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Nadja Klein

Nadja Klein contributes to research discovery and scholarly infrastructure.

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Published work

19 published item(s)

preprint2026arXiv

Amortized Variational Inference for Partial-Label Learning: A Probabilistic Approach to Label Disambiguation

Real-world data is frequently noisy and ambiguous. In crowdsourcing, for example, human annotators may assign conflicting class labels to the same instances. Partial-label learning (PLL) addresses this challenge by training classifiers when each instance is associated with a set of candidate labels, only one of which is correct. While early PLL methods approximate the true label posterior, they are often computationally intensive. Recent deep learning approaches improve scalability but rely on surrogate losses and heuristic label refinement. We introduce a novel probabilistic framework that directly approximates the posterior distribution over true labels using amortized variational inference. Our method employs neural networks to predict variational parameters from input data, enabling efficient inference. This approach combines the expressiveness of deep learning with the rigor of probabilistic modeling, while remaining architecture-agnostic. Theoretical analysis and extensive experiments on synthetic and real-world datasets demonstrate that our method achieves state-of-the-art performance in both accuracy and efficiency.

preprint2026arXiv

Bayesian Additive Regression Tree Copula Processes for Scalable Distributional Prediction

We show how to construct the implied copula process of response values from a Bayesian additive regression tree (BART) model with prior on the leaf node variances. This copula process, defined on the covariate space, can be paired with any marginal distribution for the dependent variable to construct a flexible distributional BART model. Bayesian inference is performed via Markov chain Monte Carlo on an augmented posterior, where we show that key sampling steps can be realized as those of Chipman et al. (2010), preserving scalability and computational efficiency even though the copula process is high dimensional. The posterior predictive distribution from the copula process model is derived in closed form as the push-forward of the posterior predictive distribution of the underlying BART model with an optimal transport map. Under suitable conditions, we establish posterior consistency for the regression function and posterior means and prove convergence in distribution of the predictive process and conditional expectation. Simulation studies demonstrate improved accuracy of distributional predictions compared to the original BART model and leading benchmarks. Applications to five real datasets with 506 to 515,345 observations and 8 to 90 covariates further highlight the efficacy and scalability of our proposed BART copula process model.

preprint2026arXiv

From Model Uncertainty to Human Attention: Localization-Aware Visual Cues for Scalable Annotation Review

High-quality labeled data is essential for training robust machine learning models, yet obtaining annotations at scale remains expensive. AI-assisted annotation has therefore become standard in large-scale labeling workflows. However, in tasks where model predictions carry two independent components, a class label and spatial boundaries, a model may classify an object with high confidence while mislocalizing it. Existing AI-assisted workflows offer annotators no signal about where spatial errors are most likely. Without such guidance, humans may systematically underinspect subtly misplaced boxes. We address this by studying the effect of visualizing spatial uncertainty via a purpose-built interface. In a controlled study with 120 participants, those receiving uncertainty cues achieve higher label quality while being faster overall. A box-level analysis confirms that the cues redirect annotator effort toward high-uncertainty predictions and away from well-localized boxes. These findings establish localization uncertainty as a lever to improve human-in-the-loop annotation. Code is available at https://mos-ks.github.io/MUHA/.

preprint2026arXiv

Probabilistic Object Detection with Conformal Prediction

Conformal Prediction (CP) is a distribution-free method for constructing prediction sets with marginal finite-sample coverage guarantees, making it a suitable framework for reliable uncertainty quantification in safety-critical object detection. However, object detection introduces structured multi-output predictions, complicating the application of classical CP theory developed for single outputs. In addition, standard, unscaled CP produces fixed-width prediction intervals across inputs, leading to unnecessary width for low-uncertainty predictions. While scaled CP addresses this by adapting the interval width to an input-dependent uncertainty estimate, prior work has neither systematically compared unscaled and scaled CP for multi-class object detection, nor integrated CP with a complementary uncertainty quantification method in this setting. We fill this gap by: (i) applying CP coordinate-wise to bounding box corners with a Bonferroni correction for box-level guarantees; (ii) scaling the resulting intervals using per-prediction aleatoric uncertainty estimates derived from a probabilistic object detector trained with loss attenuation, evaluated in uncalibrated and two calibrated variants; (iii) extending to a two-step pipeline that constructs prediction sets for the class using RAPS and conditions the conformalized bounding boxes on the predicted class set. Across three autonomous driving datasets (KITTI, BDD, CODA), including a cross-domain setting under distribution shift, scaled CP consistently improves interval sharpness over unscaled CP, achieving up to 19% higher IoU and 39% lower interval scores, without sacrificing coverage. Class-wise calibration further improves coverage for both variants with a negligible effect on sharpness. Together, these improvements yield more actionable uncertainty estimates for real-time, real-world object detection.

