Fast Evaluation of Additive Kernels: Feature Arrangement, Fourier Methods, and Kernel Derivatives

One of the main computational bottlenecks when working with kernel based learning is dealing with the large and typically dense kernel matrix. Techniques dealing with fast approximations of the matrix vector product for these kernel matrices typically deteriorate in their performance if the feature vectors reside in higher-dimensional feature spaces. We here present a technique based on the non-equispaced fast Fourier transform (NFFT) with rigorous error analysis. We show that this approach is also well suited to allow the approximation of the matrix that arises when the kernel is differentiated with respect to the kernel hyperparameters; a problem often found in the training phase of methods such as Gaussian processes. We also provide an error analysis for this case. We illustrate the performance of the additive kernel scheme with fast matrix vector products on a number of data sets. Our code is available at https://github.com/wagnertheresa/NFFTAddKer

Can Vehicle Motion Planning Generalize to Realistic Long-tail Scenarios?

Real-world autonomous driving systems must make safe decisions in the face of rare and diverse traffic scenarios. Current state-of-the-art planners are mostly evaluated on real-world datasets like nuScenes (open-loop) or nuPlan (closed-loop). In particular, nuPlan seems to be an expressive evaluation method since it is based on real-world data and closed-loop, yet it mostly covers basic driving scenarios. This makes it difficult to judge a planner's capabilities to generalize to rarely-seen situations. Therefore, we propose a novel closed-loop benchmark interPlan containing several edge cases and challenging driving scenarios. We assess existing state-of-the-art planners on our benchmark and show that neither rule-based nor learning-based planners can safely navigate the interPlan scenarios. A recently evolving direction is the usage of foundation models like large language models (LLM) to handle generalization. We evaluate an LLM-only planner and introduce a novel hybrid planner that combines an LLM-based behavior planner with a rule-based motion planner that achieves state-of-the-art performance on our benchmark.

A Preconditioned Interior Point Method for Support Vector Machines Using an ANOVA-Decomposition and NFFT-Based Matrix-Vector Products

In this paper we consider the numerical solution to the soft-margin support vector machine optimization problem. This problem is typically solved using the SMO algorithm, given the high computational complexity of traditional optimization algorithms when dealing with large-scale kernel matrices. In this work, we propose employing an NFFT-accelerated matrix-vector product using an ANOVA decomposition for the feature space that is used within an interior point method for the overall optimization problem. As this method requires the solution of a linear system of saddle point form we suggest a preconditioning approach that is based on low-rank approximations of the kernel matrix together with a Krylov subspace solver. We compare the accuracy of the ANOVA-based kernel with the default LIBSVM implementation. We investigate the performance of the different preconditioners as well as the accuracy of the ANOVA kernel on several large-scale datasets.

Rethinking Integration of Prediction and Planning in Deep Learning-Based Automated Driving Systems: A Review

Automated driving has the potential to revolutionize personal, public, and freight mobility. Besides the enormous challenge of perception, i.e. accurately perceiving the environment using available sensor data, automated driving comprises planning a safe, comfortable, and efficient motion trajectory. To promote safety and progress, many works rely on modules that predict the future motion of surrounding traffic. Modular automated driving systems commonly handle prediction and planning as sequential separate tasks. While this accounts for the influence of surrounding traffic on the ego-vehicle, it fails to anticipate the reactions of traffic participants to the ego-vehicle's behavior. Recent works suggest that integrating prediction and planning in an interdependent joint step is necessary to achieve safe, efficient, and comfortable driving. While various models implement such integrated systems, a comprehensive overview and theoretical understanding of different principles are lacking. We systematically review state-of-the-art deep learning-based prediction, planning, and integrated prediction and planning models. Different facets of the integration ranging from model architecture and model design to behavioral aspects are considered and related to each other. Moreover, we discuss the implications, strengths, and limitations of different integration methods. By pointing out research gaps, describing relevant future challenges, and highlighting trends in the research field, we identify promising directions for future research.

Stay on Track: A Frenet Wrapper to Overcome Off-road Trajectories in Vehicle Motion Prediction

Predicting the future motion of observed vehicles is a crucial enabler for safe autonomous driving. The field of motion prediction has seen large progress recently with State-of-the-Art (SotA) models achieving impressive results on large-scale public benchmarks. However, recent work revealed that learning-based methods are prone to predict off-road trajectories in challenging scenarios. These can be created by perturbing existing scenarios with additional turns in front of the target vehicle while the motion history is left unchanged. We argue that this indicates that SotA models do not consider the map information sufficiently and demonstrate how this can be solved, by representing model inputs and outputs in a Frenet frame defined by lane centreline sequences. To this end, we present a general wrapper that leverages a Frenet representation of the scene and that can be applied to SotA models without changing their architecture. We demonstrate the effectiveness of this approach in a comprehensive benchmark using two SotA motion prediction models. Our experiments show that this reduces the off-road rate on challenging scenarios by more than 90\%, without sacrificing average performance.

