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Dino Sejdinovic

Dino Sejdinovic contributes to research discovery and scholarly infrastructure.

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Published work

20 published item(s)

preprint2026arXiv

Measuring Differences between Conditional Distributions using Kernel Embeddings

Comparing conditional distributions is a fundamental challenge in statistics and machine learning, with applications across a wide range of domains. While proposed methods for measuring discrepancies using kernel embeddings of distributions in a reproducing kernel Hilbert space (RKHS) provide powerful non-parametric techniques, the existing literature remains fragmented and lacks a unified theoretical treatment. This paper addresses this gap by establishing a coherent framework for studying kernel-based methods to measure divergence between conditional distributions through what we refer to as conditional maximum mean discrepancy (CMMD). The CMMD consists of a family of metrics which we call levels, with three special cases each using a different type of RKHS embedding: CMMD$_0$ (conditional mean operators), CMMD$_1$ (conditional mean embeddings), and CMMD$_2$ (joint mean embeddings). We additionally introduce a general level $s$ CMMD, clarifying the required assumptions, and establishing mathematical connections between the levels through the lens of operator-based smoothing. In addition to reviewing previously proposed estimators, we introduce a novel doubly robust estimator for the CMMD that maintains consistency provided at least one of the underlying models is correctly specified. We provide numerical experiments demonstrating that the CMMD effectively captures complex conditional dependencies for statistical testing.

preprint2026arXiv

Uncertainty-Guided Edge Learning for Deep Image Regression in Remote Sensing

Edge learning refers to training machine learning models deployed on edge platforms, typically using new data accumulated onboard. The computational limitations on edge devices affect not only model optimisation, but also calculation of the predictive uncertainty of the current model on the unlabelled data, which is vital for informing model updating. In this paper, we investigate edge learning in the context of performing deep image regression on a remote sensing satellite, where a deep network is executed by an onboard computer to regress a scalar $y$ from an input image, e.g., $y$ is the percentage of pixels indicating cloud coverage or land use. We propose an uncertainty-guided edge learning (UGEL) algorithm that can accurately prioritise the data to speed up training convergence of the on-board regression model. Underpinning UGEL is the calculation of predictive uncertainty based on deep beta regression, where a deep network is used to estimate the parameters of a beta distribution for which the target $y$ for an input image has a high likelihood. Compared to established methods for uncertainty estimation that are either too costly on edge devices (e.g., require many forward passes per sample) or make strict assumptions on the predictive distribution (e.g., Gaussian), deep beta regression is computable in a single forward pass and allows more general predictive distributions. Results show that UGEL delivers faster-converging edge learning than active or semi-supervised learning. Code and models are publicly available at https://github.com/anh-vunguyen/UGEL.

preprint2022arXiv

Aggregated Gaussian Processes with Multiresolution Earth Observation Covariates

For many survey-based spatial modelling problems, responses are observed as spatially aggregated over survey regions due to limited resources. Covariates, from weather models and satellite imageries, can be observed at many different spatial resolutions, making the pre-processing of covariates a key challenge for any spatial modelling task. We propose a Gaussian process regression model to flexibly handle multiresolution covariates by employing an additive kernel that can efficiently aggregate features across resolutions. Compared to existing approaches that rely on resolution matching, our approach better maintains distributional information across resolutions, leading to better performance and interpretability. Our model yields stronger predictive performance and interpretability on both simulated and crop yield datasets.

preprint2022arXiv

AODisaggregation: toward global aerosol vertical profiles

Aerosol-cloud interactions constitute the largest source of uncertainty in assessments of the anthropogenic climate change. This uncertainty arises in part from the difficulty in measuring the vertical distributions of aerosols, and only sporadic vertically resolved observations are available. We often have to settle for less informative vertically aggregated proxies such as aerosol optical depth (AOD). In this work, we develop a framework for the vertical disaggregation of AOD into extinction profiles, i.e. the measure of light extinction throughout an atmospheric column, using readily available vertically resolved meteorological predictors such as temperature, pressure or relative humidity. Using Bayesian nonparametric modelling, we devise a simple Gaussian process prior over aerosol vertical profiles and update it with AOD observations to infer a distribution over vertical extinction profiles. To validate our approach, we use ECHAM-HAM aerosol-climate model data which offers self-consistent simulations of meteorological covariates, AOD and extinction profiles. Our results show that, while very simple, our model is able to reconstruct realistic extinction profiles with well-calibrated uncertainty, outperforming by an order of magnitude the idealized baseline which is typically used in satellite AOD retrieval algorithms. In particular, the model demonstrates a faithful reconstruction of extinction patterns arising from aerosol water uptake in the boundary layer. Observations however suggest that other extinction patterns, due to aerosol mass concentration, particle size and radiative properties, might be more challenging to capture and require additional vertically resolved predictors.

