Wouter M. Kouw

Mykola Lukashchuk, Kyrylo Yemets, Wouter M. Kouw et al.

Stacking probabilistic building blocks into deeper architectures typically breaks closed-form inference. We show that closed-form inference can be preserved. We identify five factor-graph primitives: a bilinear factor, an exponential link, a Gamma prior, a Gaussian likelihood, and an equality node, and prove that any model composed from them admits closed-form variational message passing. The construction works because each primitive preserves a small set of message families: under mean-field factorization, messages on Gaussian variables remain Gaussian and messages on precision variables remain Gamma, while the only non-conjugate interface, the exponential link, remains tractable through the Gaussian moment-generating function and the sufficient statistics of the Gamma family. We demonstrate composition at increasing depth, from static ensembles through input-dependent gating to split-branch routing, and show that stacking routing layers encodes arbitrary decision trees, establishing universal function approximation with closed-form inference. Applied to ensemble time-series forecasting, the framework yields a Bayesian mixture of experts in which gating functions are inferred rather than learned, providing calibrated uncertainty over expert selection across five benchmark datasets.

Alp Sarı, Tak Kaneko, Lense H. M. Swaenen et al.

We address object tracking by radar and the robustness of the current state-of-the-art methods to process outliers. The standard tracking algorithms extract detections from radar image space to use it in the filtering stage. Filtering is performed by a Kalman filter, which assumes Gaussian distributed noise. However, this assumption does not account for large modeling errors and results in poor tracking performance during abrupt motions. We take the Gaussian Sum Filter (single-object variant of the Multi Hypothesis Tracker) as our baseline and propose a modification by modelling process noise with a distribution that has heavier tails than a Gaussian. Variational Bayes provides a fast, computationally cheap inference algorithm. Our simulations show that - in the presence of process outliers - the robust tracker outperforms the Gaussian Sum filter when tracking single objects.

Wouter M. Kouw, Caspar Gruijthuijsen, Lennart Blanken et al.

We propose a computational procedure for identifying convection in heat transfer dynamics. The procedure is based on a Gaussian process latent force model, consisting of a white-box component (i.e., known physics) for the conduction and linear convection effects and a Gaussian process that acts as a black-box component for the nonlinear convection effects. States are inferred through Bayesian smoothing and we obtain approximate posterior distributions for the kernel covariance function's hyperparameters using Laplace's method. The nonlinear convection function is recovered from the Gaussian process states using a Bayesian regression model. We validate the procedure by simulation error using the identified nonlinear convection function, on both data from a simulated system and measurements from a physical assembly.

Wouter M. Kouw

In nature, active inference agents must learn how observations of the world represent the state of the agent. In engineering, the physics behind sensors is often known reasonably accurately and measurement functions can be incorporated into generative models. When a measurement function is non-linear, the transformed variable is typically approximated with a Gaussian distribution to ensure tractable inference. We show that Gaussian approximations that are sensitive to the curvature of the measurement function, such as a second-order Taylor approximation, produce a state-dependent ambiguity term. This induces a preference over states, based on how accurately the state can be inferred from the observation. We demonstrate this preference with a robot navigation experiment where agents plan trajectories.

Sepideh Adamiat, Wouter M. Kouw, Bert de Vries

Bayesian inference provides a principled framework for understanding brain function, while neural activity in the brain is inherently spike-based. This paper bridges these two perspectives by designing spiking neural networks that simulate Bayesian inference through message passing for Bernoulli messages. To train the networks, we employ spike-timing-dependent plasticity, a biologically plausible mechanism for synaptic plasticity which is based on the Hebbian rule. Our results demonstrate that the network's performance closely matches the true numerical solution. We further demonstrate the versatility of our approach by implementing a factor graph example from coding theory, illustrating signal transmission over an unreliable channel.

Wouter M. Kouw

We propose an adaptive model-predictive controller that balances driving the system to a goal state and seeking system observations that are informative with respect to the parameters of a nonlinear autoregressive exogenous model. The controller's objective function is derived from an expected free energy functional and contains information-theoretic terms expressing uncertainty over model parameters and output predictions. Experiments illustrate how parameter uncertainty affects the control objective and evaluate the proposed controller for a pendulum swing-up task.

T. N. Nisslbeck, Wouter M. Kouw

We propose a recursive Bayesian estimation procedure for multivariate autoregressive models with exogenous inputs based on message passing in a factor graph. Unlike recursive least-squares, our method produces full posterior distributions for both the autoregressive coefficients and noise precision. The uncertainties regarding these estimates propagate into the uncertainties on predictions for future system outputs, and support online model evidence calculations. We demonstrate convergence empirically on a synthetic autoregressive system and competitive performance on a double mass-spring-damper system.

Tim N. Nisslbeck, Wouter M. Kouw

We propose an active inference agent to identify and control a mechanical system with multiple bodies connected by joints. This agent is constructed from multiple scalar autoregressive model-based agents, coupled together by virtue of sharing memories. Each subagent infers parameters through Bayesian filtering and controls by minimizing expected free energy over a finite time horizon. We demonstrate that a coupled agent of this kind is able to learn the dynamics of a double mass-spring-damper system, and drive it to a desired position through a balance of explorative and exploitative actions. It outperforms the uncoupled subagents in terms of surprise and goal alignment.

