Clayton Scott

Jianxin Zhang, Yutong Wang, Clayton Scott

Learning from label proportions (LLP) is a weakly supervised classification problem where data points are grouped into bags, and the label proportions within each bag are observed instead of the instance-level labels. The task is to learn a classifier to predict the individual labels of future individual instances. Prior work on LLP for multi-class data has yet to develop a theoretically grounded algorithm. In this work, we provide a theoretically grounded approach to LLP based on a reduction to learning with label noise, using the forward correction (FC) loss of \citet{Patrini2017MakingDN}. We establish an excess risk bound and generalization error analysis for our approach, while also extending the theory of the FC loss which may be of independent interest. Our approach demonstrates improved empirical performance in deep learning scenarios across multiple datasets and architectures, compared to the leading existing methods.

Yilun Zhu, Aaron Fjeldsted, Darren Holland et al.

The task of mixture proportion estimation (MPE) is to estimate the weight of a component distribution in a mixture, given observations from both the component and mixture. Previous work on MPE adopts the irreducibility assumption, which ensures identifiablity of the mixture proportion. In this paper, we propose a more general sufficient condition that accommodates several settings of interest where irreducibility does not hold. We further present a resampling-based meta-algorithm that takes any existing MPE algorithm designed to work under irreducibility and adapts it to work under our more general condition. Our approach empirically exhibits improved estimation performance relative to baseline methods and to a recently proposed regrouping-based algorithm.

Yutong Wang, Clayton Scott

The notion of margin loss has been central to the development and analysis of algorithms for binary classification. To date, however, there remains no consensus as to the analogue of the margin loss for multiclass classification. In this work, we show that a broad range of multiclass loss functions, including many popular ones, can be expressed in the relative margin form, a generalization of the margin form of binary losses. The relative margin form is broadly useful for understanding and analyzing multiclass losses as shown by our prior work (Wang and Scott, 2020, 2021). To further demonstrate the utility of this way of expressing multiclass losses, we use it to extend the seminal result of Bartlett et al. (2006) on classification-calibration of binary margin losses to multiclass. We then analyze the class of Fenchel-Young losses, and expand the set of these losses that are known to be classification-calibrated.

Hrithik Ravi, Clayton Scott, Daniel Soudry et al.

Implicit bias describes the phenomenon where optimization-based training algorithms, without explicit regularization, show a preference for simple estimators even when more complex estimators have equal objective values. Multiple works have developed the theory of implicit bias for binary classification under the assumption that the loss satisfies an exponential tail property. However, there is a noticeable gap in analysis for multiclass classification, with only a handful of results which themselves are restricted to the cross-entropy loss. In this work, we employ the framework of Permutation Equivariant and Relative Margin-based (PERM) losses [Wang and Scott, 2024] to introduce a multiclass extension of the exponential tail property. This class of losses includes not only cross-entropy but also other losses. Using this framework, we extend the implicit bias result of Soudry et al. [2018] to multiclass classification. Furthermore, our proof techniques closely mirror those of the binary case, thus illustrating the power of the PERM framework for bridging the binary-multiclass gap.

Yilun Zhu, Jianxin Zhang, Aditya Gangrade et al.

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of \emph{relative signal strength} (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple \emph{Noise Ignorant Empirical Risk Minimization (NI-ERM)} principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

Matt Raymond, Jacob Charles Saldinger, Paolo Elvati et al.

Extracting meaningful features from complex, high-dimensional datasets across scientific domains remains challenging. Current methods often struggle with scalability, limiting their applicability to large datasets, or make restrictive assumptions about feature-property relationships, hindering their ability to capture complex interactions. BoUTS's general and scalable feature selection algorithm surpasses these limitations to identify both universal features relevant to all datasets and task-specific features predictive for specific subsets. Evaluated on seven diverse chemical regression datasets, BoUTS achieves state-of-the-art feature sparsity while maintaining prediction accuracy comparable to specialized methods. Notably, BoUTS's universal features enable domain-specific knowledge transfer between datasets, and suggest deep connections in seemingly-disparate chemical datasets. We expect these results to have important repercussions in manually-guided inverse problems. Beyond its current application, BoUTS holds immense potential for elucidating data-poor systems by leveraging information from similar data-rich systems. BoUTS represents a significant leap in cross-domain feature selection, potentially leading to advancements in various scientific fields.

