Theodoros Damoulas

Fabio Massimo Zennaro, Máté Drávucz, Geanina Apachitei et al.

An abstraction can be used to relate two structural causal models representing the same system at different levels of resolution. Learning abstractions which guarantee consistency with respect to interventional distributions would allow one to jointly reason about evidence across multiple levels of granularity while respecting the underlying cause-effect relationships. In this paper, we introduce a first framework for causal abstraction learning between SCMs based on the formalization of abstraction recently proposed by Rischel (2020). Based on that, we propose a differentiable programming solution that jointly solves a number of combinatorial sub-problems, and we study its performance and benefits against independent and sequential approaches on synthetic settings and on a challenging real-world problem related to electric vehicle battery manufacturing.

Nicola Branchini, Virginia Aglietti, Neil Dhir et al.

We study the problem of globally optimizing the causal effect on a target variable of an unknown causal graph in which interventions can be performed. This problem arises in many areas of science including biology, operations research and healthcare. We propose Causal Entropy Optimization (CEO), a framework that generalizes Causal Bayesian Optimization (CBO) to account for all sources of uncertainty, including the one arising from the causal graph structure. CEO incorporates the causal structure uncertainty both in the surrogate models for the causal effects and in the mechanism used to select interventions via an information-theoretic acquisition function. The resulting algorithm automatically trades-off structure learning and causal effect optimization, while naturally accounting for observation noise. For various synthetic and real-world structural causal models, CEO achieves faster convergence to the global optimum compared with CBO while also learning the graph. Furthermore, our joint approach to structure learning and causal optimization improves upon sequential, structure-learning-first approaches.

Oliver Hamelijnck, Arno Solin, Theodoros Damoulas

Differential equations are important mechanistic models that are integral to many scientific and engineering applications. With the abundance of available data there has been a growing interest in data-driven physics-informed models. Gaussian processes (GPs) are particularly suited to this task as they can model complex, non-linear phenomena whilst incorporating prior knowledge and quantifying uncertainty. Current approaches have found some success but are limited as they either achieve poor computational scalings or focus only on the temporal setting. This work addresses these issues by introducing a variational spatio-temporal state-space GP that handles linear and non-linear physical constraints while achieving efficient linear-in-time computation costs. We demonstrate our methods in a range of synthetic and real-world settings and outperform the current state-of-the-art in both predictive and computational performance.

Fabio Massimo Zennaro, Paolo Turrini, Theodoros Damoulas

Working with causal models at different levels of abstraction is an important feature of science. Existing work has already considered the problem of expressing formally the relation of abstraction between causal models. In this paper, we focus on the problem of learning abstractions. We start by defining the learning problem formally in terms of the optimization of a standard measure of consistency. We then point out the limitation of this approach, and we suggest extending the objective function with a term accounting for information loss. We suggest a concrete measure of information loss, and we illustrate its contribution to learning new abstractions.

Charita Dellaporta, Patrick O'Hara, Theodoros Damoulas

Decision making under uncertainty is challenging since the data-generating process (DGP) is often unknown. Bayesian inference proceeds by estimating the DGP through posterior beliefs about the model's parameters. However, minimising the expected risk under these posterior beliefs can lead to sub-optimal decisions due to model uncertainty or limited, noisy observations. To address this, we introduce Distributionally Robust Optimisation with Bayesian Ambiguity Sets (DRO-BAS) which hedges against uncertainty in the model by optimising the worst-case risk over a posterior-informed ambiguity set. We show that our method admits a closed-form dual representation for many exponential family members and showcase its improved out-of-sample robustness against existing Bayesian DRO methodology in the Newsvendor problem.

Mengqi Chen, Thomas B. Berrett, Theodoros Damoulas et al.

Distributionally robust optimisation (DRO) minimises the worst-case expected loss over an ambiguity set that can capture distributional shifts in out-of-sample environments. While Huber (linear-vacuous) contamination is a classical minimal-assumption model for an $\varepsilon$-fraction of arbitrary perturbations, including it in an ambiguity set can make the worst-case risk infinite and the DRO objective vacuous unless one imposes strong boundedness or support assumptions. We address these challenges by introducing bulk-calibrated credal ambiguity sets: we learn a high-mass bulk set from data while considering contamination inside the bulk and bounding the remaining tail contribution separately. This leads to a closed-form, finite $\mathrm{mean}+\sup$ robust objective and tractable linear or second-order cone programs for common losses and bulk geometries. Through this framework, we highlight and exploit the equivalence between the imprecise probability (IP) notion of upper expectation and the worst-case risk, demonstrating how IP credal sets translate into DRO objectives with interpretable tolerance levels. Experiments on heavy-tailed inventory control, geographically shifted house-price regression, and demographically shifted text classification show competitive robustness-accuracy trade-offs and efficient optimisation times, using Bayesian, frequentist, or empirical reference distributions.

