Henry W. J. Reeve

Danny Wood, Tingting Mu, Andrew Webb et al.

We present a theory of ensemble diversity, explaining the nature of diversity for a wide range of supervised learning scenarios. This challenge has been referred to as the holy grail of ensemble learning, an open research issue for over 30 years. Our framework reveals that diversity is in fact a hidden dimension in the bias-variance decomposition of the ensemble loss. We prove a family of exact bias-variance-diversity decompositions, for a wide range of losses in both regression and classification, e.g., squared, cross-entropy, and Poisson losses. For losses where an additive bias-variance decomposition is not available (e.g., 0/1 loss) we present an alternative approach: quantifying the effects of diversity, which turn out to be dependent on the label distribution. Overall, we argue that diversity is a measure of model fit, in precisely the same sense as bias and variance, but accounting for statistical dependencies between ensemble members. Thus, we should not be maximising diversity as so many works aim to do -- instead, we have a bias/variance/diversity trade-off to manage.

Josh Givens, Song Liu, Henry W J Reeve

Density Ratio Estimation (DRE) is an important machine learning technique with many downstream applications. We consider the challenge of DRE with missing not at random (MNAR) data. In this setting, we show that using standard DRE methods leads to biased results while our proposal (M-KLIEP), an adaptation of the popular DRE procedure KLIEP, restores consistency. Moreover, we provide finite sample estimation error bounds for M-KLIEP, which demonstrate minimax optimality with respect to both sample size and worst-case missingness. We then adapt an important downstream application of DRE, Neyman-Pearson (NP) classification, to this MNAR setting. Our procedure both controls Type I error and achieves high power, with high probability. Finally, we demonstrate promising empirical performance both synthetic data and real-world data with simulated missingness.

Josh Givens, Song Liu, Henry W J Reeve

Score matching is a vital tool for learning the distribution of data with applications across many areas including diffusion processes, energy based modelling, and graphical model estimation. Despite all these applications, little work explores its use when data is incomplete. We address this by adapting score matching (and its major extensions) to work with missing data in a flexible setting where data can be partially missing over any subset of the coordinates. We provide two separate score matching variations for general use, an importance weighting (IW) approach, and a variational approach. We provide finite sample bounds for our IW approach in finite domain settings and show it to have especially strong performance in small sample lower dimensional cases. Complementing this, we show our variational approach to be strongest in more complex high-dimensional settings which we demonstrate on graphical model estimation tasks on both real and simulated data.

Isabella Degen, Zahraa S Abdallah, Henry W J Reeve et al.

Time series clustering promises to uncover hidden structural patterns in data with applications across healthcare, finance, industrial systems, and other critical domains. However, without validated ground truth information, researchers cannot objectively assess clustering quality or determine whether poor results stem from absent structures in the data, algorithmic limitations, or inappropriate validation methods, raising the question whether clustering is "more art than science" (Guyon et al., 2009). To address these challenges, we introduce CSTS (Correlation Structures in Time Series), a synthetic benchmark for evaluating the discovery of correlation structures in multivariate time series data. CSTS provides a clean benchmark that enables researchers to isolate and identify specific causes of clustering failures by differentiating between correlation structure deterioration and limitations of clustering algorithms and validation methods. Our contributions are: (1) a comprehensive benchmark for correlation structure discovery with distinct correlation structures, systematically varied data conditions, established performance thresholds, and recommended evaluation protocols; (2) empirical validation of correlation structure preservation showing moderate distortion from downsampling and minimal effects from distribution shifts and sparsification; and (3) an extensible data generation framework enabling structure-first clustering evaluation. A case study demonstrates CSTS's practical utility by identifying an algorithm's previously undocumented sensitivity to non-normal distributions, illustrating how the benchmark enables precise diagnosis of methodological limitations. CSTS advances rigorous evaluation standards for correlation-based time series clustering.

Isabella Degen, Zahraa S Abdallah, Kate Robson Brown et al.

Clustering of multivariate time series using correlation-based methods reveals regime changes in relationships between variables across health, finance, and industrial applications. However, validating whether discovered clusters represent distinct relationships rather than arbitrary groupings remains a fundamental challenge. Existing clustering validity indices were developed for Euclidean data, and their effectiveness for correlation patterns has not been systematically evaluated. Unlike Euclidean clustering, where geometric shapes provide discrete reference targets, correlations exist in continuous space without equivalent reference patterns. We address this validation gap by introducing canonical correlation patterns as mathematically defined validation targets that discretise the infinite correlation space into finite, interpretable reference patterns. Using synthetic datasets with perfect ground truth across controlled conditions, we demonstrate that canonical patterns provide reliable validation targets, with L1 norm for mapping and L5 norm for silhouette width criterion and Davies-Bouldin index showing superior performance. These methods are robust to distribution shifts and appropriately detect correlation structure degradation, enabling practical implementation guidelines. This work establishes a methodological foundation for rigorous correlation-based clustering validation in high-stakes domains.

