Niggemann, Oliver
Laplace-Net: Learning Dynamical Systems with External Forcing
Zimmering, Bernd, Coelho, Cecília, Gupta, Vaibhav, Maleshkova, Maria, Niggemann, Oliver
Modelling forced dynamical systems - where an external input drives the system state - is critical across diverse domains such as engineering, finance, and the natural sciences. In this work, we propose Laplace-Net, a decoupled, solver-free neural framework for learning forced and delay-aware systems. It leverages a Laplace transform-based approach to decompose internal dynamics, external inputs, and initial values into established theoretical concepts, enhancing interpretability. Laplace-Net promotes transferability since the system can be rapidly re-trained or fine-tuned for new forcing signals, providing flexibility in applications ranging from controller adaptation to long-horizon forecasting. Experimental results on eight benchmark datasets - including linear, non-linear, and delayed systems - demonstrate the method's improved accuracy and robustness compared to state-of-the-art approaches, particularly in handling complex and previously unseen inputs.
AAAI Workshop on AI Planning for Cyber-Physical Systems -- CAIPI24
Niggemann, Oliver, Biswas, Gautam, Diedrich, Alexander, Ehrhardt, Jonas, Heesch, René, Widulle, Niklas
The workshop 'AI-based Planning for Cyber-Physical Systems', which took place on February 26, 2024, as part of the 38th Annual AAAI Conference on Artificial Intelligence in Vancouver, Canada, brought together researchers to discuss recent advances in AI planning methods for Cyber-Physical Systems (CPS). CPS pose a major challenge due to their complexity and data-intensive nature, which often exceeds the capabilities of traditional planning algorithms. The workshop highlighted new approaches such as neuro-symbolic architectures, large language models (LLMs), deep reinforcement learning and advances in symbolic planning. These techniques are promising when it comes to managing the complexity of CPS and have potential for real-world applications.
Design Principles for Falsifiable, Replicable and Reproducible Empirical ML Research
Vranješ, Daniel, Niggemann, Oliver
Empirical research plays a fundamental role in the machine learning domain. At the heart of impactful empirical research lies the development of clear research hypotheses, which then shape the design of experiments. The execution of experiments must be carried out with precision to ensure reliable results, followed by statistical analysis to interpret these outcomes. This process is key to either supporting or refuting initial hypotheses. Despite its importance, there is a high variability in research practices across the machine learning community and no uniform understanding of quality criteria for empirical research. To address this gap, we propose a model for the empirical research process, accompanied by guidelines to uphold the validity of empirical research. By embracing these recommendations, greater consistency, enhanced reliability and increased impact can be achieved.
On the Convergence of Locally Adaptive and Scalable Diffusion-Based Sampling Methods for Deep Bayesian Neural Network Posteriors
Rensmeyer, Tim, Niggemann, Oliver
Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural network's prediction. Bayesian neural networks are a promising approach for modeling uncertainties in deep neural networks. Unfortunately, generating samples from the posterior distribution of neural networks is a major challenge. One significant advance in that direction would be the incorporation of adaptive step sizes, similar to modern neural network optimizers, into Monte Carlo Markov chain sampling algorithms without significantly increasing computational demand. Over the past years, several papers have introduced sampling algorithms with claims that they achieve this property. However, do they indeed converge to the correct distribution? In this paper, we demonstrate that these methods can have a substantial bias in the distribution they sample, even in the limit of vanishing step sizes and at full batch size.
Position Paper on Materials Design -- A Modern Approach
Grossmann, Willi, Eilermann, Sebastian, Rensmeyer, Tim, Liebert, Artur, Hohmann, Michael, Wittke, Christian, Niggemann, Oliver
Traditional design cycles for new materials and assemblies have two fundamental drawbacks. The underlying physical relationships are often too complex to be precisely calculated and described. Aside from that, many unknown uncertainties, such as exact manufacturing parameters or materials composition, dominate the real assembly behavior. Machine learning (ML) methods overcome these fundamental limitations through data-driven learning. In addition, modern approaches can specifically increase system knowledge. Representation Learning allows the physical, and if necessary, even symbolic interpretation of the learned solution. In this way, the most complex physical relationships can be considered and quickly described. Furthermore, generative ML approaches can synthesize possible morphologies of the materials based on defined conditions to visualize the effects of uncertainties. This modern approach accelerates the design process for new materials and enables the prediction and interpretation of realistic materials behavior.