Wouter M. Kouw, Tim N. Nisslbeck, Wouter L. N. Nuijten

We present the design of an autoregressive active inference agent in the form of message passing on a factor graph. Expected free energy is derived and distributed across a planning graph. The proposed agent is validated on a robot navigation task, demonstrating exploration and exploitation in a continuous-valued observation space with bounded continuous-valued actions. Compared to a classical optimal controller, the agent modulates action based on predictive uncertainty, arriving later but with a better model of the robot's dynamics.

Wouter M. Kouw

Gaussian processes are important models in the field of probabilistic numerics. We present a procedure for optimizing Matérn kernel temporal Gaussian processes with respect to the kernel covariance function's hyperparameters. It is based on casting the optimization problem as a recursive Bayesian estimation procedure for the parameters of an autoregressive model. We demonstrate that the proposed procedure outperforms maximizing the marginal likelihood as well as Hamiltonian Monte Carlo sampling, both in terms of runtime and ultimate root mean square error in Gaussian process regression.

Evelien Schat, Rens van de Schoot, Wouter M. Kouw et al.

In a broad range of fields it may be desirable to reuse a supervised classification algorithm and apply it to a new data set. However, generalization of such an algorithm and thus achieving a similar classification performance is only possible when the training data used to build the algorithm is similar to new unseen data one wishes to apply it to. It is often unknown in advance how an algorithm will perform on new unseen data, being a crucial reason for not deploying an algorithm at all. Therefore, tools are needed to measure the similarity of data sets. In this paper, we propose the Data Representativeness Criterion (DRC) to determine how representative a training data set is of a new unseen data set. We present a proof of principle, to see whether the DRC can quantify the similarity of data sets and whether the DRC relates to the performance of a supervised classification algorithm. We compared a number of magnetic resonance imaging (MRI) data sets, ranging from subtle to severe difference is acquisition parameters. Results indicate that, based on the similarity of data sets, the DRC is able to give an indication as to when the performance of a supervised classifier decreases. The strictness of the DRC can be set by the user, depending on what one considers to be an acceptable underperformance.

Wouter M. Kouw, Silas N. Ørting, Jens Petersen et al.

Suppose one is faced with the challenge of tissue segmentation in MR images, without annotators at their center to provide labeled training data. One option is to go to another medical center for a trained classifier. Sadly, tissue classifiers do not generalize well across centers due to voxel intensity shifts caused by center-specific acquisition protocols. However, certain aspects of segmentations, such as spatial smoothness, remain relatively consistent and can be learned separately. Here we present a smoothness prior that is fit to segmentations produced at another medical center. This informative prior is presented to an unsupervised Bayesian model. The model clusters the voxel intensities, such that it produces segmentations that are similarly smooth to those of the other medical center. In addition, the unsupervised Bayesian model is extended to a semi-supervised variant, which needs no visual interpretation of clusters into tissues.

Wouter M. Kouw, Marco Loog

Domain adaptation has become a prominent problem setting in machine learning and related fields. This review asks the question: how can a classifier learn from a source domain and generalize to a target domain? We present a categorization of approaches, divided into, what we refer to as, sample-based, feature-based and inference-based methods. Sample-based methods focus on weighting individual observations during training based on their importance to the target domain. Feature-based methods revolve around on mapping, projecting and representing features such that a source classifier performs well on the target domain and inference-based methods incorporate adaptation into the parameter estimation procedure, for instance through constraints on the optimization procedure. Additionally, we review a number of conditions that allow for formulating bounds on the cross-domain generalization error. Our categorization highlights recurring ideas and raises questions important to further research.

Wouter M. Kouw, Marco Loog

In machine learning, if the training data is an unbiased sample of an underlying distribution, then the learned classification function will make accurate predictions for new samples. However, if the training data is not an unbiased sample, then there will be differences between how the training data is distributed and how the test data is distributed. Standard classifiers cannot cope with changes in data distributions between training and test phases, and will not perform well. Domain adaptation and transfer learning are sub-fields within machine learning that are concerned with accounting for these types of changes. Here, we present an introduction to these fields, guided by the question: when and how can a classifier generalize from a source to a target domain? We will start with a brief introduction into risk minimization, and how transfer learning and domain adaptation expand upon this framework. Following that, we discuss three special cases of data set shift, namely prior, covariate and concept shift. For more complex domain shifts, there are a wide variety of approaches. These are categorized into: importance-weighting, subspace mapping, domain-invariant spaces, feature augmentation, minimax estimators and robust algorithms. A number of points will arise, which we will discuss in the last section. We conclude with the remark that many open questions will have to be addressed before transfer learners and domain-adaptive classifiers become practical.

Wouter M. Kouw, Marco Loog, Wilbert Bartels et al.