preprint2022arXiv

Bayesian Kernel Two-Sample Testing

In modern data analysis, nonparametric measures of discrepancies between random variables are particularly important. The subject is well-studied in the frequentist literature, while the development in the Bayesian setting is limited where applications are often restricted to univariate cases. Here, we propose a Bayesian kernel two-sample testing procedure based on modelling the difference between kernel mean embeddings in the reproducing kernel Hilbert space utilising the framework established by Flaxman et al (2016). The use of kernel methods enables its application to random variables in generic domains beyond the multivariate Euclidean spaces. The proposed procedure results in a posterior inference scheme that allows an automatic selection of the kernel parameters relevant to the problem at hand. In a series of synthetic experiments and two real data experiments (i.e. testing network heterogeneity from high-dimensional data and six-membered monocyclic ring conformation comparison), we illustrate the advantages of our approach.

preprint2022arXiv

Discussion of `Multiscale Fisher's Independence Test for Multivariate Dependence'

We discuss how MultiFIT, the Multiscale Fisher's Independence Test for Multivariate Dependence proposed by Gorsky and Ma (2022), compares to existing linear-time kernel tests based on the Hilbert-Schmidt independence criterion (HSIC). We highlight the fact that the levels of the kernel tests at any finite sample size can be controlled exactly, as it is the case with the level of MultiFIT. In our experiments, we observe some of the performance limitations of MultiFIT in terms of test power.

preprint2022arXiv

Kernel Biclustering algorithm in Hilbert Spaces

Biclustering algorithms partition data and covariates simultaneously, providing new insights in several domains, such as analyzing gene expression to discover new biological functions. This paper develops a new model-free biclustering algorithm in abstract spaces using the notions of energy distance (ED) and the maximum mean discrepancy (MMD) -- two distances between probability distributions capable of handling complex data such as curves or graphs. The proposed method can learn more general and complex cluster shapes than most existing literature approaches, which usually focus on detecting mean and variance differences. Although the biclustering configurations of our approach are constrained to create disjoint structures at the datum and covariate levels, the results are competitive. Our results are similar to state-of-the-art methods in their optimal scenarios, assuming a proper kernel choice, outperforming them when cluster differences are concentrated in higher-order moments. The model's performance has been tested in several situations that involve simulated and real-world datasets. Finally, new theoretical consistency results are established using some tools of the theory of optimal transport.

preprint2022arXiv

Learning Inconsistent Preferences with Gaussian Processes

We revisit widely used preferential Gaussian processes by Chu et al.(2005) and challenge their modelling assumption that imposes rankability of data items via latent utility function values. We propose a generalisation of pgp which can capture more expressive latent preferential structures in the data and thus be used to model inconsistent preferences, i.e. where transitivity is violated, or to discover clusters of comparable items via spectral decomposition of the learned preference functions. We also consider the properties of associated covariance kernel functions and its reproducing kernel Hilbert Space (RKHS), giving a simple construction that satisfies universality in the space of preference functions. Finally, we provide an extensive set of numerical experiments on simulated and real-world datasets showcasing the competitiveness of our proposed method with state-of-the-art. Our experimental findings support the conjecture that violations of rankability are ubiquitous in real-world preferential data.

preprint2022arXiv

RKHS-SHAP: Shapley Values for Kernel Methods

Feature attribution for kernel methods is often heuristic and not individualised for each prediction. To address this, we turn to the concept of Shapley values~(SV), a coalition game theoretical framework that has previously been applied to different machine learning model interpretation tasks, such as linear models, tree ensembles and deep networks. By analysing SVs from a functional perspective, we propose \textsc{RKHS-SHAP}, an attribution method for kernel machines that can efficiently compute both \emph{Interventional} and \emph{Observational Shapley values} using kernel mean embeddings of distributions. We show theoretically that our method is robust with respect to local perturbations - a key yet often overlooked desideratum for consistent model interpretation. Further, we propose \emph{Shapley regulariser}, applicable to a general empirical risk minimisation framework, allowing learning while controlling the level of specific feature's contributions to the model. We demonstrate that the Shapley regulariser enables learning which is robust to covariate shift of a given feature and fair learning which controls the SVs of sensitive features.