Yorgos Felekis, Fabio Massimo Zennaro, Nicola Branchini et al.

Causal abstraction (CA) theory establishes formal criteria for relating multiple structural causal models (SCMs) at different levels of granularity by defining maps between them. These maps have significant relevance for real-world challenges such as synthesizing causal evidence from multiple experimental environments, learning causally consistent representations at different resolutions, and linking interventions across multiple SCMs. In this work, we propose COTA, the first method to learn abstraction maps from observational and interventional data without assuming complete knowledge of the underlying SCMs. In particular, we introduce a multi-marginal Optimal Transport (OT) formulation that enforces do-calculus causal constraints, together with a cost function that relies on interventional information. We extensively evaluate COTA on synthetic and real world problems, and showcase its advantages over non-causal, independent and aggregated COTA formulations. Finally, we demonstrate the efficiency of our method as a data augmentation tool by comparing it against the state-of-the-art CA learning framework, which assumes fully specified SCMs, on a real-world downstream task.

Joel Dyer, Nicholas Bishop, Yorgos Felekis et al.

Agent-based simulators provide granular representations of complex intelligent systems by directly modelling the interactions of the system's constituent agents. Their high-fidelity nature enables hyper-local policy evaluation and testing of what-if scenarios, but is associated with large computational costs that inhibits their widespread use. Surrogate models can address these computational limitations, but they must behave consistently with the agent-based model under policy interventions of interest. In this paper, we capitalise on recent developments on causal abstractions to develop a framework for learning interventionally consistent surrogate models for agent-based simulators. Our proposed approach facilitates rapid experimentation with policy interventions in complex systems, while inducing surrogates to behave consistently with high probability with respect to the agent-based simulator across interventions of interest. We demonstrate with empirical studies that observationally trained surrogates can misjudge the effect of interventions and misguide policymakers towards suboptimal policies, while surrogates trained for interventional consistency with our proposed method closely mimic the behaviour of an agent-based model under interventions of interest.

Fabio Massimo Zennaro, Nicholas Bishop, Joel Dyer et al.

Multi-armed bandits (MAB) and causal MABs (CMAB) are established frameworks for decision-making problems. The majority of prior work typically studies and solves individual MAB and CMAB in isolation for a given problem and associated data. However, decision-makers are often faced with multiple related problems and multi-scale observations where joint formulations are needed in order to efficiently exploit the problem structures and data dependencies. Transfer learning for CMABs addresses the situation where models are defined on identical variables, although causal connections may differ. In this work, we extend transfer learning to setups involving CMABs defined on potentially different variables, with varying degrees of granularity, and related via an abstraction map. Formally, we introduce the problem of causally abstracted MABs (CAMABs) by relying on the theory of causal abstraction in order to express a rigorous abstraction map. We propose algorithms to learn in a CAMAB, and study their regret. We illustrate the limitations and the strengths of our algorithms on a real-world scenario related to online advertising.

Charita Dellaporta, Patrick O'Hara, Theodoros Damoulas

Decision making under uncertainty is challenging as the data-generating process (DGP) is often unknown. Bayesian inference proceeds by estimating the DGP through posterior beliefs on the model's parameters. However, minimising the expected risk under these beliefs can lead to suboptimal decisions due to model uncertainty or limited, noisy observations. To address this, we introduce Distributionally Robust Optimisation with Bayesian Ambiguity Sets (DRO-BAS) which hedges against model uncertainty by optimising the worst-case risk over a posterior-informed ambiguity set. We provide two such sets, based on posterior expectations (DRO-BAS(PE)) or posterior predictives (DRO-BAS(PP)) and prove that both admit, under conditions, strong dual formulations leading to efficient single-stage stochastic programs which are solved with a sample average approximation. For DRO-BAS(PE) this covers all conjugate exponential family members while for DRO-BAS(PP) this is shown under conditions on the predictive's moment generating function. Our DRO-BAS formulations outperform existing Bayesian DRO on the Newsvendor problem and achieve faster solve times with comparable robustness on the Portfolio problem.

