Nadja Klein

Ekin Celikkan, Timo Kunzmann, Yertay Yeskaliyev et al.

Weeds are one of the major reasons for crop yield loss but current weeding practices fail to manage weeds in an efficient and targeted manner. Effective weed management is especially important for crops with high worldwide production such as maize, to maximize crop yield for meeting increasing global demands. Advances in near-sensing and computer vision enable the development of new tools for weed management. Specifically, state-of-the-art segmentation models, coupled with novel sensing technologies, can facilitate timely and accurate weeding and monitoring systems. However, learning-based approaches require annotated data and show a lack of generalization to aerial imaging for different crops. We present a novel dataset for semantic and instance segmentation of crops and weeds in agricultural maize fields. The multispectral UAV-based dataset contains images with RGB, red-edge, and near-infrared bands, a large number of plant instances, dense annotations for maize and four weed classes, and is multitemporal. We provide extensive baseline results for both tasks, including probabilistic methods to quantify prediction uncertainty, improve model calibration, and demonstrate the approach's applicability to out-of-distribution data. The results show the effectiveness of the two additional bands compared to RGB only, and better performance in our target domain than models trained on existing datasets. We hope our dataset advances research on methods and operational systems for fine-grained weed identification, enhancing the robustness and applicability of UAV-based weed management. The dataset and code are available at https://github.com/GFZ/weedsgalore

Moussa Kassem Sbeyti, Michelle Karg, Christian Wirth et al.

Object detectors in real-world applications often fail to detect objects due to varying factors such as weather conditions and noisy input. Therefore, a process that mitigates false detections is crucial for both safety and accuracy. While uncertainty-based thresholding shows promise, previous works demonstrate an imperfect correlation between uncertainty and detection errors. This hinders ideal thresholding, prompting us to further investigate the correlation and associated cost with different types of uncertainty. We therefore propose a cost-sensitive framework for object detection tailored to user-defined budgets on the two types of errors, missing and false detections. We derive minimum thresholding requirements to prevent performance degradation and define metrics to assess the applicability of uncertainty for failure recognition. Furthermore, we automate and optimize the thresholding process to maximize the failure recognition rate w.r.t. the specified budget. Evaluation on three autonomous driving datasets demonstrates that our approach significantly enhances safety, particularly in challenging scenarios. Leveraging localization aleatoric uncertainty and softmax-based entropy only, our method boosts the failure recognition rate by 36-60\% compared to conventional approaches. Code is available at https://mos-ks.github.io/publications.

Mohamed-Khalil Bouzidi, Christian Schlauch, Nicole Scheuerer et al.

Fueled by motion prediction competitions and benchmarks, recent years have seen the emergence of increasingly large learning based prediction models, many with millions of parameters, focused on improving open-loop prediction accuracy by mere centimeters. However, these benchmarks fail to assess whether such improvements translate to better performance when integrated into an autonomous driving stack. In this work, we systematically evaluate the interplay between state-of-the-art motion predictors and motion planners. Our results show that higher open-loop accuracy does not always correlate with better closed-loop driving behavior and that other factors, such as temporal consistency of predictions and planner compatibility, also play a critical role. Furthermore, we investigate downsized variants of these models, and, surprisingly, find that in some cases models with up to 86% fewer parameters yield comparable or even superior closed-loop driving performance. Our code is available at https://github.com/continental/pred2plan.

Christian Schlauch, Nadja Klein, Christian Wirth

Informed machine learning methods allow the integration of prior knowledge into learning systems. This can increase accuracy and robustness or reduce data needs. However, existing methods often assume hard constraining knowledge, that does not require to trade-off prior knowledge with observations, but can be used to directly reduce the problem space. Other approaches use specific, architectural changes as representation of prior knowledge, limiting applicability. We propose an informed machine learning method, based on continual learning. This allows the integration of arbitrary, prior knowledge, potentially from multiple sources, and does not require specific architectures. Furthermore, our approach enables probabilistic and multi-modal predictions, that can improve predictive accuracy and robustness. We exemplify our approach by applying it to a state-of-the-art trajectory predictor for autonomous driving. This domain is especially dependent on informed learning approaches, as it is subject to an overwhelming large variety of possible environments and very rare events, while requiring robust and accurate predictions. We evaluate our model on a commonly used benchmark dataset, only using data already available in a conventional setup. We show that our method outperforms both non-informed and informed learning methods, that are often used in the literature. Furthermore, we are able to compete with a conventional baseline, even using half as many observation examples.