Yilun Zhu, Naihao Deng, Naichen Shi et al.

Domain generalization (DG) is the problem of generalizing from several distributions (or domains), for which labeled training data are available, to a new test domain for which no labeled data is available. A common finding in the DG literature is that it is difficult to outperform empirical risk minimization (ERM) on the pooled training data. In this work, we argue that this finding has primarily been reported for datasets satisfying a \emph{covariate shift} assumption. When the dataset satisfies a \emph{posterior drift} assumption instead, we show that ``domain-informed ERM,'' wherein feature vectors are augmented with domain-specific information, outperforms pooling ERM. These claims are supported by a theoretical framework and experiments on language and vision tasks.

Jianxin Zhang, Clayton Scott

Editing the content of an image with a pretrained text-to-image model remains challenging. Existing methods often distort fine details or introduce unintended artifacts. We propose using coupled stochastic differential equations (coupled SDEs) to guide the sampling process of any pre-trained generative model that can be sampled by solving an SDE, including diffusion and rectified flow models. By driving both the source image and the edited image with the same correlated noise, our approach steers new samples toward the desired semantics while preserving visual similarity to the source. The method works out-of-the-box-without retraining or auxiliary networks-and achieves high prompt fidelity along with near-pixel-level consistency. These results position coupled SDEs as a simple yet powerful tool for controlled generative AI.

Jianxin Zhang, Clayton Scott

Many generative models originally developed in finite-dimensional Euclidean space have functional generalizations in infinite-dimensional settings. However, the extension of rectified flow to infinite-dimensional spaces remains unexplored. In this work, we establish a rigorous functional formulation of rectified flow in an infinite-dimensional Hilbert space. Our approach builds upon the superposition principle for continuity equations in an infinite-dimensional space. We further show that this framework extends naturally to functional flow matching and functional probability flow ODEs, interpreting them as nonlinear generalizations of rectified flow. Notably, our extension to functional flow matching removes the restrictive measure-theoretic assumptions in the existing theory of \citet{kerrigan2024functional}. Furthermore, we demonstrate experimentally that our method achieves superior performance compared to existing functional generative models.

Aditya Gangrade, Aditya Gopalan, Venkatesh Saligrama et al.

While the recent literature has seen a surge in the study of constrained bandit problems, all existing methods for these begin by assuming the feasibility of the underlying problem. We initiate the study of testing such feasibility assumptions, and in particular address the problem in the linear bandit setting, thus characterising the costs of feasibility testing for an unknown linear program using bandit feedback. Concretely, we test if $\exists x: Ax \ge 0$ for an unknown $A \in \mathbb{R}^{m \times d}$, by playing a sequence of actions $x_t\in \mathbb{R}^d$, and observing $Ax_t + \mathrm{noise}$ in response. By identifying the hypothesis as determining the sign of the value of a minimax game, we construct a novel test based on low-regret algorithms and a nonasymptotic law of iterated logarithms. We prove that this test is reliable, and adapts to the `signal level,' $Γ,$ of any instance, with mean sample costs scaling as $\widetilde{O}(d^2/Γ^2)$. We complement this by a minimax lower bound of $Ω(d/Γ^2)$ for sample costs of reliable tests, dominating prior asymptotic lower bounds by capturing the dependence on $d$, and thus elucidating a basic insight missing in the extant literature on such problems.

Matt Raymond, Angela Violi, Clayton Scott

Tree ensembles achieve state-of-the-art performance on numerous prediction tasks. We propose $\textbf{J}$oint $\textbf{O}$ptimization of $\textbf{P}$iecewise $\textbf{L}$inear $\textbf{En}$sembles (JOPLEn), which jointly fits piecewise linear models at all leaf nodes of an existing tree ensemble. In addition to enhancing the ensemble expressiveness, JOPLEn allows several common penalties, including sparsity-promoting and subspace-norms, to be applied to nonlinear prediction. For example, JOPLEn with a nuclear norm penalty learns subspace-aligned functions. Additionally, JOPLEn (combined with a Dirty LASSO penalty) is an effective feature selection method for nonlinear prediction in multitask learning. Finally, we demonstrate the performance of JOPLEn on 153 regression and classification datasets and with a variety of penalties. JOPLEn leads to improved prediction performance relative to not only standard random forest and boosted tree ensembles, but also other methods for enhancing tree ensembles.