Terje Mildner, Oliver Hamelijnck, Paris Giampouras et al.

We introduce FedGVI, a probabilistic Federated Learning (FL) framework that is robust to both prior and likelihood misspecification. FedGVI addresses limitations in both frequentist and Bayesian FL by providing unbiased predictions under model misspecification, with calibrated uncertainty quantification. Our approach generalises previous FL approaches, specifically Partitioned Variational Inference (Ashman et al., 2022), by allowing robust and conjugate updates, decreasing computational complexity at the clients. We offer theoretical analysis in terms of fixed-point convergence, optimality of the cavity distribution, and provable robustness to likelihood misspecification. Further, we empirically demonstrate the effectiveness of FedGVI in terms of improved robustness and predictive performance on multiple synthetic and real world classification data sets.

Yorgos Felekis, Theodoros Damoulas, Paris Giampouras

Causal Abstraction (CA) theory provides a principled framework for relating causal models that describe the same system at different levels of granularity while ensuring interventional consistency between them. Recently, several approaches for learning CAs have been proposed, but all assume fixed and well-specified exogenous distributions, making them vulnerable to environmental shifts and misspecification. In this work, we address these limitations by introducing the first class of distributionally robust CAs and their associated learning algorithms. The latter cast robust causal abstraction learning as a constrained min-max optimization problem with Wasserstein ambiguity sets. We provide theoretical results, for both empirical and Gaussian environments, leading to principled selection of the level of robustness via the radius of these sets. Furthermore, we present empirical evidence across different problems and CA learning methods, demonstrating our framework's robustness not only to environmental shifts but also to structural model and intervention mapping misspecification.

David Huk, Theodoros Damoulas

Copulas are a fundamental tool for modelling multivariate dependencies in data, forming the method of choice in diverse fields and applications. However, the adoption of existing models for multimodal and high-dimensional dependencies is hindered by restrictive assumptions and poor scaling. In this work, we present methods for modelling copulas based on the principles of diffusions and flows. We design two processes that progressively forget inter-variable dependencies while leaving dimension-wise distributions unaffected, provably defining valid copulas at all times. We show how to obtain copula models by learning to remember the forgotten dependencies from each process, theoretically recovering the true copula at optimality. The first instantiation of our framework focuses on direct density estimation, while the second specialises in expedient sampling. Empirically, we demonstrate the superior performance of our proposed methods over state-of-the-art copula approaches in modelling complex and high-dimensional dependencies from scientific datasets and images. Our work enhances the representational power of copula models, empowering applications and paving the way for their adoption on larger scales and more challenging domains.

Charita Dellaporta, Patrick O'Hara, Theodoros Damoulas

Distributionally Robust Optimisation (DRO) protects risk-averse decision-makers by considering the worst-case risk within an ambiguity set of distributions based on the empirical distribution or a model. To further guard against finite, noisy data, model-based approaches admit Bayesian formulations that propagate uncertainty from the posterior to the decision-making problem. However, when the model is misspecified, the decision maker must stretch the ambiguity set to contain the data-generating process (DGP), leading to overly conservative decisions. We address this challenge by introducing DRO with Robust, to model misspecification, Bayesian Ambiguity Sets (DRO-RoBAS). These are Maximum Mean Discrepancy ambiguity sets centred at a robust posterior predictive distribution that incorporates beliefs about the DGP. We show that the resulting optimisation problem obtains a dual formulation in the Reproducing Kernel Hilbert Space and we give probabilistic guarantees on the tolerance level of the ambiguity set. Our method outperforms other Bayesian and empirical DRO approaches in out-of-sample performance on the Newsvendor and Portfolio problems with various cases of model misspecification.

Fabio Massimo Zennaro, Paolo Turrini, Theodoros Damoulas

Structural causal models provide a formalism to express causal relations between variables of interest. Models and variables can represent a system at different levels of abstraction, whereby relations may be coarsened and refined according to the need of a modeller. However, switching between different levels of abstraction requires evaluating a trade-off between the consistency and the information loss among different models. In this paper we introduce a family of interventional measures that an agent may use to evaluate such a trade-off. We consider four measures suited for different tasks, analyze their properties, and propose algorithms to evaluate and learn causal abstractions. Finally, we illustrate the flexibility of our setup by empirically showing how different measures and algorithmic choices may lead to different abstractions.