preprint2026arXiv

QDSB: Quantized Diffusion Schrödinger Bridges

Learning generative models in settings where the source and target distributions are only specified through unpaired samples is gaining in importance. Here, one frequently-used model are Schrödinger bridges (SB), which represent the most likely evolution between both endpoint distributions. To accelerate training, simulation-free SBs avoid the path simulation of the original SB models. However, learning simulation-free SBs requires paired data; a coupling of the source and target samples is obtained as the solution of the entropic optimal transport (OT) problem. As obtaining the optimal global coupling is infeasible in many practical cases, the entropic OT problem is iteratively solved on minibatches instead. Still, the repeated cost remains substantial and the locality can distort the global transport geometry. We propose quantized diffusion Schrödinger bridges (QDSB), which compute the endpoint coupling on anchor-quantized endpoint distributions and lift the resulting plan back to original data points through cell-wise sampling. We show that the regularized optimal coupling is stable w.r.t. anchor quantization, with an error controlled by the quality of the anchor approximation. In real-world experiments, QDSB matches the sample quality of existing baselines, requiring substantially less time. Code and data are available at github.com/mathefuchs/qdsb.

preprint2024arXiv

Bayesian Effect Selection in Additive Models with an Application to Time-to-Event Data

Accurately selecting and estimating smooth functional effects in additive models with potentially many functions is a challenging task. We introduce a novel Demmler-Reinsch basis expansion to model the functional effects that allows us to orthogonally decompose an effect into its linear and nonlinear parts. We show that our representation allows to consistently estimate both parts as opposed to commonly employed mixed model representations. Equipping the reparameterized regression coefficients with normal beta prime spike and slab priors allows us to determine whether a continuous covariate has a linear, a nonlinear or no effect at all. We provide new theoretical results for the prior and a compelling explanation for its superior Markov chain Monte Carlo mixing performance compared to the spike-and-slab group lasso. We establish an efficient posterior estimation scheme and illustrate our approach along effect selection on the hazard rate of a time-to-event response in the geoadditive Cox regression model in simulations and data on survival with leukemia.

preprint2023arXiv

Scalable Estimation for Structured Additive Distributional Regression

Recently, fitting probabilistic models have gained importance in many areas but estimation of such distributional models with very large data sets is a difficult task. In particular, the use of rather complex models can easily lead to memory-related efficiency problems that can make estimation infeasible even on high-performance computers. We therefore propose a novel backfitting algorithm, which is based on the ideas of stochastic gradient descent and can deal virtually with any amount of data on a conventional laptop. The algorithm performs automatic selection of variables and smoothing parameters, and its performance is in most cases superior or at least equivalent to other implementations for structured additive distributional regression, e.g., gradient boosting, while maintaining low computation time. Performance is evaluated using an extensive simulation study and an exceptionally challenging and unique example of lightning count prediction over Austria. A very large dataset with over 9 million observations and 80 covariates is used, so that a prediction model cannot be estimated with standard distributional regression methods but with our new approach.