Jianxin Zhang, Clayton Scott

Label embedding is a framework for multiclass classification problems where each label is represented by a distinct vector of some fixed dimension, and training involves matching model output to the vector representing the correct label. While label embedding has been successfully applied in extreme classification and zero-shot learning, and offers both computational and statistical advantages, its theoretical foundations remain poorly understood. This work presents an analysis of label embedding in the context of extreme multiclass classification, where the number of classes $C$ is very large. We present an excess risk bound that reveals a trade-off between computational and statistical efficiency, quantified via the coherence of the embedding matrix. We further show that under the Massart noise condition, the statistical penalty for label embedding vanishes with sufficiently low coherence. Our analysis supports an algorithm that is simple, scalable, and easily parallelizable, and experimental results demonstrate its effectiveness in large-scale applications.

Alexander Ritchie, Laura Balzano, Daniel Kessler et al.

Methods for supervised principal component analysis (SPCA) aim to incorporate label information into principal component analysis (PCA), so that the extracted features are more useful for a prediction task of interest. Prior work on SPCA has focused primarily on optimizing prediction error, and has neglected the value of maximizing variance explained by the extracted features. We propose a new method for SPCA that addresses both of these objectives jointly, and demonstrate empirically that our approach dominates existing approaches, i.e., outperforms them with respect to both prediction error and variation explained. Our approach accommodates arbitrary supervised learning losses and, through a statistical reformulation, provides a novel low-rank extension of generalized linear models.

Alexander Ritchie, Robert A. Vandermeulen, Clayton Scott

Recent research has established sufficient conditions for finite mixture models to be identifiable from grouped observations. These conditions allow the mixture components to be nonparametric and have substantial (or even total) overlap. This work proposes an algorithm that consistently estimates any identifiable mixture model from grouped observations. Our analysis leverages an oracle inequality for weighted kernel density estimators of the distribution on groups, together with a general result showing that consistent estimation of the distribution on groups implies consistent estimation of mixture components. A practical implementation is provided for paired observations, and the approach is shown to outperform existing methods, especially when mixture components overlap significantly.

Clayton Scott, Jianxin Zhang

Learning from label proportions (LLP) is a weakly supervised setting for classification in which unlabeled training instances are grouped into bags, and each bag is annotated with the proportion of each class occurring in that bag. Prior work on LLP has yet to establish a consistent learning procedure, nor does there exist a theoretically justified, general purpose training criterion. In this work we address these two issues by posing LLP in terms of mutual contamination models (MCMs), which have recently been applied successfully to study various other weak supervision settings. In the process, we establish several novel technical results for MCMs, including unbiased losses and generalization error bounds under non-iid sampling plans. We also point out the limitations of a common experimental setting for LLP, and propose a new one based on our MCM framework.

Han Bao, Clayton Scott, Masashi Sugiyama

Adversarially robust classification seeks a classifier that is insensitive to adversarial perturbations of test patterns. This problem is often formulated via a minimax objective, where the target loss is the worst-case value of the 0-1 loss subject to a bound on the size of perturbation. Recent work has proposed convex surrogates for the adversarial 0-1 loss, in an effort to make optimization more tractable. A primary question is that of consistency, that is, whether minimization of the surrogate risk implies minimization of the adversarial 0-1 risk. In this work, we analyze this question through the lens of calibration, which is a pointwise notion of consistency. We show that no convex surrogate loss is calibrated with respect to the adversarial 0-1 loss when restricted to the class of linear models. We further introduce a class of nonconvex losses and offer necessary and sufficient conditions for losses in this class to be calibrated. We also show that if the underlying distribution satisfies Massart's noise condition, convex losses can also be calibrated in the adversarial setting.