Scaling Planning for Automated Driving using Simplistic Synthetic Data

We challenge the perceived consensus that the application of deep learning to solve the automated driving planning task requires a huge amount of real-world data or a realistic simulator. Using a roundabout scenario, we show that this requirement can be relaxed in favour of targeted, simplistic simulated data. A benefit is that such data can be easily generated for critical scenarios that are typically underrepresented in realistic datasets. By applying vanilla behavioural cloning almost exclusively to lightweight simulated data, we achieve reliable and comfortable real-world driving. Our key insight lies in an incremental development approach that includes regular in-vehicle testing to identify sim-to-real gaps, targeted data augmentation, and training scenario variations. In addition to the methodology, we offer practical guidelines for deploying such a policy within a real-world vehicle, along with insights of the resulting qualitative driving behaviour. This approach serves as a blueprint for many automated driving use cases, providing valuable insights for future research and helping develop efficient and effective solutions.

A weighted subspace exponential kernel for support tensor machines

High-dimensional data in the form of tensors are challenging for kernel classification methods. To both reduce the computational complexity and extract informative features, kernels based on low-rank tensor decompositions have been proposed. However, what decisive features of the tensors are exploited by these kernels is often unclear. In this paper we propose a novel kernel that is based on the Tucker decomposition. For this kernel the Tucker factors are computed based on re-weighting of the Tucker matrices with tuneable powers of singular values from the HOSVD decomposition. This provides a mechanism to balance the contribution of the Tucker core and factors of the data. We benchmark support tensor machines with this new kernel on several datasets. First we generate synthetic data where two classes differ in either Tucker factors or core, and compare our novel and previously existing kernels. We show robustness of the new kernel with respect to both classification scenarios. We further test the new method on real-world datasets. The proposed kernel has demonstrated a higher test accuracy than the state-of-the-art tensor train multi-way multi-level kernel, and a significantly lower computational time.

From Prediction to Planning With Goal Conditioned Lane Graph Traversals

The field of motion prediction for automated driving has seen tremendous progress recently, bearing ever-more mighty neural network architectures. Leveraging these powerful models bears great potential for the closely related planning task. In this letter we propose a novel goal-conditioning method and show its potential to transform a state-of-the-art prediction model into a goal-directed planner. Our key insight is that conditioning prediction on a navigation goal at the behaviour level outperforms other widely adopted methods, with the additional benefit of increased model interpretability. We train our model on a large open-source dataset and show promising performance in a comprehensive benchmark.

Gibbs-Helmholtz Graph Neural Network: capturing the temperature dependency of activity coefficients at infinite dilution

The accurate prediction of physicochemical properties of chemical compounds in mixtures (such as the activity coefficient at infinite dilution $\gamma_{ij}^\infty$) is essential for developing novel and more sustainable chemical processes. In this work, we analyze the performance of previously-proposed GNN-based models for the prediction of $\gamma_{ij}^\infty$, and compare them with several mechanistic models in a series of 9 isothermal studies. Moreover, we develop the Gibbs-Helmholtz Graph Neural Network (GH-GNN) model for predicting $\ln \gamma_{ij}^\infty$ of molecular systems at different temperatures. Our method combines the simplicity of a Gibbs-Helmholtz-derived expression with a series of graph neural networks that incorporate explicit molecular and intermolecular descriptors for capturing dispersion and hydrogen bonding effects. We have trained this model using experimentally determined $\ln \gamma_{ij}^\infty$ data of 40,219 binary-systems involving 1032 solutes and 866 solvents, overall showing superior performance compared to the popular UNIFAC-Dortmund model. We analyze the performance of GH-GNN for continuous and discrete inter/extrapolation and give indications for the model's applicability domain and expected accuracy. In general, GH-GNN is able to produce accurate predictions for extrapolated binary-systems if at least 25 systems with the same combination of solute-solvent chemical classes are contained in the training set and a similarity indicator above 0.35 is also present. This model and its applicability domain recommendations have been made open-source at https://github.com/edgarsmdn/GH-GNN.

A comparison of PINN approaches for drift-diffusion equations on metric graphs

In this paper we focus on comparing machine learning approaches for quantum graphs, which are metric graphs, i.e., graphs with dedicated edge lengths, and an associated differential operator. In our case the differential equation is a drift-diffusion model. Computational methods for quantum graphs require a careful discretization of the differential operator that also incorporates the node conditions, in our case Kirchhoff-Neumann conditions. Traditional numerical schemes are rather mature but have to be tailored manually when the differential equation becomes the constraint in an optimization problem. Recently, physics informed neural networks (PINNs) have emerged as a versatile tool for the solution of partial differential equations from a range of applications. They offer flexibility to solve parameter identification or optimization problems by only slightly changing the problem formulation used for the forward simulation. We compare several PINN approaches for solving the drift-diffusion on the metric graph.