preprint2022arXiv

Spectral Ranking with Covariates

We consider spectral approaches to the problem of ranking n players given their incomplete and noisy pairwise comparisons, but revisit this classical problem in light of player covariate information. We propose three spectral ranking methods that incorporate player covariates and are based on seriation, low-rank structure assumption and canonical correlation, respectively. Extensive numerical simulations on both synthetic and real-world data sets demonstrated that our proposed methods compare favorably to existing state-of-the-art covariate-based ranking algorithms.

preprint2022arXiv

Survival Regression with Proper Scoring Rules and Monotonic Neural Networks

We consider frequently used scoring rules for right-censored survival regression models such as time-dependent concordance, survival-CRPS, integrated Brier score and integrated binomial log-likelihood, and prove that neither of them is a proper scoring rule. This means that the true survival distribution may be scored worse than incorrect distributions, leading to inaccurate estimation. We prove that, in contrast to these scores, the right-censored log-likelihood is a proper scoring rule, i.e., the highest expected score is achieved by the true distribution. Despite this, modern feed-forward neural-network-based survival regression models are unable to train and validate directly on the right-censored log-likelihood, due to its intractability, and resort to the aforementioned alternatives, i.e., non-proper scoring rules. We therefore propose a simple novel survival regression method capable of directly optimizing log-likelihood using a monotonic restriction on the time-dependent weights, coined SurvivalMonotonic-net (SuMo-net). SuMo-net achieves state-of-the-art log-likelihood scores across several datasets with 20--100$\times$ computational speedup on inference over existing state-of-the-art neural methods, and is readily applicable to datasets with several million observations.

preprint2021arXiv

Bayesian Approaches to Distribution Regression

Distribution regression has recently attracted much interest as a generic solution to the problem of supervised learning where labels are available at the group level, rather than at the individual level. Current approaches, however, do not propagate the uncertainty in observations due to sampling variability in the groups. This effectively assumes that small and large groups are estimated equally well, and should have equal weight in the final regression. We account for this uncertainty with a Bayesian distribution regression formalism, improving the robustness and performance of the model when group sizes vary. We frame our models in a neural network style, allowing for simple MAP inference using backpropagation to learn the parameters, as well as MCMC-based inference which can fully propagate uncertainty. We demonstrate our approach on illustrative toy datasets, as well as on a challenging problem of predicting age from images.

preprint2021arXiv

Benign Overfitting and Noisy Features

Modern machine learning often operates in the regime where the number of parameters is much higher than the number of data points, with zero training loss and yet good generalization, thereby contradicting the classical bias-variance trade-off. This \textit{benign overfitting} phenomenon has recently been characterized using so called \textit{double descent} curves where the risk undergoes another descent (in addition to the classical U-shaped learning curve when the number of parameters is small) as we increase the number of parameters beyond a certain threshold. In this paper, we examine the conditions under which \textit{Benign Overfitting} occurs in the random feature (RF) models, i.e. in a two-layer neural network with fixed first layer weights. We adopt a new view of random feature and show that \textit{benign overfitting} arises due to the noise which resides in such features (the noise may already be present in the data and propagate to the features or it may be added by the user to the features directly) and plays an important implicit regularization role in the phenomenon.

preprint2021arXiv

Meta Learning for Causal Direction

The inaccessibility of controlled randomized trials due to inherent constraints in many fields of science has been a fundamental issue in causal inference. In this paper, we focus on distinguishing the cause from effect in the bivariate setting under limited observational data. Based on recent developments in meta learning as well as in causal inference, we introduce a novel generative model that allows distinguishing cause and effect in the small data setting. Using a learnt task variable that contains distributional information of each dataset, we propose an end-to-end algorithm that makes use of similar training datasets at test time. We demonstrate our method on various synthetic as well as real-world data and show that it is able to maintain high accuracy in detecting directions across varying dataset sizes.

preprint2021arXiv

Noise Contrastive Meta-Learning for Conditional Density Estimation using Kernel Mean Embeddings

