Learning Graphical Models
A Survey on the Integration of Machine Learning with Sampling-based Motion Planning
McMahon, Troy, Sivaramakrishnan, Aravind, Granados, Edgar, Bekris, Kostas E.
Sampling-based methods are widely adopted solutions for robot motion planning. The methods are straightforward to implement, effective in practice for many robotic systems. It is often possible to prove that they have desirable properties, such as probabilistic completeness and asymptotic optimality. Nevertheless, they still face challenges as the complexity of the underlying planning problem increases, especially under tight computation time constraints, which impact the quality of returned solutions or given inaccurate models. This has motivated machine learning to improve the computational efficiency and applicability of Sampling-Based Motion Planners (SBMPs). This survey reviews such integrative efforts and aims to provide a classification of the alternative directions that have been explored in the literature. It first discusses how learning has been used to enhance key components of SBMPs, such as node sampling, collision detection, distance or nearest neighbor computation, local planning, and termination conditions. Then, it highlights planners that use learning to adaptively select between different implementations of such primitives in response to the underlying problem's features. It also covers emerging methods, which build complete machine learning pipelines that reflect the traditional structure of SBMPs. It also discusses how machine learning has been used to provide data-driven models of robots, which can then be used by a SBMP. Finally, it provides a comparative discussion of the advantages and disadvantages of the approaches covered, and insights on possible future directions of research. An online version of this survey can be found at: https://prx-kinodynamic.github.io/
Data efficient surrogate modeling for engineering design: Ensemble-free batch mode deep active learning for regression
Vardhan, Harsh, Timalsina, Umesh, Volgyesi, Peter, Sztipanovits, Janos
In a computer-aided engineering design optimization problem that involves notoriously complex and time-consuming simulator, the prevalent approach is to replace these simulations with a data-driven surrogate that approximates the simulator's behavior at a much cheaper cost. The main challenge in creating an inexpensive data-driven surrogate is the generation of a sheer number of data using these computationally expensive numerical simulations. In such cases, Active Learning (AL) methods have been used that attempt to learn an input--output behavior while labeling the fewest samples possible. The current trend in AL for a regression problem is dominated by the Bayesian framework that needs training an ensemble of learning models that makes surrogate training computationally tedious if the underlying learning model is Deep Neural Networks (DNNs). However, DNNs have an excellent capability to learn highly nonlinear and complex relationships even for a very high dimensional problem. To leverage the excellent learning capability of deep networks along with avoiding the computational complexity of the Bayesian paradigm, in this work we propose a simple and scalable approach for active learning that works in a student-teacher manner to train a surrogate model. By using this proposed approach, we are able to achieve the same level of surrogate accuracy as the other baselines like DBAL and Monte Carlo sampling with up to 40 % fewer samples. We empirically evaluated this method on multiple use cases including three different engineering design domains:finite element analysis, computational fluid dynamics, and propeller design.
Prediction and Uncertainty Quantification of SAFARI-1 Axial Neutron Flux Profiles with Neural Networks
Moloko, Lesego E., Bokov, Pavel M., Wu, Xu, Ivanov, Kostadin N.
Artificial Neural Networks (ANNs) have been successfully used in various nuclear engineering applications, such as predicting reactor physics parameters within reasonable time and with a high level of accuracy. Despite this success, they cannot provide information about the model prediction uncertainties, making it difficult to assess ANN prediction credibility, especially in extrapolated domains. In this study, Deep Neural Networks (DNNs) are used to predict the assembly axial neutron flux profiles in the SAFARI-1 research reactor, with quantified uncertainties in the ANN predictions and extrapolation to cycles not used in the training process. The training dataset consists of copper-wire activation measurements, the axial measurement locations and the measured control bank positions obtained from the reactor's historical cycles. Uncertainty Quantification of the regular DNN models' predictions is performed using Monte Carlo Dropout (MCD) and Bayesian Neural Networks solved by Variational Inference (BNN VI). The regular DNNs, DNNs solved with MCD and BNN VI results agree very well among each other as well as with the new measured dataset not used in the training process, thus indicating good prediction and generalization capability. The uncertainty bands produced by MCD and BNN VI agree very well, and in general, they can fully envelop the noisy measurement data points. The developed ANNs are useful in supporting the experimental measurements campaign and neutronics code Verification and Validation (V&V).
Exploring Supervised Machine Learning for Multi-Phase Identification and Quantification from Powder X-Ray Diffraction Spectra
Greasley, Jaimie, Hosein, Patrick
Powder X-ray diffraction analysis is a critical component of materials characterization methodologies. Discerning characteristic Bragg intensity peaks and assigning them to known crystalline phases is the first qualitative step of evaluating diffraction spectra. Subsequent to phase identification, Rietveld refinement may be employed to extract the abundance of quantitative, material-specific parameters hidden within powder data. These characterization procedures are yet time-consuming and inhibit efficiency in materials science workflows. The ever-increasing popularity and propulsion of data science techniques has provided an obvious solution on the course towards materials analysis automation. Deep learning has become a prime focus for predicting crystallographic parameters and features from X-ray spectra. However, the infeasibility of curating large, well-labelled experimental datasets means that one must resort to a large number of theoretic simulations for powder data augmentation to effectively train deep models. Herein, we are interested in conventional supervised learning algorithms in lieu of deep learning for multi-label crystalline phase identification and quantitative phase analysis for a biomedical application. First, models were trained using very limited experimental data. Further, we incorporated simulated XRD data to assess model generalizability as well as the efficacy of simulation-based training for predictive analysis in a real-world X-ray diffraction application.