preprint2022arXiv

Bayesian Conditional Transformation Models

Recent developments in statistical regression methodology shift away from pure mean regression towards distributional regression models. One important strand thereof is that of conditional transformation models (CTMs). CTMs infer the entire conditional distribution directly by applying a transformation function to the response conditionally on a set of covariates towards a simple log-concave reference distribution. Thereby, CTMs allow not only variance, kurtosis or skewness but the complete conditional distribution to depend on the explanatory variables. We propose a Bayesian notion of conditional transformation models (BCTMs) focusing on exactly observed continuous responses, but also incorporating extensions to randomly censored and discrete responses. Rather than relying on Bernstein polynomials that have been considered in likelihood-based CTMs, we implement a spline-based parametrization for monotonic effects that are supplemented with smoothness priors. Furthermore, we are able to benefit from the Bayesian paradigm via easily obtainable credible intervals and other quantities without relying on large sample approximations. A simulation study demonstrates the competitiveness of our approach against its likelihood-based counterpart but also Bayesian additive models of location, scale and shape and Bayesian quantile regression. Two applications illustrate the versatility of BCTMs in problems involving real world data, again including the comparison with various types of competitors.

preprint2022arXiv

Boosting Distributional Copula Regression

Capturing complex dependence structures between outcome variables (e.g., study endpoints) is of high relevance in contemporary biomedical data problems and medical research. Distributional copula regression provides a flexible tool to model the joint distribution of multiple outcome variables by disentangling the marginal response distributions and their dependence structure. In a regression setup each parameter of the copula model, i.e. the marginal distribution parameters and the copula dependence parameters, can be related to covariates via structured additive predictors. We propose a framework to fit distributional copula regression models via a model-based boosting algorithm. Model-based boosting is a modern estimation technique that incorporates useful features like an intrinsic variable selection mechanism, parameter shrinkage and the capability to fit regression models in high dimensional data setting, i.e. situations with more covariates than observations. Thus, model-based boosting does not only complement existing Bayesian and maximum-likelihood based estimation frameworks for this model class but rather enables unique intrinsic mechanisms that can be helpful in many applied problems. The performance of our boosting algorithm in the context of copula regression models with continuous margins is evaluated in simulation studies that cover low- and high-dimensional data settings and situations with and without dependence between the responses. Moreover, distributional copula boosting is used to jointly analyze and predict the length and the weight of newborns conditional on sonographic measurements of the fetus before delivery together with other clinical variables.

preprint2022arXiv

Boosting Multivariate Structured Additive Distributional Regression Models

We develop a model-based boosting approach for multivariate distributional regression within the framework of generalized additive models for location, scale, and shape. Our approach enables the simultaneous modeling of all distribution parameters of an arbitrary parametric distribution of a multivariate response conditional on explanatory variables, while being applicable to potentially high-dimensional data. Moreover, the boosting algorithm incorporates data-driven variable selection, taking various different types of effects into account. As a special merit of our approach, it allows for modelling the association between multiple continuous or discrete outcomes through the relevant covariates. After a detailed simulation study investigating estimation and prediction performance, we demonstrate the full flexibility of our approach in three diverse biomedical applications. The first is based on high-dimensional genomic cohort data from the UK Biobank, considering a bivariate binary response (chronic ischemic heart disease and high cholesterol). Here, we are able to identify genetic variants that are informative for the association between cholesterol and heart disease. The second application considers the demand for health care in Australia with the number of consultations and the number of prescribed medications as a bivariate count response. The third application analyses two dimensions of childhood undernutrition in Nigeria as a bivariate response and we find that the correlation between the two undernutrition scores is considerably different depending on the child's age and the region the child lives in.

preprint2022arXiv

deepregression: a Flexible Neural Network Framework for Semi-Structured Deep Distributional Regression

In this paper we describe the implementation of semi-structured deep distributional regression, a flexible framework to learn conditional distributions based on the combination of additive regression models and deep networks. Our implementation encompasses (1) a modular neural network building system based on the deep learning library \pkg{TensorFlow} for the fusion of various statistical and deep learning approaches, (2) an orthogonalization cell to allow for an interpretable combination of different subnetworks, as well as (3) pre-processing steps necessary to set up such models. The software package allows to define models in a user-friendly manner via a formula interface that is inspired by classical statistical model frameworks such as \pkg{mgcv}. The packages' modular design and functionality provides a unique resource for both scalable estimation of complex statistical models and the combination of approaches from deep learning and statistics. This allows for state-of-the-art predictive performance while simultaneously retaining the indispensable interpretability of classical statistical models.

preprint2022arXiv

Deselection of Base-Learners for Statistical Boosting -- with an Application to Distributional Regression

