walk proposal is used and this can result in poor mixing if not tuned correctly using tedious pilot runs. Therefore, we consider a new proposal inspired by quasi-Newton algorithms that may achieve similar (or better) mixing with less tuning. An advantage compared to other Hessian based proposals, is that it only requires estimates of the gradient of the log-posterior. A possible application is parameter inference in the challenging class of SSMs with intractable likelihoods. We exemplify this application and the benefits of the new proposal by modelling log-returns of future contracts on coffee by a stochastic volatility model with $α$-stable observations.

preprint2015arXiv

Rao-Blackwellized particle smoothers for conditionally linear Gaussian models

Sequential Monte Carlo (SMC) methods, such as the particle filter, are by now one of the standard computational techniques for addressing the filtering problem in general state-space models. However, many applications require post-processing of data offline. In such scenarios the smoothing problem--in which all the available data is used to compute state estimates--is of central interest. We consider the smoothing problem for a class of conditionally linear Gaussian models. We present a forward-backward-type Rao-Blackwellized particle smoother (RBPS) that is able to exploit the tractable substructure present in these models. Akin to the well known Rao-Blackwellized particle filter, the proposed RBPS marginalizes out a conditionally tractable subset of state variables, effectively making use of SMC only for the "intractable part" of the model. Compared to existing RBPS, two key features of the proposed method are: (i) it does not require structural approximations of the model, and (ii) the aforementioned marginalization is done both in the forward direction and in the backward direction.

preprint2015arXiv

Sequential Kernel Herding: Frank-Wolfe Optimization for Particle Filtering

Recently, the Frank-Wolfe optimization algorithm was suggested as a procedure to obtain adaptive quadrature rules for integrals of functions in a reproducing kernel Hilbert space (RKHS) with a potentially faster rate of convergence than Monte Carlo integration (and "kernel herding" was shown to be a special case of this procedure). In this paper, we propose to replace the random sampling step in a particle filter by Frank-Wolfe optimization. By optimizing the position of the particles, we can obtain better accuracy than random or quasi-Monte Carlo sampling. In applications where the evaluation of the emission probabilities is expensive (such as in robot localization), the additional computational cost to generate the particles through optimization can be justified. Experiments on standard synthetic examples as well as on a robot localization task indicate indeed an improvement of accuracy over random and quasi-Monte Carlo sampling.

preprint2014arXiv

Capacity estimation of two-dimensional channels using Sequential Monte Carlo

We derive a new Sequential-Monte-Carlo-based algorithm to estimate the capacity of two-dimensional channel models. The focus is on computing the noiseless capacity of the 2-D one-infinity run-length limited constrained channel, but the underlying idea is generally applicable. The proposed algorithm is profiled against a state-of-the-art method, yielding more than an order of magnitude improvement in estimation accuracy for a given computation time.

preprint2014arXiv

Identification of jump Markov linear models using particle filters

Jump Markov linear models consists of a finite number of linear state space models and a discrete variable encoding the jumps (or switches) between the different linear models. Identifying jump Markov linear models makes for a challenging problem lacking an analytical solution. We derive a new expectation maximization (EM) type algorithm that produce maximum likelihood estimates of the model parameters. Our development hinges upon recent progress in combining particle filters with Markov chain Monte Carlo methods in solving the nonlinear state smoothing problem inherent in the EM formulation. Key to our development is that we exploit a conditionally linear Gaussian substructure in the model, allowing for an efficient algorithm.

preprint2014arXiv

Particle filter-based Gaussian process optimisation for parameter inference

We propose a novel method for maximum likelihood-based parameter inference in nonlinear and/or non-Gaussian state space models. The method is an iterative procedure with three steps. At each iteration a particle filter is used to estimate the value of the log-likelihood function at the current parameter iterate. Using these log-likelihood estimates, a surrogate objective function is created by utilizing a Gaussian process model. Finally, we use a heuristic procedure to obtain a revised parameter iterate, providing an automatic trade-off between exploration and exploitation of the surrogate model. The method is profiled on two state space models with good performance both considering accuracy and computational cost.