Charita Dellaporta, Jeremias Knoblauch, Theodoros Damoulas et al.

Simulator-based models are models for which the likelihood is intractable but simulation of synthetic data is possible. They are often used to describe complex real-world phenomena, and as such can often be misspecified in practice. Unfortunately, existing Bayesian approaches for simulators are known to perform poorly in those cases. In this paper, we propose a novel algorithm based on the posterior bootstrap and maximum mean discrepancy estimators. This leads to a highly-parallelisable Bayesian inference algorithm with strong robustness properties. This is demonstrated through an in-depth theoretical study which includes generalisation bounds and proofs of frequentist consistency and robustness of our posterior. The approach is then assessed on a range of examples including a g-and-k distribution and a toggle-switch model.

Joel Jaskari, Jaakko Sahlsten, Theodoros Damoulas et al.

Automatic classification of diabetic retinopathy from retinal images has been widely studied using deep neural networks with impressive results. However, there is a clinical need for estimation of the uncertainty in the classifications, a shortcoming of modern neural networks. Recently, approximate Bayesian deep learning methods have been proposed for the task but the studies have only considered the binary referable/non-referable diabetic retinopathy classification applied to benchmark datasets. We present novel results by systematically investigating a clinical dataset and a clinically relevant 5-class classification scheme, in addition to benchmark datasets and the binary classification scheme. Moreover, we derive a connection between uncertainty measures and classifier risk, from which we develop a new uncertainty measure. We observe that the previously proposed entropy-based uncertainty measure generalizes to the clinical dataset on the binary classification scheme but not on the 5-class scheme, whereas our new uncertainty measure generalizes to the latter case.

Oliver Hamelijnck, William J. Wilkinson, Niki A. Loppi et al.

We introduce a scalable approach to Gaussian process inference that combines spatio-temporal filtering with natural gradient variational inference, resulting in a non-conjugate GP method for multivariate data that scales linearly with respect to time. Our natural gradient approach enables application of parallel filtering and smoothing, further reducing the temporal span complexity to be logarithmic in the number of time steps. We derive a sparse approximation that constructs a state-space model over a reduced set of spatial inducing points, and show that for separable Markov kernels the full and sparse cases exactly recover the standard variational GP, whilst exhibiting favourable computational properties. To further improve the spatial scaling we propose a mean-field assumption of independence between spatial locations which, when coupled with sparsity and parallelisation, leads to an efficient and accurate method for large spatio-temporal problems.

Virginia Aglietti, Neil Dhir, Javier González et al.

This paper studies the problem of performing a sequence of optimal interventions in a causal dynamical system where both the target variable of interest and the inputs evolve over time. This problem arises in a variety of domains e.g. system biology and operational research. Dynamic Causal Bayesian Optimization (DCBO) brings together ideas from sequential decision making, causal inference and Gaussian process (GP) emulation. DCBO is useful in scenarios where all causal effects in a graph are changing over time. At every time step DCBO identifies a local optimal intervention by integrating both observational and past interventional data collected from the system. We give theoretical results detailing how one can transfer interventional information across time steps and define a dynamic causal GP model which can be used to quantify uncertainty and find optimal interventions in practice. We demonstrate how DCBO identifies optimal interventions faster than competing approaches in multiple settings and applications.

Cristopher Salvi, Maud Lemercier, Chong Liu et al.

Stochastic processes are random variables with values in some space of paths. However, reducing a stochastic process to a path-valued random variable ignores its filtration, i.e. the flow of information carried by the process through time. By conditioning the process on its filtration, we introduce a family of higher order kernel mean embeddings (KMEs) that generalizes the notion of KME and captures additional information related to the filtration. We derive empirical estimators for the associated higher order maximum mean discrepancies (MMDs) and prove consistency. We then construct a filtration-sensitive kernel two-sample test able to pick up information that gets missed by the standard MMD test. In addition, leveraging our higher order MMDs we construct a family of universal kernels on stochastic processes that allows to solve real-world calibration and optimal stopping problems in quantitative finance (such as the pricing of American options) via classical kernel-based regression methods. Finally, adapting existing tests for conditional independence to the case of stochastic processes, we design a causal-discovery algorithm to recover the causal graph of structural dependencies among interacting bodies solely from observations of their multidimensional trajectories.