Generalization of voxelwise classifiers is hampered by differences between MRI-scanners, e.g. different acquisition protocols and field strengths. To address this limitation, we propose a Siamese neural network (MRAI-NET) that extracts acquisition-invariant feature vectors. These can consequently be used by task-specific methods, such as voxelwise classifiers for tissue segmentation. MRAI-NET is tested on both simulated and real patient data. Experiments show that MRAI-NET outperforms voxelwise classifiers trained on the source or target scanner data when a small number of labeled samples is available.

Wouter M. Kouw, Marco Loog

In practice, the data distribution at test time often differs, to a smaller or larger extent, from that of the original training data. Consequentially, the so-called source classifier, trained on the available labelled data, deteriorates on the test, or target, data. Domain adaptive classifiers aim to combat this problem, but typically assume some particular form of domain shift. Most are not robust to violations of domain shift assumptions and may even perform worse than their non-adaptive counterparts. We construct robust parameter estimators for discriminant analysis that guarantee performance improvements of the adaptive classifier over the non-adaptive source classifier.

Wouter M. Kouw, Marco Loog

Importance-weighting is a popular and well-researched technique for dealing with sample selection bias and covariate shift. It has desirable characteristics such as unbiasedness, consistency and low computational complexity. However, weighting can have a detrimental effect on an estimator as well. In this work, we empirically show that the sampling distribution of an importance-weighted estimator can be skewed. For sample selection bias settings, and for small sample sizes, the importance-weighted risk estimator produces overestimates for datasets in the body of the sampling distribution, i.e. the majority of cases, and large underestimates for data sets in the tail of the sampling distribution. These over- and underestimates of the risk lead to suboptimal regularization parameters when used for importance-weighted validation.

Wouter M. Kouw, Jesse H. Krijthe, Marco Loog

Cross-validation under sample selection bias can, in principle, be done by importance-weighting the empirical risk. However, the importance-weighted risk estimator produces sub-optimal hyperparameter estimates in problem settings where large weights arise with high probability. We study its sampling variance as a function of the training data distribution and introduce a control variate to increase its robustness to problematically large weights.

Wouter M. Kouw, Marco Loog, Lambertus W. Bartels et al.

Voxelwise classification approaches are popular and effective methods for tissue quantification in brain magnetic resonance imaging (MRI) scans. However, generalization of these approaches is hampered by large differences between sets of MRI scans such as differences in field strength, vendor or acquisition protocols. Due to this acquisition related variation, classifiers trained on data from a specific scanner fail or under-perform when applied to data that was acquired differently. In order to address this lack of generalization, we propose a Siamese neural network (MRAI-net) to learn a representation that minimizes the between-scanner variation, while maintaining the contrast between brain tissues necessary for brain tissue quantification. The proposed MRAI-net was evaluated on both simulated and real MRI data. After learning the MR acquisition invariant representation, any supervised classification model that uses feature vectors can be applied. In this paper, we provide a proof of principle, which shows that a linear classifier applied on the MRAI representation is able to outperform supervised convolutional neural network classifiers for tissue classification when little target training data is available.

Wouter M. Kouw, Marco Loog

In domain adaptation, classifiers with information from a source domain adapt to generalize to a target domain. However, an adaptive classifier can perform worse than a non-adaptive classifier due to invalid assumptions, increased sensitivity to estimation errors or model misspecification. Our goal is to develop a domain-adaptive classifier that is robust in the sense that it does not rely on restrictive assumptions on how the source and target domains relate to each other and that it does not perform worse than the non-adaptive classifier. We formulate a conservative parameter estimator that only deviates from the source classifier when a lower risk is guaranteed for all possible labellings of the given target samples. We derive the classical least-squares and discriminant analysis cases and show that these perform on par with state-of-the-art domain adaptive classifiers in sample selection bias settings, while outperforming them in more general domain adaptation settings.

Wouter M. Kouw, Marco Loog

This paper identifies a problem with the usual procedure for L2-regularization parameter estimation in a domain adaptation setting. In such a setting, there are differences between the distributions generating the training data (source domain) and the test data (target domain). The usual cross-validation procedure requires validation data, which can not be obtained from the unlabeled target data. The problem is that if one decides to use source validation data, the regularization parameter is underestimated. One possible solution is to scale the source validation data through importance weighting, but we show that this correction is not sufficient. We conclude the paper with an empirical analysis of the effect of several importance weight estimators on the estimation of the regularization parameter.

Wouter M. Kouw, Jesse H. Krijthe, Marco Loog et al.

Domain adaptation is the supervised learning setting in which the training and test data are sampled from different distributions: training data is sampled from a source domain, whilst test data is sampled from a target domain. This paper proposes and studies an approach, called feature-level domain adaptation (FLDA), that models the dependence between the two domains by means of a feature-level transfer model that is trained to describe the transfer from source to target domain. Subsequently, we train a domain-adapted classifier by minimizing the expected loss under the resulting transfer model. For linear classifiers and a large family of loss functions and transfer models, this expected loss can be computed or approximated analytically, and minimized efficiently. Our empirical evaluation of FLDA focuses on problems comprising binary and count data in which the transfer can be naturally modeled via a dropout distribution, which allows the classifier to adapt to differences in the marginal probability of features in the source and the target domain. Our experiments on several real-world problems show that FLDA performs on par with state-of-the-art domain-adaptation techniques.