Current meta-learning approaches focus on learning functional representations of relationships between variables, i.e. on estimating conditional expectations in regression. In many applications, however, we are faced with conditional distributions which cannot be meaningfully summarized using expectation only (due to e.g. multimodality). Hence, we consider the problem of conditional density estimation in the meta-learning setting. We introduce a novel technique for meta-learning which combines neural representation and noise-contrastive estimation with the established literature of conditional mean embeddings into reproducing kernel Hilbert spaces. The method is validated on synthetic and real-world problems, demonstrating the utility of sharing learned representations across multiple conditional density estimation tasks.

preprint2021arXiv

Towards A Unified Analysis of Random Fourier Features

Random Fourier features is a widely used, simple, and effective technique for scaling up kernel methods. The existing theoretical analysis of the approach, however, remains focused on specific learning tasks and typically gives pessimistic bounds which are at odds with the empirical results. We tackle these problems and provide the first unified risk analysis of learning with random Fourier features using the squared error and Lipschitz continuous loss functions. In our bounds, the trade-off between the computational cost and the expected risk convergence rate is problem specific and expressed in terms of the regularization parameter and the \emph{number of effective degrees of freedom}. We study both the standard random Fourier features method for which we improve the existing bounds on the number of features required to guarantee the corresponding minimax risk convergence rate of kernel ridge regression, as well as a data-dependent modification which samples features proportional to \emph{ridge leverage scores} and further reduces the required number of features. As ridge leverage scores are expensive to compute, we devise a simple approximation scheme which provably reduces the computational cost without loss of statistical efficiency.

preprint2020arXiv

A Perspective on Gaussian Processes for Earth Observation

Earth observation (EO) by airborne and satellite remote sensing and in-situ observations play a fundamental role in monitoring our planet. In the last decade, machine learning and Gaussian processes (GPs) in particular has attained outstanding results in the estimation of bio-geo-physical variables from the acquired images at local and global scales in a time-resolved manner. GPs provide not only accurate estimates but also principled uncertainty estimates for the predictions, can easily accommodate multimodal data coming from different sensors and from multitemporal acquisitions, allow the introduction of physical knowledge, and a formal treatment of uncertainty quantification and error propagation. Despite great advances in forward and inverse modelling, GP models still have to face important challenges that are revised in this perspective paper. GP models should evolve towards data-driven physics-aware models that respect signal characteristics, be consistent with elementary laws of physics, and move from pure regression to observational causal inference.

preprint2020arXiv

Consistency of permutation tests for HSIC and dHSIC

The Hilbert--Schmidt Independence Criterion (HSIC) is a popular measure of the dependency between two random variables. The statistic dHSIC is an extension of HSIC that can be used to test joint independence of $d$ random variables. Such hypothesis testing for (joint) independence is often done using a permutation test, which compares the observed data with randomly permuted datasets. The main contribution of this work is proving that the power of such independence tests converges to 1 as the sample size converges to infinity. This answers a question that was asked in (Pfister, 2018) Additionally this work proves correct type 1 error rate of HSIC and dHSIC permutation tests and provides guidance on how to select the number of permutations one uses in practice. While correct type 1 error rate was already proved in (Pfister, 2018), we provide a modified proof following (Berrett, 2019), which extends to the case of non-continuous data. The number of permutations to use was studied e.g. by (Marozzi, 2004) but not in the context of HSIC and with a slight difference in the estimate of the $p$-value and for permutations rather than vectors of permutations. While the last two points have limited novelty we include these to give a complete overview of permutation testing in the context of HSIC and dHSIC.

preprint2020arXiv

Discussion of "Functional Models for Time-Varying Random Objects'' by Dubey and Müller

The discussion focuses on metric covariance, a new association measure between paired random objects in a metric space, developed by Dubey and Müller, and on its relationship with other similar concepts which have previously appeared in the literature, including distance covariance by Székely et al, as well as its generalisations which rely on the formalism of reproducing kernel Hilbert spaces (RKHS).

preprint2020arXiv

Large Scale Tensor Regression using Kernels and Variational Inference

We outline an inherent weakness of tensor factorization models when latent factors are expressed as a function of side information and propose a novel method to mitigate this weakness. We coin our method \textit{Kernel Fried Tensor}(KFT) and present it as a large scale forecasting tool for high dimensional data. Our results show superior performance against \textit{LightGBM} and \textit{Field Aware Factorization Machines}(FFM), two algorithms with proven track records widely used in industrial forecasting. We also develop a variational inference framework for KFT and associate our forecasts with calibrated uncertainty estimates on three large scale datasets. Furthermore, KFT is empirically shown to be robust against uninformative side information in terms of constants and Gaussian noise.