Shanaka Perera, Virginia Aglietti, Theodoros Damoulas

We study the problem of estimating potential revenue or demand at business facilities and understanding its generating mechanism. This problem arises in different fields such as operation research or urban science, and more generally, it is crucial for businesses' planning and decision making. We develop a Bayesian spatial interaction model, henceforth BSIM, which provides probabilistic predictions about revenues generated by a particular business location provided their features and the potential customers' characteristics in a given region. BSIM explicitly accounts for the competition among the competitive facilities through a probability value determined by evaluating a store-specific Gaussian distribution at a given customer location. We propose a scalable variational inference framework that, while being significantly faster than competing Markov Chain Monte Carlo inference schemes, exhibits comparable performances in terms of parameters identification and uncertainty quantification. We demonstrate the benefits of BSIM in various synthetic settings characterised by an increasing number of stores and customers. Finally, we construct a real-world, large spatial dataset for pub activities in London, UK, which includes over 1,500 pubs and 150,000 customer regions. We demonstrate how BSIM outperforms competing approaches on this large dataset in terms of prediction performances while providing results that are both interpretable and consistent with related indicators observed for the London region.

Maud Lemercier, Cristopher Salvi, Thomas Cass et al.

Making predictions and quantifying their uncertainty when the input data is sequential is a fundamental learning challenge, recently attracting increasing attention. We develop SigGPDE, a new scalable sparse variational inference framework for Gaussian Processes (GPs) on sequential data. Our contribution is twofold. First, we construct inducing variables underpinning the sparse approximation so that the resulting evidence lower bound (ELBO) does not require any matrix inversion. Second, we show that the gradients of the GP signature kernel are solutions of a hyperbolic partial differential equation (PDE). This theoretical insight allows us to build an efficient back-propagation algorithm to optimize the ELBO. We showcase the significant computational gains of SigGPDE compared to existing methods, while achieving state-of-the-art performance for classification tasks on large datasets of up to 1 million multivariate time series.

Chance Haycock, Edward Thorpe-Woods, James Walsh et al.

One of the Greater London Authority's (GLA) response to the COVID-19 pandemic brings together multiple large-scale and heterogeneous datasets capturing mobility, transportation and traffic activity over the city of London to better understand 'busyness' and enable targeted interventions and effective policy-making. As part of Project Odysseus we describe an early-warning system and introduce an expectation-based scan statistic for networks to help the GLA and Transport for London, understand the extent to which populations are following government COVID-19 guidelines. We explicitly treat the case of geographically fixed time-series data located on a (road) network and primarily focus on monitoring the dynamics across large regions of the capital. Additionally, we also focus on the detection and reporting of significant spatio-temporal regions. Our approach is extending the Network Based Scan Statistic (NBSS) by making it expectation-based (EBP) and by using stochastic processes for time-series forecasting, which enables us to quantify metric uncertainty in both the EBP and NBSS frameworks. We introduce a variant of the metric used in the EBP model which focuses on identifying space-time regions in which activity is quieter than expected.

James Walsh, Oluwafunmilola Kesa, Andrew Wang et al.

During the COVID-19 pandemic, policy makers at the Greater London Authority, the regional governance body of London, UK, are reliant upon prompt and accurate data sources. Large well-defined heterogeneous compositions of activity throughout the city are sometimes difficult to acquire, yet are a necessity in order to learn 'busyness' and consequently make safe policy decisions. One component of our project within this space is to utilise existing infrastructure to estimate social distancing adherence by the general public. Our method enables near immediate sampling and contextualisation of activity and physical distancing on the streets of London via live traffic camera feeds. We introduce a framework for inspecting and improving upon existing methods, whilst also describing its active deployment on over 900 real-time feeds.

Juan Maroñas, Oliver Hamelijnck, Jeremias Knoblauch et al.

Gaussian Processes (GPs) can be used as flexible, non-parametric function priors. Inspired by the growing body of work on Normalizing Flows, we enlarge this class of priors through a parametric invertible transformation that can be made input-dependent. Doing so also allows us to encode interpretable prior knowledge (e.g., boundedness constraints). We derive a variational approximation to the resulting Bayesian inference problem, which is as fast as stochastic variational GP regression (Hensman et al., 2013; Dezfouli and Bonilla,2015). This makes the model a computationally efficient alternative to other hierarchical extensions of GP priors (Lazaro-Gredilla,2012; Damianou and Lawrence, 2013). The resulting algorithm's computational and inferential performance is excellent, and we demonstrate this on a range of data sets. For example, even with only 5 inducing points and an input-dependent flow, our method is consistently competitive with a standard sparse GP fitted using 100 inducing points.