Conor Newton, Ayalvadi Ganesh, Henry W. J. Reeve

We consider a large number of agents collaborating on a multi-armed bandit problem with a large number of arms. The goal is to minimise the regret of each agent in a communication-constrained setting. We present a decentralised algorithm which builds upon and improves the Gossip-Insert-Eliminate method of Chawla et al. arxiv:2001.05452. We provide a theoretical analysis of the regret incurred which shows that our algorithm is asymptotically optimal. In fact, our regret guarantee matches the asymptotically optimal rate achievable in the full communication setting. Finally, we present empirical results which support our conclusions

Henry W. J. Reeve, Timothy I. Cannings, Richard J. Samworth

In clinical trials and other applications, we often see regions of the feature space that appear to exhibit interesting behaviour, but it is unclear whether these observed phenomena are reflected at the population level. Focusing on a regression setting, we consider the subgroup selection challenge of identifying a region of the feature space on which the regression function exceeds a pre-determined threshold. We formulate the problem as one of constrained optimisation, where we seek a low-complexity, data-dependent selection set on which, with a guaranteed probability, the regression function is uniformly at least as large as the threshold; subject to this constraint, we would like the region to contain as much mass under the marginal feature distribution as possible. This leads to a natural notion of regret, and our main contribution is to determine the minimax optimal rate for this regret in both the sample size and the Type I error probability. The rate involves a delicate interplay between parameters that control the smoothness of the regression function, as well as exponents that quantify the extent to which the optimal selection set at the population level can be approximated by families of well-behaved subsets. Finally, we expand the scope of our previous results by illustrating how they may be generalised to a treatment and control setting, where interest lies in the heterogeneous treatment effect.

Henry W. J. Reeve, Timothy I. Cannings, Richard J. Samworth

In transfer learning, we wish to make inference about a target population when we have access to data both from the distribution itself, and from a different but related source distribution. We introduce a flexible framework for transfer learning in the context of binary classification, allowing for covariate-dependent relationships between the source and target distributions that are not required to preserve the Bayes decision boundary. Our main contributions are to derive the minimax optimal rates of convergence (up to poly-logarithmic factors) in this problem, and show that the optimal rate can be achieved by an algorithm that adapts to key aspects of the unknown transfer relationship, as well as the smoothness and tail parameters of our distributional classes. This optimal rate turns out to have several regimes, depending on the interplay between the relative sample sizes and the strength of the transfer relationship, and our algorithm achieves optimality by careful, decision tree-based calibration of local nearest-neighbour procedures.

Henry W. J. Reeve, Ata Kaban

We present a framework for the theoretical analysis of ensembles of low-complexity empirical risk minimisers trained on independent random compressions of high-dimensional data. First we introduce a general distribution-dependent upper-bound on the excess risk, framed in terms of a natural notion of compressibility. This bound is independent of the dimension of the original data representation, and explains the in-built regularisation effect of the compressive approach. We then instantiate this general bound to classification and regression tasks, considering Johnson-Lindenstrauss mappings as the compression scheme. For each of these tasks, our strategy is to develop a tight upper bound on the compressibility function, and by doing so we discover distributional conditions of geometric nature under which the compressive algorithm attains minimax-optimal rates up to at most poly-logarithmic factors. In the case of compressive classification, this is achieved with a mild geometric margin condition along with a flexible moment condition that is significantly more general than the assumption of bounded domain. In the case of regression with strongly convex smooth loss functions we find that compressive regression is capable of exploiting spectral decay with near-optimal guarantees. In addition, a key ingredient for our central upper bound is a high probability uniform upper bound on the integrated deviation of dependent empirical processes, which may be of independent interest.

Henry WJ Reeve, Ata Kaban

We investigate the challenge of multi-output learning, where the goal is to learn a vector-valued function based on a supervised data set. This includes a range of important problems in Machine Learning including multi-target regression, multi-class classification and multi-label classification. We begin our analysis by introducing the self-bounding Lipschitz condition for multi-output loss functions, which interpolates continuously between a classical Lipschitz condition and a multi-dimensional analogue of a smoothness condition. We then show that the self-bounding Lipschitz condition gives rise to optimistic bounds for multi-output learning, which are minimax optimal up to logarithmic factors. The proof exploits local Rademacher complexity combined with a powerful minoration inequality due to Srebro, Sridharan and Tewari. As an application we derive a state-of-the-art generalization bound for multi-class gradient boosting.

Nikolaos Nikolaou, Henry Reeve, Gavin Brown

The ultimate goal of a supervised learning algorithm is to produce models constructed on the training data that can generalize well to new examples. In classification, functional margin maximization -- correctly classifying as many training examples as possible with maximal confidence --has been known to construct models with good generalization guarantees. This work gives an information-theoretic interpretation of a margin maximizing model on a noiseless training dataset as one that achieves lossless maximal compression of said dataset -- i.e. extracts from the features all the useful information for predicting the label and no more. The connection offers new insights on generalization in supervised machine learning, showing margin maximization as a special case (that of classification) of a more general principle and explains the success and potential limitations of popular learning algorithms like gradient boosting. We support our observations with theoretical arguments and empirical evidence and identify interesting directions for future work.