Clayton Scott, Jianxin Zhang

We study binary classification in the setting where the learner is presented with multiple corrupted training samples, with possibly different sample sizes and degrees of corruption, and introduce an approach based on minimizing a weighted combination of corruption-corrected empirical risks. We establish a generalization error bound, and further show that the bound is optimized when the weights are certain interpretable and intuitive functions of the sample sizes and degrees of corruptions. We then apply this setting to the problem of learning with label proportions (LLP), and propose an algorithm that enjoys the most general statistical performance guarantees known for LLP. Experiments demonstrate the utility of our theory.

Yuren Zhong, Aniket Anand Deshmukh, Clayton Scott

This work studies reinforcement learning in the Sim-to-Real setting, in which an agent is first trained on a number of simulators before being deployed in the real world, with the aim of decreasing the real-world sample complexity requirement. Using a dynamic model known as a rich observation Markov decision process (ROMDP), we formulate a theoretical framework for Sim-to-Real in the situation where feedback in the real world is not available. We establish real-world sample complexity guarantees that are smaller than what is currently known for directly (i.e., without access to simulators) learning a ROMDP with feedback.

Aniket Anand Deshmukh, Yunwen Lei, Srinagesh Sharma et al.

Domain generalization is the problem of assigning labels to an unlabeled data set, given several similar data sets for which labels have been provided. Despite considerable interest in this problem over the last decade, there has been no theoretical analysis in the setting of multi-class classification. In this work, we study a kernel-based learning algorithm and establish a generalization error bound that scales logarithmically in the number of classes, matching state-of-the-art bounds for multi-class classification in the conventional learning setting. We also demonstrate empirically that the proposed algorithm achieves significant performance gains compared to a pooling strategy.

Aniket Anand Deshmukh, Srinagesh Sharma, James W. Cutler et al.

There are two variants of the classical multi-armed bandit (MAB) problem that have received considerable attention from machine learning researchers in recent years: contextual bandits and simple regret minimization. Contextual bandits are a sub-class of MABs where, at every time step, the learner has access to side information that is predictive of the best arm. Simple regret minimization assumes that the learner only incurs regret after a pure exploration phase. In this work, we study simple regret minimization for contextual bandits. Motivated by applications where the learner has separate training and autonomous modes, we assume that the learner experiences a pure exploration phase, where feedback is received after every action but no regret is incurred, followed by a pure exploitation phase in which regret is incurred but there is no feedback. We present the Contextual-Gap algorithm and establish performance guarantees on the simple regret, i.e., the regret during the pure exploitation phase. Our experiments examine a novel application to adaptive sensor selection for magnetic field estimation in interplanetary spacecraft, and demonstrate considerable improvement over algorithms designed to minimize the cumulative regret.

Clayton Scott

In the problem of domain adaptation for binary classification, the learner is presented with labeled examples from a source domain, and must correctly classify unlabeled examples from a target domain, which may differ from the source. Previous work on this problem has assumed that the performance measure of interest is the expected value of some loss function. We introduce a new Neyman-Pearson-like criterion and argue that, for this optimality criterion, stronger domain adaptation results are possible than what has previously been established. In particular, we study a class of domain adaptation problems that generalizes both the covariate shift assumption and a model for feature-dependent label noise, and establish optimal classification on the target domain despite not having access to labelled data from this domain.

Gilles Blanchard, Aniket Anand Deshmukh, Urun Dogan et al.

In the problem of domain generalization (DG), there are labeled training data sets from several related prediction problems, and the goal is to make accurate predictions on future unlabeled data sets that are not known to the learner. This problem arises in several applications where data distributions fluctuate because of environmental, technical, or other sources of variation. We introduce a formal framework for DG, and argue that it can be viewed as a kind of supervised learning problem by augmenting the original feature space with the marginal distribution of feature vectors. While our framework has several connections to conventional analysis of supervised learning algorithms, several unique aspects of DG require new methods of analysis. This work lays the learning theoretic foundations of domain generalization, building on our earlier conference paper where the problem of DG was introduced (Blanchard et al., 2011). We present two formal models of data generation, corresponding notions of risk, and distribution-free generalization error analysis. By focusing our attention on kernel methods, we also provide more quantitative results and a universally consistent algorithm. An efficient implementation is provided for this algorithm, which is experimentally compared to a pooling strategy on one synthetic and three real-world data sets.