We present a new procedure for enhanced variable selection for component-wise gradient boosting. Statistical boosting is a computational approach that emerged from machine learning, which allows to fit regression models in the presence of high-dimensional data. Furthermore, the algorithm can lead to data-driven variable selection. In practice, however, the final models typically tend to include too many variables in some situations. This occurs particularly for low-dimensional data (p<n), where we observe a slow overfitting behavior of boosting. As a result, more variables get included into the final model without altering the prediction accuracy. Many of these false positives are incorporated with a small coefficient and therefore have a small impact, but lead to a larger model. We try to overcome this issue by giving the algorithm the chance to deselect base-learners with minor importance. We analyze the impact of the new approach on variable selection and prediction performance in comparison to alternative methods including boosting with earlier stopping as well as twin boosting. We illustrate our approach with data of an ongoing cohort study for chronic kidney disease patients, where the most influential predictors for the health-related quality of life measure are selected in a distributional regression approach based on beta regression.

preprint2022arXiv

Posterior Concentration Rates for Bayesian Penalized Splines

Despite their widespread use in practice, the asymptotic properties of Bayesian penalized splines have not been investigated so far. We close this gap and study posterior concentration rates for Bayesian penalized splines in a Gaussian nonparametric regression model. A key feature of the approach is the hyperprior on the smoothing variance, which allows for adaptive smoothing in practice but complicates the theoretical analysis considerably as it destroys conjugacy and precludes analytic expressions for the posterior moments. To derive our theoretical results, we rely on several new concepts including a carefully defined proper version of the partially improper penalized splines prior as well as an innovative spline estimator that projects the observations onto the first basis functions of a Demmler-Reinsch basis. Our results show that posterior concentration at near optimal rate can be achieved if the hyperprior on the smoothing variance strikes a fine balance between oversmoothing and undersmoothing, which can for instance be met by a Weibull hyperprior with shape parameter 1/2. We complement our theoretical results with empirical evidence demonstrating the adaptivity of the hyperprior in practice.

preprint2022arXiv

Semi-Structured Distributional Regression -- Extending Structured Additive Models by Arbitrary Deep Neural Networks and Data Modalities

Combining additive models and neural networks allows to broaden the scope of statistical regression and extend deep learning-based approaches by interpretable structured additive predictors at the same time. Existing attempts uniting the two modeling approaches are, however, limited to very specific combinations and, more importantly, involve an identifiability issue. As a consequence, interpretability and stable estimation are typically lost. We propose a general framework to combine structured regression models and deep neural networks into a unifying network architecture. To overcome the inherent identifiability issues between different model parts, we construct an orthogonalization cell that projects the deep neural network into the orthogonal complement of the statistical model predictor. This enables proper estimation of structured model parts and thereby interpretability. We demonstrate the framework&#39;s efficacy in numerical experiments and illustrate its special merits in benchmarks and real-world applications.

preprint2020arXiv

Bayesian Inference for Regression Copulas

We propose a new semi-parametric distributional regression smoother that is based on a copula decomposition of the joint distribution of the vector of response values. The copula is high-dimensional and constructed by inversion of a pseudo regression, where the conditional mean and variance are semi-parametric functions of covariates modeled using regularized basis functions. By integrating out the basis coefficients, an implicit copula process on the covariate space is obtained, which we call a `regression copula&#39;. We combine this with a non-parametric margin to define a copula model, where the entire distribution - including the mean and variance - of the response is a smooth semi-parametric function of the covariates. The copula is estimated using both Hamiltonian Monte Carlo and variational Bayes; the latter of which is scalable to high dimensions. Using real data examples and a simulation study we illustrate the efficacy of these estimators and the copula model. In a substantive example, we estimate the distribution of half-hourly electricity spot prices as a function of demand and two time covariates using radial bases and horseshoe regularization. The copula model produces distributional estimates that are locally adaptive with respect to the covariates, and predictions that are more accurate than those from benchmark models.

preprint2020arXiv

Bayesian Variable Selection for Non-Gaussian Responses: A Marginally Calibrated Copula Approach