Henry W. J. Reeve, Ata Kaban

We consider classification in the presence of class-dependent asymmetric label noise with unknown noise probabilities. In this setting, identifiability conditions are known, but additional assumptions were shown to be required for finite sample rates, and so far only the parametric rate has been obtained. Assuming these identifiability conditions, together with a measure-smoothness condition on the regression function and Tsybakov's margin condition, we show that the Robust kNN classifier of Gao et al. attains, the minimax optimal rates of the noise-free setting, up to a log factor, even when trained on data with unknown asymmetric label noise. Hence, our results provide a solid theoretical backing for this empirically successful algorithm. By contrast the standard kNN is not even consistent in the setting of asymmetric label noise. A key idea in our analysis is a simple kNN based method for estimating the maximum of a function that requires far less assumptions than existing mode estimators do, and which may be of independent interest for noise proportion estimation and randomised optimisation problems.

Henry W J Reeve, Ata Kaban

We investigate the problem of classification in the presence of unknown class-conditional label noise in which the labels observed by the learner have been corrupted with some unknown class dependent probability. In order to obtain finite sample rates, previous approaches to classification with unknown class-conditional label noise have required that the regression function is close to its extrema on sets of large measure. We shall consider this problem in the setting of non-compact metric spaces, where the regression function need not attain its extrema. In this setting we determine the minimax optimal learning rates (up to logarithmic factors). The rate displays interesting threshold behaviour: When the regression function approaches its extrema at a sufficient rate, the optimal learning rates are of the same order as those obtained in the label-noise free setting. If the regression function approaches its extrema more gradually then classification performance necessarily degrades. In addition, we present an adaptive algorithm which attains these rates without prior knowledge of either the distributional parameters or the local density. This identifies for the first time a scenario in which finite sample rates are achievable in the label noise setting, but they differ from the optimal rates without label noise.

Andrew M. Webb, Charles Reynolds, Wenlin Chen et al.

End-to-End training (E2E) is becoming more and more popular to train complex Deep Network architectures. An interesting question is whether this trend will continue-are there any clear failure cases for E2E training? We study this question in depth, for the specific case of E2E training an ensemble of networks. Our strategy is to blend the gradient smoothly in between two extremes: from independent training of the networks, up to to full E2E training. We find clear failure cases, where over-parameterized models cannot be trained E2E. A surprising result is that the optimum can sometimes lie in between the two, neither an ensemble or an E2E system. The work also uncovers links to Dropout, and raises questions around the nature of ensemble diversity and multi-branch networks.

Henry WJ Reeve, Gavin Brown

Ensemble methods are a cornerstone of modern machine learning. The performance of an ensemble depends crucially upon the level of diversity between its constituent learners. This paper establishes a connection between diversity and degrees of freedom (i.e. the capacity of the model), showing that diversity may be viewed as a form of inverse regularisation. This is achieved by focusing on a previously published algorithm Negative Correlation Learning (NCL), in which model diversity is explicitly encouraged through a diversity penalty term in the loss function. We provide an exact formula for the effective degrees of freedom in an NCL ensemble with fixed basis functions, showing that it is a continuous, convex and monotonically increasing function of the diversity parameter. We demonstrate a connection to Tikhonov regularisation and show that, with an appropriately chosen diversity parameter, an NCL ensemble can always outperform the unregularised ensemble in the presence of noise. We demonstrate the practical utility of our approach by deriving a method to efficiently tune the diversity parameter. Finally, we use a Monte-Carlo estimator to extend the connection between diversity and degrees of freedom to ensembles of deep neural networks.

Henry WJ Reeve, Gavin Brown

We study the approximate nearest neighbour method for cost-sensitive classification on low-dimensional manifolds embedded within a high-dimensional feature space. We determine the minimax learning rates for distributions on a smooth manifold, in a cost-sensitive setting. This generalises a classic result of Audibert and Tsybakov. Building upon recent work of Chaudhuri and Dasgupta we prove that these minimax rates are attained by the approximate nearest neighbour algorithm, where neighbours are computed in a randomly projected low-dimensional space. In addition, we give a bound on the number of dimensions required for the projection which depends solely upon the reach and dimension of the manifold, combined with the regularity of the marginal.

Henry W J Reeve, Gavin Brown

We introduce the concept of a Modular Autoencoder (MAE), capable of learning a set of diverse but complementary representations from unlabelled data, that can later be used for supervised tasks. The learning of the representations is controlled by a trade off parameter, and we show on six benchmark datasets the optimum lies between two extremes: a set of smaller, independent autoencoders each with low capacity, versus a single monolithic encoding, outperforming an appropriate baseline. In the present paper we explore the special case of linear MAE, and derive an SVD-based algorithm which converges several orders of magnitude faster than gradient descent.