Virginia Aglietti, Theodoros Damoulas, Mauricio Álvarez et al.

This paper studies the problem of learning the correlation structure of a set of intervention functions defined on the directed acyclic graph (DAG) of a causal model. This is useful when we are interested in jointly learning the causal effects of interventions on different subsets of variables in a DAG, which is common in field such as healthcare or operations research. We propose the first multi-task causal Gaussian process (GP) model, which we call DAG-GP, that allows for information sharing across continuous interventions and across experiments on different variables. DAG-GP accommodates different assumptions in terms of data availability and captures the correlation between functions lying in input spaces of different dimensionality via a well-defined integral operator. We give theoretical results detailing when and how the DAG-GP model can be formulated depending on the DAG. We test both the quality of its predictions and its calibrated uncertainties. Compared to single-task models, DAG-GP achieves the best fitting performance in a variety of real and synthetic settings. In addition, it helps to select optimal interventions faster than competing approaches when used within sequential decision making frameworks, like active learning or Bayesian optimization.

David J. Armstrong, Jevgenij Gamper, Theodoros Damoulas

Over 30% of the ~4000 known exoplanets to date have been discovered using 'validation', where the statistical likelihood of a transit arising from a false positive (FP), non-planetary scenario is calculated. For the large majority of these validated planets calculations were performed using the vespa algorithm (Morton et al. 2016). Regardless of the strengths and weaknesses of vespa, it is highly desirable for the catalogue of known planets not to be dependent on a single method. We demonstrate the use of machine learning algorithms, specifically a gaussian process classifier (GPC) reinforced by other models, to perform probabilistic planet validation incorporating prior probabilities for possible FP scenarios. The GPC can attain a mean log-loss per sample of 0.54 when separating confirmed planets from FPs in the Kepler threshold crossing event (TCE) catalogue. Our models can validate thousands of unseen candidates in seconds once applicable vetting metrics are calculated, and can be adapted to work with the active TESS mission, where the large number of observed targets necessitates the use of automated algorithms. We discuss the limitations and caveats of this methodology, and after accounting for possible failure modes newly validate 50 Kepler candidates as planets, sanity checking the validations by confirming them with vespa using up to date stellar information. Concerning discrepancies with vespa arise for many other candidates, which typically resolve in favour of our models. Given such issues, we caution against using single-method planet validation with either method until the discrepancies are fully understood.

Daniel J. Tait, Theodoros Damoulas

Specifying a governing physical model in the presence of missing physics and recovering its parameters are two intertwined and fundamental problems in science. Modern machine learning allows one to circumvent these, via emulators and surrogates, but in doing so disregards prior knowledge and physical laws that are especially important for small data regimes, interpretability, and decision making. In this work we fold the mechanistic model into a flexible data-driven surrogate to arrive at a physically structured decoder network. This provides accelerated inference for the Bayesian inverse problem, and can act as a drop-in regulariser that encodes a-priori physical information. We employ the variational form of the PDE problem and introduce stochastic local approximations as a form of model based data augmentation. We demonstrate both the accuracy and increased computational efficiency of the framework on real world settings and structured spatial processes.

Maud Lemercier, Cristopher Salvi, Theodoros Damoulas et al.

Distribution regression refers to the supervised learning problem where labels are only available for groups of inputs instead of individual inputs. In this paper, we develop a rigorous mathematical framework for distribution regression where inputs are complex data streams. Leveraging properties of the expected signature and a recent signature kernel trick for sequential data from stochastic analysis, we introduce two new learning techniques, one feature-based and the other kernel-based. Each is suited to a different data regime in terms of the number of data streams and the dimensionality of the individual streams. We provide theoretical results on the universality of both approaches and demonstrate empirically their robustness to irregularly sampled multivariate time-series, achieving state-of-the-art performance on both synthetic and real-world examples from thermodynamics, mathematical finance and agricultural science.

Ayman Boustati, Ömer Deniz Akyildiz, Theodoros Damoulas et al.

We introduce a framework for inference in general state-space hidden Markov models (HMMs) under likelihood misspecification. In particular, we leverage the loss-theoretic perspective of Generalized Bayesian Inference (GBI) to define generalised filtering recursions in HMMs, that can tackle the problem of inference under model misspecification. In doing so, we arrive at principled procedures for robust inference against observation contamination by utilising the $β$-divergence. Operationalising the proposed framework is made possible via sequential Monte Carlo methods (SMC), where most standard particle methods, and their associated convergence results, are readily adapted to the new setting. We apply our approach to object tracking and Gaussian process regression problems, and observe improved performance over both standard filtering algorithms and other robust filters.