Diagnosis driven Anomaly Detection for CPS
Steude, Henrik S., Moddemann, Lukas, Diedrich, Alexander, Ehrhardt, Jonas, Niggemann, Oliver
Diagnosing system failures, a process that identifies the root causes of malfunctions, is a critical task in many Cyber-Physical Systems (CPS) applications. The growing complexity of CPS has made it increasingly important to develop diagnostic approaches to ensure their robustness and reliability. Consistency-Based Diagnosis (CBD) has become the state-of-the-art for complex CPS when limited or no information about possible faults is available [Reiter, 1987, Diedrich and Niggemann, 2022]. CBD requires models that represent the normal working behavior of the CPS, typically formulated using propositional logic, comprising symbols for individual components within the system. Furthermore, CBD needs discrete health states of the system's components, known as observations. These health states are often generated through anomaly detection methods [Jung et al., 2018, 2016]. However, diagnosis and anomaly detection are often treated separately in the literature. Current research in anomaly detection for multivariate time series often employs deep learning methods to identify anomalies at the system level or for individual signals [Garg et al., 2022].
Discret2Di -- Deep Learning based Discretization for Model-based Diagnosis
Moddemann, Lukas, Steude, Henrik Sebastian, Diedrich, Alexander, Niggemann, Oliver
Consistency-based diagnosis is an established approach to diagnose technical applications, but suffers from significant modeling efforts, especially for dynamic multi-modal time series. Machine learning seems to be an obvious solution, which becomes less obvious when looking at details: Which notion of consistency can be used? If logical calculi are still to be used, how can dynamic time series be transferred into the discrete world? This paper presents the methodology Discret2Di for automated learning of logical expressions for consistency-based diagnosis. While these logical calculi have advantages by providing a clear notion of consistency, they have the key problem of relying on a discretization of the dynamic system. The solution presented combines machine learning from both the time series and the symbolic domain to automate the learning of logical rules for consistency-based diagnosis.
A Generative Neural Network Approach for 3D Multi-Criteria Design Generation and Optimization of an Engine Mount for an Unmanned Air Vehicle
Petroll, Christoph, Eilermann, Sebastian, Hoefer, Philipp, Niggemann, Oliver
One of the most promising developments in computer vision in recent years is the use of generative neural networks for functionality condition-based 3D design reconstruction and generation. Here, neural networks learn dependencies between functionalities and a geometry in a very effective way. For a neural network the functionalities are translated in conditions to a certain geometry. But the more conditions the design generation needs to reflect, the more difficult it is to learn clear dependencies. This leads to a multi criteria design problem due various conditions, which are not considered in the neural network structure so far. In this paper, we address this multi-criteria challenge for a 3D design use case related to an unmanned aerial vehicle (UAV) motor mount. We generate 10,000 abstract 3D designs and subject them all to simulations for three physical disciplines: mechanics, thermodynamics, and aerodynamics. Then, we train a Conditional Variational Autoencoder (CVAE) using the geometry and corresponding multicriteria functional constraints as input. We use our trained CVAE as well as the Marching cubes algorithm to generate meshes for simulation based evaluation. The results are then evaluated with the generated UAV designs. Subsequently, we demonstrate the ability to generate optimized designs under self-defined functionality conditions using the trained neural network.
Graph Structural Residuals: A Learning Approach to Diagnosis
Augustin, Jan Lukas, Niggemann, Oliver
Traditional model-based diagnosis relies on constructing explicit system models, a process that can be laborious and expertise-demanding. In this paper, we propose a novel framework that combines concepts of model-based diagnosis with deep graph structure learning. This data-driven approach leverages data to learn the system's underlying structure and provide dynamic observations, represented by two distinct graph adjacency matrices. Our work facilitates a seamless integration of graph structure learning with model-based diagnosis by making three main contributions: (i) redefining the constructs of system representation, observations, and faults (ii) introducing two distinct versions of a self-supervised graph structure learning model architecture and (iii) demonstrating the potential of our data-driven diagnostic method through experiments on a system of coupled oscillators.
Using Autoencoders and AutoDiff to Reconstruct Missing Variables in a Set of Time Series
Roche, Jan-Philipp, Niggemann, Oliver, Friebe, Jens
Existing black box modeling approaches in machine learning suffer from a fixed input and output feature combination. In this paper, a new approach to reconstruct missing variables in a set of time series is presented. An autoencoder is trained as usual with every feature on both sides and the neural network parameters are fixed after this training. Then, the searched variables are defined as missing variables at the autoencoder input and optimized via automatic differentiation. This optimization is performed with respect to the available features loss calculation. With this method, different input and output feature combinations of the trained model can be realized by defining the searched variables as missing variables and reconstructing them. The combination can be changed without training the autoencoder again. The approach is evaluated on the base of a strongly nonlinear electrical component. It is working well for one of four variables missing and generally even for multiple missing variables.