Gopal Nataraj, Jon-Fredrik Nielsen, Clayton Scott et al.

This paper introduces a fast, general method for dictionary-free parameter estimation in quantitative magnetic resonance imaging (QMRI) via regression with kernels (PERK). PERK first uses prior distributions and the nonlinear MR signal model to simulate many parameter-measurement pairs. Inspired by machine learning, PERK then takes these parameter-measurement pairs as labeled training points and learns from them a nonlinear regression function using kernel functions and convex optimization. PERK admits a simple implementation as per-voxel nonlinear lifting of MRI measurements followed by linear minimum mean-squared error regression. We demonstrate PERK for $T_1,T_2$ estimation, a well-studied application where it is simple to compare PERK estimates against dictionary-based grid search estimates. Numerical simulations as well as single-slice phantom and in vivo experiments demonstrate that PERK and grid search produce comparable $T_1,T_2$ estimates in white and gray matter, but PERK is consistently at least $23\times$ faster. This acceleration factor will increase by several orders of magnitude for full-volume QMRI estimation problems involving more latent parameters per voxel.

Julian Katz-Samuels, Gilles Blanchard, Clayton Scott

Many machine learning problems can be characterized by mutual contamination models. In these problems, one observes several random samples from different convex combinations of a set of unknown base distributions and the goal is to infer these base distributions. This paper considers the general setting where the base distributions are defined on arbitrary probability spaces. We examine three popular machine learning problems that arise in this general setting: multiclass classification with label noise, demixing of mixed membership models, and classification with partial labels. In each case, we give sufficient conditions for identifiability and present algorithms for the infinite and finite sample settings, with associated performance guarantees.

Efrén Cruz Cortés, Clayton Scott

Consistency of the kernel density estimator requires that the kernel bandwidth tends to zero as the sample size grows. In this paper we investigate the question of whether consistency is possible when the bandwidth is fixed, if we consider a more general class of weighted KDEs. To answer this question in the affirmative, we introduce the fixed-bandwidth KDE (fbKDE), obtained by solving a quadratic program, and prove that it consistently estimates any continuous square-integrable density. We also establish rates of convergence for the fbKDE with radial kernels and the box kernel under appropriate smoothness assumptions. Furthermore, in an experimental study we demonstrate that the fbKDE compares favorably to the standard KDE and the previously proposed variable bandwidth KDE.

Julian Katz-Samuels, Clayton Scott

We consider the task of collaborative preference completion: given a pool of items, a pool of users and a partially observed item-user rating matrix, the goal is to recover the \emph{personalized ranking} of each user over all of the items. Our approach is nonparametric: we assume that each item $i$ and each user $u$ have unobserved features $x_i$ and $y_u$, and that the associated rating is given by $g_u(f(x_i,y_u))$ where $f$ is Lipschitz and $g_u$ is a monotonic transformation that depends on the user. We propose a $k$-nearest neighbors-like algorithm and prove that it is consistent. To the best of our knowledge, this is the first consistency result for the collaborative preference completion problem in a nonparametric setting. Finally, we demonstrate the performance of our algorithm with experiments on the Netflix and Movielens datasets.

Aniket Anand Deshmukh, Urun Dogan, Clayton Scott

Contextual bandits are a form of multi-armed bandit in which the agent has access to predictive side information (known as the context) for each arm at each time step, and have been used to model personalized news recommendation, ad placement, and other applications. In this work, we propose a multi-task learning framework for contextual bandit problems. Like multi-task learning in the batch setting, the goal is to leverage similarities in contexts for different arms so as to improve the agent's ability to predict rewards from contexts. We propose an upper confidence bound-based multi-task learning algorithm for contextual bandits, establish a corresponding regret bound, and interpret this bound to quantify the advantages of learning in the presence of high task (arm) similarity. We also describe an effective scheme for estimating task similarity from data, and demonstrate our algorithm's performance on several data sets.