Kumar Manas, Christian Schlauch, Adrian Paschke et al.

Deep learning-based trajectory prediction models have demonstrated promising capabilities in capturing complex interactions. However, their out-of-distribution generalization remains a significant challenge, particularly due to unbalanced data and a lack of enough data and diversity to ensure robustness and calibration. To address this, we propose SHIFT (Spectral Heteroscedastic Informed Forecasting for Trajectories), a novel framework that uniquely combines well-calibrated uncertainty modeling with informative priors derived through automated rule extraction. SHIFT reformulates trajectory prediction as a classification task and employs heteroscedastic spectral-normalized Gaussian processes to effectively disentangle epistemic and aleatoric uncertainties. We learn informative priors from training labels, which are automatically generated from natural language driving rules, such as stop rules and drivability constraints, using a retrieval-augmented generation framework powered by a large language model. Extensive evaluations over the nuScenes dataset, including challenging low-data and cross-location scenarios, demonstrate that SHIFT outperforms state-of-the-art methods, achieving substantial gains in uncertainty calibration and displacement metrics. In particular, our model excels in complex scenarios, such as intersections, where uncertainty is inherently higher. Project page: https://kumarmanas.github.io/SHIFT/.

Katharina Winter, Abhishek Vivekanandan, Rupert Polley et al.

Generative AI (GenAI) is rapidly advancing the field of Autonomous Driving (AD), extending beyond traditional applications in text, image, and video generation. We explore how generative models can enhance automotive tasks, such as static map creation, dynamic scenario generation, trajectory forecasting, and vehicle motion planning. By examining multiple generative approaches ranging from Variational Autoencoder (VAEs) over Generative Adversarial Networks (GANs) and Invertible Neural Networks (INNs) to Generative Transformers (GTs) and Diffusion Models (DMs), we highlight and compare their capabilities and limitations for AD-specific applications. Additionally, we discuss hybrid methods integrating conventional techniques with generative approaches, and emphasize their improved adaptability and robustness. We also identify relevant datasets and outline open research questions to guide future developments in GenAI. Finally, we discuss three core challenges: safety, interpretability, and realtime capabilities, and present recommendations for image generation, dynamic scenario generation, and planning.

Christian Schlauch, Christian Wirth, Nadja Klein

Prior parameter distributions provide an elegant way to represent prior expert and world knowledge for informed learning. Previous work has shown that using such informative priors to regularize probabilistic deep learning (DL) models increases their performance and data-efficiency. However, commonly used sampling-based approximations for probabilistic DL models can be computationally expensive, requiring multiple inference passes and longer training times. Promising alternatives are compute-efficient last layer kernel approximations like spectral normalized Gaussian processes (SNGPs). We propose a novel regularization-based continual learning method for SNGPs, which enables the use of informative priors that represent prior knowledge learned from previous tasks. Our proposal builds upon well-established methods and requires no rehearsal memory or parameter expansion. We apply our informed SNGP model to the trajectory prediction problem in autonomous driving by integrating prior drivability knowledge. On two public datasets, we investigate its performance under diminishing training data and across locations, and thereby demonstrate an increase in data-efficiency and robustness to location-transfers over non-informed and informed baselines.

Paulo Yanez Sarmiento, Simon Witzke, Nadja Klein et al.