preprint2014arXiv

Particle Gibbs with Ancestor Sampling

Particle Markov chain Monte Carlo (PMCMC) is a systematic way of combining the two main tools used for Monte Carlo statistical inference: sequential Monte Carlo (SMC) and Markov chain Monte Carlo (MCMC). We present a novel PMCMC algorithm that we refer to as particle Gibbs with ancestor sampling (PGAS). PGAS provides the data analyst with an off-the-shelf class of Markov kernels that can be used to simulate the typically high-dimensional and highly autocorrelated state trajectory in a state-space model. The ancestor sampling procedure enables fast mixing of the PGAS kernel even when using seemingly few particles in the underlying SMC sampler. This is important as it can significantly reduce the computational burden that is typically associated with using SMC. PGAS is conceptually similar to the existing PG with backward simulation (PGBS) procedure. Instead of using separate forward and backward sweeps as in PGBS, however, we achieve the same effect in a single forward sweep. This makes PGAS well suited for addressing inference problems not only in state-space models, but also in models with more complex dependencies, such as non-Markovian, Bayesian nonparametric, and general probabilistic graphical models.

preprint2014arXiv

Particle Metropolis-Hastings using gradient and Hessian information

Particle Metropolis-Hastings (PMH) allows for Bayesian parameter inference in nonlinear state space models by combining Markov chain Monte Carlo (MCMC) and particle filtering. The latter is used to estimate the intractable likelihood. In its original formulation, PMH makes use of a marginal MCMC proposal for the parameters, typically a Gaussian random walk. However, this can lead to a poor exploration of the parameter space and an inefficient use of the generated particles. We propose a number of alternative versions of PMH that incorporate gradient and Hessian information about the posterior into the proposal. This information is more or less obtained as a byproduct of the likelihood estimation. Indeed, we show how to estimate the required information using a fixed-lag particle smoother, with a computational cost growing linearly in the number of particles. We conclude that the proposed methods can: (i) decrease the length of the burn-in phase, (ii) increase the mixing of the Markov chain at the stationary phase, and (iii) make the proposal distribution scale invariant which simplifies tuning.

preprint2014arXiv

Sequential Monte Carlo for Graphical Models

We propose a new framework for how to use sequential Monte Carlo (SMC) algorithms for inference in probabilistic graphical models (PGM). Via a sequential decomposition of the PGM we find a sequence of auxiliary distributions defined on a monotonically increasing sequence of probability spaces. By targeting these auxiliary distributions using SMC we are able to approximate the full joint distribution defined by the PGM. One of the key merits of the SMC sampler is that it provides an unbiased estimate of the partition function of the model. We also show how it can be used within a particle Markov chain Monte Carlo framework in order to construct high-dimensional block-sampling algorithms for general PGMs.

preprint2014arXiv

Uniform ergodicity of the Particle Gibbs sampler

The particle Gibbs (PG) sampler is a systematic way of using a particle filter within Markov chain Monte Carlo (MCMC). This results in an off-the-shelf Markov kernel on the space of state trajectories, which can be used to simulate from the full joint smoothing distribution for a state space model in an MCMC scheme. We show that the PG Markov kernel is uniformly ergodic under rather general assumptions, that we will carefully review and discuss. In particular, we provide an explicit rate of convergence which reveals that: (i) for fixed number of data points, the convergence rate can be made arbitrarily good by increasing the number of particles, and (ii) under general mixing assumptions, the convergence rate can be kept constant by increasing the number of particles superlinearly with the number of observations. We illustrate the applicability of our result by studying in detail two common state space models with non-compact state spaces.

preprint2013arXiv

Bayesian Inference and Learning in Gaussian Process State-Space Models with Particle MCMC

State-space models are successfully used in many areas of science, engineering and economics to model time series and dynamical systems. We present a fully Bayesian approach to inference \emph{and learning} (i.e. state estimation and system identification) in nonlinear nonparametric state-space models. We place a Gaussian process prior over the state transition dynamics, resulting in a flexible model able to capture complex dynamical phenomena. To enable efficient inference, we marginalize over the transition dynamics function and infer directly the joint smoothing distribution using specially tailored Particle Markov Chain Monte Carlo samplers. Once a sample from the smoothing distribution is computed, the state transition predictive distribution can be formulated analytically. Our approach preserves the full nonparametric expressivity of the model and can make use of sparse Gaussian processes to greatly reduce computational complexity.