Ömer Deniz Akyildiz, Gerrit J. J. van den Burg, Theodoros Damoulas et al.

We introduce the probabilistic sequential matrix factorization (PSMF) method for factorizing time-varying and non-stationary datasets consisting of high-dimensional time-series. In particular, we consider nonlinear Gaussian state-space models where sequential approximate inference results in the factorization of a data matrix into a dictionary and time-varying coefficients with potentially nonlinear Markovian dependencies. The assumed Markovian structure on the coefficients enables us to encode temporal dependencies into a low-dimensional feature space. The proposed inference method is solely based on an approximate extended Kalman filtering scheme, which makes the resulting method particularly efficient. PSMF can account for temporal nonlinearities and, more importantly, can be used to calibrate and estimate generic differentiable nonlinear subspace models. We also introduce a robust version of PSMF, called rPSMF, which uses Student-t filters to handle model misspecification. We show that PSMF can be used in multiple contexts: modeling time series with a periodic subspace, robustifying changepoint detection methods, and imputing missing data in several high-dimensional time-series, such as measurements of pollutants across London.

Ying Zhang, Ömer Deniz Akyildiz, Theodoros Damoulas et al.

In this paper, we are concerned with a non-asymptotic analysis of sampling algorithms used in nonconvex optimization. In particular, we obtain non-asymptotic estimates in Wasserstein-1 and Wasserstein-2 distances for a popular class of algorithms called Stochastic Gradient Langevin Dynamics (SGLD). In addition, the aforementioned Wasserstein-2 convergence result can be applied to establish a non-asymptotic error bound for the expected excess risk. Crucially, these results are obtained under a local Lipschitz condition and a local dissipativity condition where we remove the uniform dependence in the data stream. We illustrate the importance of this relaxation by presenting examples from variational inference and from index tracking optimization.

Oliver Hamelijnck, Theodoros Damoulas, Kangrui Wang et al.

We consider evidence integration from potentially dependent observation processes under varying spatio-temporal sampling resolutions and noise levels. We develop a multi-resolution multi-task (MRGP) framework while allowing for both inter-task and intra-task multi-resolution and multi-fidelity. We develop shallow Gaussian Process (GP) mixtures that approximate the difficult to estimate joint likelihood with a composite one and deep GP constructions that naturally handle biases in the mean. By doing so, we generalize and outperform state of the art GP compositions and offer information-theoretic corrections and efficient variational approximations. We demonstrate the competitiveness of MRGPs on synthetic settings and on the challenging problem of hyper-local estimation of air pollution levels across London from multiple sensing modalities operating at disparate spatio-temporal resolutions.

Patrick O'Hara, M. S. Ramanujan, Theodoros Damoulas

We introduce the Constrained Least-cost Tour (CLT) problem: given an undirected graph with weight and cost functions on the edges, minimise the total cost of a tour rooted at a start vertex such that the total weight lies within a given range. CLT is related to the family of Travelling Salesman Problems with Profits, but differs by defining the weight function on edges instead of vertices, and by requiring the total weight to be within a range instead of being at least some quota. We prove CLT is $\mathcal{NP}$-hard, even in the simple case when the input graph is a path. We derive an informative lower bound by relaxing the integrality of edges and propose a heuristic motivated by this relaxation. For the case that requires the tour to be a simple cycle, we develop two heuristics which exploit Suurballe's algorithm to find low-cost, weight-feasible cycles. We demonstrate our algorithms by addressing a real-world problem that affects urban populations: finding routes that minimise air pollution exposure for walking, running and cycling in the city of London.

Virginia Aglietti, Edwin V. Bonilla, Theodoros Damoulas et al.

We propose a scalable framework for inference in an inhomogeneous Poisson process modeled by a continuous sigmoidal Cox process that assumes the corresponding intensity function is given by a Gaussian process (GP) prior transformed with a scaled logistic sigmoid function. We present a tractable representation of the likelihood through augmentation with a superposition of Poisson processes. This view enables a structured variational approximation capturing dependencies across variables in the model. Our framework avoids discretization of the domain, does not require accurate numerical integration over the input space and is not limited to GPs with squared exponential kernels. We evaluate our approach on synthetic and real-world data showing that its benefits are particularly pronounced on multivariate input settings where it overcomes the limitations of mean-field methods and sampling schemes. We provide the state of-the-art in terms of speed, accuracy and uncertainty quantification trade-offs.