Neural Bayesian Network Understudy
Rabaey, Paloma, De Boom, Cedric, Demeester, Thomas
Bayesian Networks may be appealing for clinical decision-making due to their inclusion of causal knowledge, but their practical adoption remains limited as a result of their inability to deal with unstructured data. While neural networks do not have this limitation, they are not interpretable and are inherently unable to deal with causal structure in the input space. Our goal is to build neural networks that combine the advantages of both approaches. Motivated by the perspective to inject causal knowledge while training such neural networks, this work presents initial steps in that direction. We demonstrate how a neural network can be trained to output conditional probabilities, providing approximately the same functionality as a Bayesian Network. Additionally, we propose two training strategies that allow encoding the independence relations inferred from a given causal structure into the neural network.
Coordination for Connected and Automated Vehicles at Non-signalized Intersections: A Value Decomposition-based Multiagent Deep Reinforcement Learning Approach
Guo, Zihan, Wu, Yan, Wang, Lifang, Zhang, Junzhi
The recent proliferation of the research on multi-agent deep reinforcement learning (MDRL) offers an encouraging way to coordinate multiple connected and automated vehicles (CAVs) to pass the intersection. In this paper, we apply a value decomposition-based MDRL approach (QMIX) to control various CAVs in mixed-autonomy traffic of different densities to efficiently and safely pass the non-signalized intersection with fairish fuel consumption. Implementation tricks including network-level improvements, Q value update by TD ($\lambda$), and reward clipping operation are added to the pure QMIX framework, which is expected to improve the convergence speed and the asymptotic performance of the original version. The efficacy of our approach is demonstrated by several evaluation metrics: average speed, the number of collisions, and average fuel consumption per episode. The experimental results show that our approach's convergence speed and asymptotic performance can exceed that of the original QMIX and the proximal policy optimization (PPO), a state-of-the-art reinforcement learning baseline applied to the non-signalized intersection. Moreover, CAVs under the lower traffic flow controlled by our method can improve their average speed without collisions and consume the least fuel. The training is additionally conducted under the doubled traffic density, where the learning reward converges. Consequently, the model with maximal reward and minimum crashes can still guarantee low fuel consumption, but slightly reduce the efficiency of vehicles and induce more collisions than the lower-traffic counterpart, implying the difficulty of generalizing RL policy to more advanced scenarios.
Hierarchical autoregressive neural networks for statistical systems
Białas, Piotr, Korcyl, Piotr, Stebel, Tomasz
It was recently proposed that neural networks could be used to approximate many-dimensional probability distributions that appear e.g. in lattice field theories or statistical mechanics. Subsequently they can be used as variational approximators to asses extensive properties of statistical systems, like free energy, and also as neural samplers used in Monte Carlo simulations. The practical application of this approach is unfortunately limited by its unfavorable scaling both of the numerical cost required for training, and the memory requirements with the system size. This is due to the fact that the original proposition involved a neural network of width which scaled with the total number of degrees of freedom, e.g. $L^2$ in case of a two dimensional $L\times L$ lattice. In this work we propose a hierarchical association of physical degrees of freedom, for instance spins, to neurons which replaces it with the scaling with the linear extent $L$ of the system. We demonstrate our approach on the two-dimensional Ising model by simulating lattices of various sizes up to $128 \times 128$ spins, with time benchmarks reaching lattices of size $512 \times 512$. We observe that our proposal improves the quality of neural network training, i.e. the approximated probability distribution is closer to the target that could be previously achieved. As a consequence, the variational free energy reaches a value closer to its theoretical expectation and, if applied in a Markov Chain Monte Carlo algorithm, the resulting autocorrelation time is smaller. Finally, the replacement of a single neural network by a hierarchy of smaller networks considerably reduces the memory requirements.
On the Performance of Direct Loss Minimization for Bayesian Neural Networks
Direct Loss Minimization (DLM) has been proposed as a pseudo-Bayesian method motivated as regularized loss minimization. Compared to variational inference, it replaces the loss term in the evidence lower bound (ELBO) with the predictive log loss, which is the same loss function used in evaluation. A number of theoretical and empirical results in prior work suggest that DLM can significantly improve over ELBO optimization for some models. However, as we point out in this paper, this is not the case for Bayesian neural networks (BNNs). The paper explores the practical performance of DLM for BNN, the reasons for its failure and its relationship to optimizing the ELBO, uncovering some interesting facts about both algorithms.
Asynchronous Bayesian Learning over a Network
Bhar, Kinjal, Bai, He, George, Jemin, Busart, Carl
Often the data that a model needs to be trained on is distributed among multiple computing agents and it cannot be accrued in a single server location because of logistical constraints such as memory, efficient data sharing means, or confidentiality requirements due to sensitive nature of the data. However, the need arises to train the same model with the entire distributed data. Isolated training individually by the agents with their local data may lead to overfitted models as the training data is limited. Besides, training such isolated models on different agents is redundant as more parameter updates have to be performed by the isolated models to reach a certain level of accuracy as compared to what can be achieved by sharing information. Distributed learning aims to leverage the full distributed data by a coordinated training among all the agents where the agents are allowed to share partial information (usually the learned model parameters or their gradients) without sharing any raw data.