Explainability is a key component in many applications involving deep neural networks (DNNs). However, current explanation methods for DNNs commonly leave it to the human observer to distinguish relevant explanations from spurious noise. This is not feasible anymore when going from easily human-accessible data such as images to more complex data such as genome sequences. To facilitate the accessibility of DNN outputs from such complex data and to increase explainability, we present a modification of the widely used explanation method layer-wise relevance propagation. Our approach enforces sparsity directly by pruning the relevance propagation for the different layers. Thereby, we achieve sparser relevance attributions for the input features as well as for the intermediate layers. As the relevance propagation is input-specific, we aim to prune the relevance propagation rather than the underlying model architecture. This allows to prune different neurons for different inputs and hence, might be more appropriate to the local nature of explanation methods. To demonstrate the efficacy of our method, we evaluate it on two types of data: images and genome sequences. We show that our modification indeed leads to noise reduction and concentrates relevance on the most important features compared to the baseline.

Maximilian Kertel, Nadja Klein

We present a boosting-based method to learn additive Structural Equation Models (SEMs) from observational data, with a focus on the theoretical aspects of determining the causal order among variables. We introduce a family of score functions based on arbitrary regression techniques, for which we establish necessary conditions to consistently favor the true causal ordering. Our analysis reveals that boosting with early stopping meets these criteria and thus offers a consistent score function for causal orderings. To address the challenges posed by high-dimensional data sets, we adapt our approach through a component-wise gradient descent in the space of additive SEMs. Our simulation study underlines our theoretical results for lower dimensions and demonstrates that our high-dimensional adaptation is competitive with state-of-the-art methods. In addition, it exhibits robustness with respect to the choice of the hyperparameters making the procedure easy to tune.

Victor Medina-Olivares, Stefan Lessmann, Nadja Klein

We propose a novel method for predicting time-to-event in the presence of cure fractions based on flexible survivals models integrated into a deep neural network framework. Our approach allows for non-linear relationships and high-dimensional interactions between covariates and survival and is suitable for large-scale applications. Furthermore, we allow the method to incorporate an identified predictor formed of an additive decomposition of interpretable linear and non-linear effects and add an orthogonalization layer to capture potential higher dimensional interactions. We demonstrate the usefulness and computational efficiency of our method via simulations and apply it to a large portfolio of US mortgage loans. Here, we find not only a better predictive performance of our framework but also a more realistic picture of covariate effects.

Benedikt Lütke Schwienhorst, Lucas Kock, Nadja Klein et al.

Even though dropout is a popular regularization technique, its theoretical properties are not fully understood. In this paper we study dropout regularization in extended generalized linear models based on double exponential families, for which the dispersion parameter can vary with the features. A theoretical analysis shows that dropout regularization prefers rare but important features in both the mean and dispersion, generalizing an earlier result for conventional generalized linear models. To illustrate, we apply dropout to adaptive smoothing with B-splines, where both the mean and dispersion parameters are modeled flexibly. The important B-spline basis functions can be thought of as rare features, and we confirm in experiments that dropout is an effective form of regularization for mean and dispersion parameters that improves on a penalized maximum likelihood approach with an explicit smoothness penalty. An application to traffic detection data from Berlin further illustrates the benefits of our method.

Clara Hoffmann, Nadja Klein

End-to-end learners for autonomous driving are deep neural networks that predict the instantaneous steering angle directly from images of the ahead-lying street. These learners must provide reliable uncertainty estimates for their predictions in order to meet safety requirements and initiate a switch to manual control in areas of high uncertainty. Yet end-to-end learners typically only deliver point predictions, since distributional predictions are associated with large increases in training time or additional computational resources during prediction. To address this shortcoming we investigate efficient and scalable approximate inference for the implicit copula neural linear model of Klein, Nott and Smith (2021) in order to quantify uncertainty for the predictions of end-to-end learners. The result are densities for the steering angle that are marginally calibrated, i.e.~the average of the estimated densities equals the empirical distribution of steering angles. To ensure the scalability to large $n$ regimes, we develop efficient estimation based on variational inference as a fast alternative to computationally intensive, exact inference via Hamiltonian Monte Carlo. We demonstrate the accuracy and speed of the variational approach in comparison to Hamiltonian Monte Carlo on two end-to-end learners trained for highway driving using the comma2k19 data set. The implicit copula neural linear model delivers accurate calibration, high-quality prediction intervals and allows to identify overconfident learners. Our approach also contributes to the explainability of black-box end-to-end learners, since predictive densities can be used to understand which steering actions the end-to-end learner sees as valid.