Ayman Boustati, Theodoros Damoulas, Richard S. Savage

We present a multi-task learning formulation for Deep Gaussian processes (DGPs), through non-linear mixtures of latent processes. The latent space is composed of private processes that capture within-task information and shared processes that capture across-task dependencies. We propose two different methods for segmenting the latent space: through hard coding shared and task-specific processes or through soft sharing with Automatic Relevance Determination kernels. We show that our formulation is able to improve the learning performance and transfer information between the tasks, outperforming other probabilistic multi-task learning models across real-world and benchmarking settings.

Jeremias Knoblauch, Jack Jewson, Theodoros Damoulas

We advocate an optimization-centric view on and introduce a novel generalization of Bayesian inference. Our inspiration is the representation of Bayes' rule as infinite-dimensional optimization problem (Csiszar, 1975; Donsker and Varadhan; 1975, Zellner; 1988). First, we use it to prove an optimality result of standard Variational Inference (VI): Under the proposed view, the standard Evidence Lower Bound (ELBO) maximizing VI posterior is preferable to alternative approximations of the Bayesian posterior. Next, we argue for generalizing standard Bayesian inference. The need for this arises in situations of severe misalignment between reality and three assumptions underlying standard Bayesian inference: (1) Well-specified priors, (2) well-specified likelihoods, (3) the availability of infinite computing power. Our generalization addresses these shortcomings with three arguments and is called the Rule of Three (RoT). We derive it axiomatically and recover existing posteriors as special cases, including the Bayesian posterior and its approximation by standard VI. In contrast, approximations based on alternative ELBO-like objectives violate the axioms. Finally, we study a special case of the RoT that we call Generalized Variational Inference (GVI). GVI posteriors are a large and tractable family of belief distributions specified by three arguments: A loss, a divergence and a variational family. GVI posteriors have appealing properties, including consistency and an interpretation as approximate ELBO. The last part of the paper explores some attractive applications of GVI in popular machine learning models, including robustness and more appropriate marginals. After deriving black box inference schemes for GVI posteriors, their predictive performance is investigated on Bayesian Neural Networks and Deep Gaussian Processes, where GVI can comprehensively improve upon existing methods.

Jeremias Knoblauch, Jack Jewson, Theodoros Damoulas

We present the very first robust Bayesian Online Changepoint Detection algorithm through General Bayesian Inference (GBI) with $β$-divergences. The resulting inference procedure is doubly robust for both the parameter and the changepoint (CP) posterior, with linear time and constant space complexity. We provide a construction for exponential models and demonstrate it on the Bayesian Linear Regression model. In so doing, we make two additional contributions: Firstly, we make GBI scalable using Structural Variational approximations that are exact as $β\to 0$. Secondly, we give a principled way of choosing the divergence parameter $β$ by minimizing expected predictive loss on-line. Reducing False Discovery Rates of CPs from more than 90% to 0% on real world data, this offers the state of the art.

Virginia Aglietti, Theodoros Damoulas, Edwin Bonilla

We generalize the log Gaussian Cox process (LGCP) framework to model multiple correlated point data jointly. The observations are treated as realizations of multiple LGCPs, whose log intensities are given by linear combinations of latent functions drawn from Gaussian process priors. The combination coefficients are also drawn from Gaussian processes and can incorporate additional dependencies. We derive closed-form expressions for the moments of the intensity functions and develop an efficient variational inference algorithm that is orders of magnitude faster than competing deterministic and stochastic approximations of multivariate LGCP, coregionalization models, and multi-task permanental processes. Our approach outperforms these benchmarks in multiple problems, offering the current state of the art in modeling multivariate point processes.

Jeremias Knoblauch, Theodoros Damoulas

Bayesian On-line Changepoint Detection is extended to on-line model selection and non-stationary spatio-temporal processes. We propose spatially structured Vector Autoregressions (VARs) for modelling the process between changepoints (CPs) and give an upper bound on the approximation error of such models. The resulting algorithm performs prediction, model selection and CP detection on-line. Its time complexity is linear and its space complexity constant, and thus it is two orders of magnitudes faster than its closest competitor. In addition, it outperforms the state of the art for multivariate data.