Max Yi Ren, Clayton Scott

We consider the problem of identifying the most profitable product design from a finite set of candidates under unknown consumer preference. A standard approach to this problem follows a two-step strategy: First, estimate the preference of the consumer population, represented as a point in part-worth space, using an adaptive discrete-choice questionnaire. Second, integrate the estimated part-worth vector with engineering feasibility and cost models to determine the optimal design. In this work, we (1) demonstrate that accurate preference estimation is neither necessary nor sufficient for identifying the optimal design, (2) introduce a novel adaptive questionnaire that leverages knowledge about engineering feasibility and manufacturing costs to directly determine the optimal design, and (3) interpret product design in terms of a nonlinear segmentation of part-worth space, and use this interpretation to illuminate the intrinsic difficulty of optimal design in the presence of noisy questionnaire responses. We establish the superiority of the proposed approach using a well-documented optimal product design task. This study demonstrates how the identification of optimal product design can be accelerated by integrating marketing and manufacturing knowledge into the adaptive questionnaire.

Harish G. Ramaswamy, Clayton Scott, Ambuj Tewari

Mixture proportion estimation (MPE) is the problem of estimating the weight of a component distribution in a mixture, given samples from the mixture and component. This problem constitutes a key part in many "weakly supervised learning" problems like learning with positive and unlabelled samples, learning with label noise, anomaly detection and crowdsourcing. While there have been several methods proposed to solve this problem, to the best of our knowledge no efficient algorithm with a proven convergence rate towards the true proportion exists for this problem. We fill this gap by constructing a provably correct algorithm for MPE, and derive convergence rates under certain assumptions on the distribution. Our method is based on embedding distributions onto an RKHS, and implementing it only requires solving a simple convex quadratic programming problem a few times. We run our algorithm on several standard classification datasets, and demonstrate that it performs comparably to or better than other algorithms on most datasets.

Julian Katz-Samuels, Clayton Scott

Many machine learning problems can be characterized by mutual contamination models. In these problems, one observes several random samples from different convex combinations of a set of unknown base distributions. It is of interest to decontaminate mutual contamination models, i.e., to recover the base distributions either exactly or up to a permutation. This paper considers the general setting where the base distributions are defined on arbitrary probability spaces. We examine the decontamination problem in two mutual contamination models that describe popular machine learning tasks: recovering the base distributions up to a permutation in a mixed membership model, and recovering the base distributions exactly in a partial label model for classification. We give necessary and sufficient conditions for identifiability of both mutual contamination models, algorithms for both problems in the infinite and finite sample cases, and introduce novel proof techniques based on affine geometry.

Hossein Keshavarz, Clayton Scott, XuanLong Nguyen

Gaussian random fields are a powerful tool for modeling environmental processes. For high dimensional samples, classical approaches for estimating the covariance parameters require highly challenging and massive computations, such as the evaluation of the Cholesky factorization or solving linear systems. Recently, Anitescu, Chen and Stein \cite{M.Anitescu} proposed a fast and scalable algorithm which does not need such burdensome computations. The main focus of this article is to study the asymptotic behavior of the algorithm of Anitescu et al. (ACS) for regular and irregular grids in the increasing domain setting. Consistency, minimax optimality and asymptotic normality of this algorithm are proved under mild differentiability conditions on the covariance function. Despite the fact that ACS's method entails a non-concave maximization, our results hold for any stationary point of the objective function. A numerical study is presented to evaluate the efficiency of this algorithm for large data sets.

Hossein Keshavarz, Clayton Scott, XuanLong Nguyen

We study the problem of detecting a change in the mean of one-dimensional Gaussian process data. This problem is investigated in the setting of increasing domain (customarily employed in time series analysis) and in the setting of fixed domain (typically arising in spatial data analysis). We propose a detection method based on the generalized likelihood ratio test (GLRT), and show that our method achieves nearly asymptotically optimal rate in the minimax sense, in both settings. The salient feature of the proposed method is that it exploits in an efficient way the data dependence captured by the Gaussian process covariance structure. When the covariance is not known, we propose the plug-in GLRT method and derive conditions under which the method remains asymptotically near optimal. By contrast, the standard CUSUM method, which does not account for the covariance structure, is shown to be asymptotically optimal only in the increasing domain. Our algorithms and accompanying theory are applicable to a wide variety of covariance structures, including the Matern class, the powered exponential class, and others. The plug-in GLRT method is shown to perform well for maximum likelihood estimators with a dense covariance matrix.