David Rügamer, Chris Kolb, Cornelius Fritz et al.

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.

Nadja Klein, Michael Stanley Smith, David J. Nott

Recurrent neural networks (RNNs) with rich feature vectors of past values can provide accurate point forecasts for series that exhibit complex serial dependence. We propose two approaches to constructing deep time series probabilistic models based on a variant of RNN called an echo state network (ESN). The first is where the output layer of the ESN has stochastic disturbances and a shrinkage prior for additional regularization. The second approach employs the implicit copula of an ESN with Gaussian disturbances, which is a deep copula process on the feature space. Combining this copula with a non-parametrically estimated marginal distribution produces a deep distributional time series model. The resulting probabilistic forecasts are deep functions of the feature vector and also marginally calibrated. In both approaches, Bayesian Markov chain Monte Carlo methods are used to estimate the models and compute forecasts. The proposed models are suitable for the complex task of forecasting intraday electricity prices. Using data from the Australian National Electricity Market, we show that our deep time series models provide accurate short term probabilistic price forecasts, with the copula model dominating. Moreover, the models provide a flexible framework for incorporating probabilistic forecasts of electricity demand as additional features, which increases upper tail forecast accuracy from the copula model significantly.

David Rügamer, Chris Kolb, Nadja Klein

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's efficacy in numerical experiments and illustrate its special merits in benchmarks and real-world applications.

Nikolaus Umlauf, Nadja Klein, Thorsten Simon et al.

Over the last decades, the challenges in applied regression and in predictive modeling have been changing considerably: (1) More flexible model specifications are needed as big(ger) data become available, facilitated by more powerful computing infrastructure. (2) Full probabilistic modeling rather than predicting just means or expectations is crucial in many applications. (3) Interest in Bayesian inference has been increasing both as an appealing framework for regularizing or penalizing model estimation as well as a natural alternative to classical frequentist inference. However, while there has been a lot of research in all three areas, also leading to associated software packages, a modular software implementation that allows to easily combine all three aspects has not yet been available. For filling this gap, the R package bamlss is introduced for Bayesian additive models for location, scale, and shape (and beyond). At the core of the package are algorithms for highly-efficient Bayesian estimation and inference that can be applied to generalized additive models (GAMs) or generalized additive models for location, scale, and shape (GAMLSS), also known as distributional regression. However, its building blocks are designed as "Lego bricks" encompassing various distributions (exponential family, Cox, joint models, ...), regression terms (linear, splines, random effects, tensor products, spatial fields, ...), and estimators (MCMC, backfitting, gradient boosting, lasso, ...). It is demonstrated how these can be easily recombined to make classical models more flexible or create new custom models for specific modeling challenges.

Elisabeth Waldmann, David Taylor-Robinson, Nadja Klein et al.

Joint Models for longitudinal and time-to-event data have gained a lot of attention in the last few years as they are a helpful technique to approach common a data structure in clinical studies where longitudinal outcomes are recorded alongside event times. Those two processes are often linked and the two outcomes should thus be modeled jointly in order to prevent the potential bias introduced by independent modelling. Commonly, joint models are estimated in likelihood based expectation maximization or Bayesian approaches using frameworks where variable selection is problematic and which do not immediately work for high-dimensional data. In this paper, we propose a boosting algorithm tackling these challenges by being able to simultaneously estimate predictors for joint models and automatically select the most influential variables even in high-dimensional data situations. We analyse the performance of the new algorithm in a simulation study and apply it to the Danish cystic fibrosis registry which collects longitudinal lung function data on patients with cystic fibrosis together with data regarding the onset of pulmonary infections. This is the first approach to combine state-of-the art algorithms from the field of machine-learning with the model class of joint models, providing a fully data-driven mechanism to select variables and predictor effects in a unified framework of boosting joint models.