preprint2013arXiv

Identification of Gaussian Process State-Space Models with Particle Stochastic Approximation EM

Gaussian process state-space models (GP-SSMs) are a very flexible family of models of nonlinear dynamical systems. They comprise a Bayesian nonparametric representation of the dynamics of the system and additional (hyper-)parameters governing the properties of this nonparametric representation. The Bayesian formalism enables systematic reasoning about the uncertainty in the system dynamics. We present an approach to maximum likelihood identification of the parameters in GP-SSMs, while retaining the full nonparametric description of the dynamics. The method is based on a stochastic approximation version of the EM algorithm that employs recent developments in particle Markov chain Monte Carlo for efficient identification.

preprint2013arXiv

Inference in Gaussian models with missing data using Equalisation Maximisation

Equalisation Maximisation (EqM) is an algorithm for estimating parameters in auto-regressive (AR) models where some fraction of the data is missing. It has previously been shown that the EqM algorithm is a competitive alternative to expectation maximisation, estimating models with equal predictive capability at a lower computational cost. The EqM algorithm has previously been motivated as a heuristic. In this paper, we instead show that EqM can be viewed as an approximation of a proximal point algorithm. We also derive the method for the entire class of Gaussian models and exemplify its use for estimation of ARMA models with missing data. The resulting method is evaluated in numerical simulations, resulting in similar results as for the AR processes.

preprint2013arXiv

Recursive maximum likelihood identification of jump Markov nonlinear systems

In this contribution, we present an online method for joint state and parameter estimation in jump Markov non-linear systems (JMNLS). State inference is enabled via the use of particle filters which makes the method applicable to a wide range of non-linear models. To exploit the inherent structure of JMNLS, we design a Rao-Blackwellized particle filter (RBPF) where the discrete mode is marginalized out analytically. This results in an efficient implementation of the algorithm and reduces the estimation error variance. The proposed RBPF is then used to compute, recursively in time, smoothed estimates of complete data sufficient statistics. Together with the online expectation maximization algorithm, this enables recursive identification of unknown model parameters. The performance of the method is illustrated in simulations and on a localization problem in wireless networks using real data.

preprint2012arXiv

Ancestor Sampling for Particle Gibbs

We present a novel method in the family of particle MCMC methods that we refer to as particle Gibbs with ancestor sampling (PG-AS). Similarly to the existing PG with backward simulation (PG-BS) procedure, we use backward sampling to (considerably) improve the mixing of the PG kernel. Instead of using separate forward and backward sweeps as in PG-BS, however, we achieve the same effect in a single forward sweep. We apply the PG-AS framework to the challenging class of non-Markovian state-space models. We develop a truncation strategy of these models that is applicable in principle to any backward-simulation-based method, but which is particularly well suited to the PG-AS framework. In particular, as we show in a simulation study, PG-AS can yield an order-of-magnitude improved accuracy relative to PG-BS due to its robustness to the truncation error. Several application examples are discussed, including Rao-Blackwellized particle smoothing and inference in degenerate state-space models.

preprint2012arXiv

On the use of backward simulation in particle Markov chain Monte Carlo methods

Recently, Andrieu, Doucet and Holenstein (2010) introduced a general framework for using particle filters (PFs) to construct proposal kernels for Markov chain Monte Carlo (MCMC) methods. This framework, termed Particle Markov chain Monte Carlo (PMCMC), was shown to provide powerful methods for joint Bayesian state and parameter inference in nonlinear/non-Gaussian state-space models. However, the mixing of the resulting MCMC kernels can be quite sensitive, both to the number of particles used in the underlying PF and to the number of observations in the data. In the discussion following (Andrieu et al., 2010), Whiteley suggested a modified version of one of the PMCMC samplers, namely the particle Gibbs (PG) sampler, and argued that this should improve its mixing. In this paper we explore the consequences of this modification and show that it leads to a method which is much more robust to a low number of particles as well as a large number of observations. Furthermore, we discuss how the modified PG sampler can be used as a basis for alternatives to all three PMCMC samplers derived in (Andrieu et al., 2010). We evaluate these methods on several challenging inference problems in a simulation study. One of these is the identification of an epidemiological model for predicting influenza epidemics, based on search engine query data.