We propose a new highly flexible and tractable Bayesian approach to undertake variable selection in non-Gaussian regression models. It uses a copula decomposition for the joint distribution of observations on the dependent variable. This allows the marginal distribution of the dependent variable to be calibrated accurately using a nonparametric or other estimator. The family of copulas employed are `implicit copulas&#39; that are constructed from existing hierarchical Bayesian models widely used for variable selection, and we establish some of their properties. Even though the copulas are high-dimensional, they can be estimated efficiently and quickly using Markov chain Monte Carlo (MCMC). A simulation study shows that when the responses are non-Gaussian the approach selects variables more accurately than contemporary benchmarks. A real data example in the Web Appendix illustrates that accounting for even mild deviations from normality can lead to a substantial increase in accuracy. To illustrate the full potential of our approach we extend it to spatial variable selection for fMRI. Using real data, we show our method allows for voxel-specific marginal calibration of the magnetic resonance signal at over 6,000 voxels, leading to an increase in the quality of the activation maps.

preprint2020arXiv

Marginally-calibrated deep distributional regression

Deep neural network (DNN) regression models are widely used in applications requiring state-of-the-art predictive accuracy. However, until recently there has been little work on accurate uncertainty quantification for predictions from such models. We add to this literature by outlining an approach to constructing predictive distributions that are `marginally calibrated&#39;. This is where the long run average of the predictive distributions of the response variable matches the observed empirical margin. Our approach considers a DNN regression with a conditionally Gaussian prior for the final layer weights, from which an implicit copula process on the feature space is extracted. This copula process is combined with a non-parametrically estimated marginal distribution for the response. The end result is a scalable distributional DNN regression method with marginally calibrated predictions, and our work complements existing methods for probability calibration. The approach is first illustrated using two applications of dense layer feed-forward neural networks. However, our main motivating applications are in likelihood-free inference, where distributional deep regression is used to estimate marginal posterior distributions. In two complex ecological time series examples we employ the implicit copulas of convolutional networks, and show that marginal calibration results in improved uncertainty quantification. Our approach also avoids the need for manual specification of summary statistics, a requirement that is burdensome for users and typical of competing likelihood-free inference methods.

preprint2019arXiv

Bayesian Effect Selection in Structured Additive Distributional Regression Models

We propose a novel spike and slab prior specification with scaled beta prime marginals for the importance parameters of regression coefficients to allow for general effect selection within the class of structured additive distributional regression. This enables us to model effects on all distributional parameters for arbitrary parametric distributions, and to consider various effect types such as non-linear or spatial effects as well as hierarchical regression structures. Our spike and slab prior relies on a parameter expansion that separates blocks of regression coefficients into overall scalar importance parameters and vectors of standardised coefficients. Hence, we can work with a scalar quantity for effect selection instead of a possibly high-dimensional effect vector, which yields improved shrinkage and sampling performance compared to the classical normal-inverse-gamma prior. We investigate the propriety of the posterior, show that the prior yields desirable shrinkage properties, propose a way of eliciting prior parameters and provide efficient Markov Chain Monte Carlo sampling. Using both simulated and three large-scale data sets, we show that our approach is applicable for data with a potentially large number of covariates, multilevel predictors accounting for hierarchically nested data and non-standard response distributions, such as bivariate normal or zero-inflated Poisson.

preprint2018arXiv

Implicit Copulas from Bayesian Regularized Regression Smoothers

We show how to extract the implicit copula of a response vector from a Bayesian regularized regression smoother with Gaussian disturbances. The copula can be used to compare smoothers that employ different shrinkage priors and function bases. We illustrate with three popular choices of shrinkage priors --- a pairwise prior, the horseshoe prior and a g prior augmented with a point mass as employed for Bayesian variable selection --- and both univariate and multivariate function bases. The implicit copulas are high-dimensional, have flexible dependence structures that are far from that of a Gaussian copula, and are unavailable in closed form. However, we show how they can be evaluated by first constructing a Gaussian copula conditional on the regularization parameters, and then integrating over these. Combined with non-parametric margins the regularized smoothers can be used to model the distribution of non-Gaussian univariate responses conditional on the covariates. Efficient Markov chain Monte Carlo schemes for evaluating the copula are given for this case. Using both simulated and real data, we show how such copula smoothing models can improve the quality of resulting function estimates and predictive distributions.