Takanori Watanabe, Daniel Kessler, Clayton Scott et al.

Substantial evidence indicates that major psychiatric disorders are associated with distributed neural dysconnectivity, leading to strong interest in using neuroimaging methods to accurately predict disorder status. In this work, we are specifically interested in a multivariate approach that uses features derived from whole-brain resting state functional connectomes. However, functional connectomes reside in a high dimensional space, which complicates model interpretation and introduces numerous statistical and computational challenges. Traditional feature selection techniques are used to reduce data dimensionality, but are blind to the spatial structure of the connectomes. We propose a regularization framework where the 6-D structure of the functional connectome is explicitly taken into account via the fused Lasso or the GraphNet regularizer. Our method only restricts the loss function to be convex and margin-based, allowing non-differentiable loss functions such as the hinge-loss to be used. Using the fused Lasso or GraphNet regularizer with the hinge-loss leads to a structured sparse support vector machine (SVM) with embedded feature selection. We introduce a novel efficient optimization algorithm based on the augmented Lagrangian and the classical alternating direction method, which can solve both fused Lasso and GraphNet regularized SVM with very little modification. We also demonstrate that the inner subproblems of the algorithm can be solved efficiently in analytic form by coupling the variable splitting strategy with a data augmentation scheme. Experiments on simulated data and resting state scans from a large schizophrenia dataset show that our proposed approach can identify predictive regions that are spatially contiguous in the 6-D "connectome space," offering an additional layer of interpretability that could provide new insights about various disease processes.

Tyler Sanderson, Clayton Scott

This work addresses two classification problems that fall under the heading of domain adaptation, wherein the distributions of training and testing examples differ. The first problem studied is that of class proportion estimation, which is the problem of estimating the class proportions in an unlabeled testing data set given labeled examples of each class. Compared to previous work on this problem, our approach has the novel feature that it does not require labeled training data from one of the classes. This property allows us to address the second domain adaptation problem, namely, multiclass anomaly rejection. Here, the goal is to design a classifier that has the option of assigning a "reject" label, indicating that the instance did not arise from a class present in the training data. We establish consistent learning strategies for both of these domain adaptation problems, which to our knowledge are the first of their kind. We also implement the class proportion estimation technique and demonstrate its performance on several benchmark data sets.

Gilles Blanchard, Marek Flaska, Gregory Handy et al.

In many real-world classification problems, the labels of training examples are randomly corrupted. Most previous theoretical work on classification with label noise assumes that the two classes are separable, that the label noise is independent of the true class label, or that the noise proportions for each class are known. In this work, we give conditions that are necessary and sufficient for the true class-conditional distributions to be identifiable. These conditions are weaker than those analyzed previously, and allow for the classes to be nonseparable and the noise levels to be asymmetric and unknown. The conditions essentially state that a majority of the observed labels are correct and that the true class-conditional distributions are "mutually irreducible," a concept we introduce that limits the similarity of the two distributions. For any label noise problem, there is a unique pair of true class-conditional distributions satisfying the proposed conditions, and we argue that this pair corresponds in a certain sense to maximal denoising of the observed distributions. Our results are facilitated by a connection to "mixture proportion estimation," which is the problem of estimating the maximal proportion of one distribution that is present in another. We establish a novel rate of convergence result for mixture proportion estimation, and apply this to obtain consistency of a discrimination rule based on surrogate loss minimization. Experimental results on benchmark data and a nuclear particle classification problem demonstrate the efficacy of our approach.

Gowtham Bellala, Jason Stanley, Clayton Scott et al.

The problem of active diagnosis arises in several applications such as disease diagnosis, and fault diagnosis in computer networks, where the goal is to rapidly identify the binary states of a set of objects (e.g., faulty or working) by sequentially selecting, and observing, (noisy) responses to binary valued queries. Current algorithms in this area rely on loopy belief propagation for active query selection. These algorithms have an exponential time complexity, making them slow and even intractable in large networks. We propose a rank-based greedy algorithm that sequentially chooses queries such that the area under the ROC curve of the rank-based output is maximized. The AUC criterion allows us to make a simplifying assumption that significantly reduces the complexity of active query selection (from exponential to near quadratic), with little or no compromise on the performance quality.