Semi-Supervised Learning of Dynamical Systems with Neural Ordinary Differential Equations: A Teacher-Student Model Approach

Modeling dynamical systems is crucial for a wide range of tasks, but it remains challenging due to complex nonlinear dynamics, limited observations, or lack of prior knowledge. Recently, data-driven approaches such as Neural Ordinary Differential Equations (NODE) have shown promising results by leveraging the expressive power of neural networks to model unknown dynamics. However, these approaches often suffer from limited labeled training data, leading to poor generalization and suboptimal predictions. On the other hand, semi-supervised algorithms can utilize abundant unlabeled data and have demonstrated good performance in classification and regression tasks. We propose TS-NODE, the first semi-supervised approach to modeling dynamical systems with NODE. TS-NODE explores cheaply generated synthetic pseudo rollouts to broaden exploration in the state space and to tackle the challenges brought by lack of ground-truth system data under a teacher-student model. TS-NODE employs an unified optimization framework that corrects the teacher model based on the student's feedback while mitigating the potential false system dynamics present in pseudo rollouts. TS-NODE demonstrates significant performance improvements over a baseline Neural ODE model on multiple dynamical system modeling tasks.

Uncertainty Aware Deep Learning for Particle Accelerators

Standard deep learning models for classification and regression applications are ideal for capturing complex system dynamics. However, their predictions can be arbitrarily inaccurate when the input samples are not similar to the training data. Implementation of distance aware uncertainty estimation can be used to detect these scenarios and provide a level of confidence associated with their predictions. In this paper, we present results from using Deep Gaussian Process Approximation (DGPA) methods for errant beam prediction at Spallation Neutron Source (SNS) accelerator (classification) and we provide an uncertainty aware surrogate model for the Fermi National Accelerator Lab (FNAL) Booster Accelerator Complex (regression).

Extreme Risk Mitigation in Reinforcement Learning using Extreme Value Theory

Risk-sensitive reinforcement learning (RL) has garnered significant attention in recent years due to the growing interest in deploying RL agents in real-world scenarios. A critical aspect of risk awareness involves modeling highly rare risk events (rewards) that could potentially lead to catastrophic outcomes. These infrequent occurrences present a formidable challenge for data-driven methods aiming to capture such risky events accurately. While risk-aware RL techniques do exist, their level of risk aversion heavily relies on the precision of the state-action value function estimation when modeling these rare occurrences. Our work proposes to enhance the resilience of RL agents when faced with very rare and risky events by focusing on refining the predictions of the extreme values predicted by the state-action value function distribution. To achieve this, we formulate the extreme values of the state-action value function distribution as parameterized distributions, drawing inspiration from the principles of extreme value theory (EVT). This approach effectively addresses the issue of infrequent occurrence by leveraging EVT-based parameterization. Importantly, we theoretically demonstrate the advantages of employing these parameterized distributions in contrast to other risk-averse algorithms. Our evaluations show that the proposed method outperforms other risk averse RL algorithms on a diverse range of benchmark tasks, each encompassing distinct risk scenarios.

A comparison of machine learning surrogate models of street-scale flooding in Norfolk, Virginia

Low-lying coastal cities, exemplified by Norfolk, Virginia, face the challenge of street flooding caused by rainfall and tides, which strain transportation and sewer systems and can lead to property damage. While high-fidelity, physics-based simulations provide accurate predictions of urban pluvial flooding, their computational complexity renders them unsuitable for real-time applications. Using data from Norfolk rainfall events between 2016 and 2018, this study compares the performance of a previous surrogate model based on a random forest algorithm with two deep learning models: Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU). This investigation underscores the importance of using a model architecture that supports the communication of prediction uncertainty and the effective integration of relevant, multi-modal features.

Distance Preserving Machine Learning for Uncertainty Aware Accelerator Capacitance Predictions

Providing accurate uncertainty estimations is essential for producing reliable machine learning models, especially in safety-critical applications such as accelerator systems. Gaussian process models are generally regarded as the gold standard method for this task, but they can struggle with large, high-dimensional datasets. Combining deep neural networks with Gaussian process approximation techniques have shown promising results, but dimensionality reduction through standard deep neural network layers is not guaranteed to maintain the distance information necessary for Gaussian process models. We build on previous work by comparing the use of the singular value decomposition against a spectral-normalized dense layer as a feature extractor for a deep neural Gaussian process approximation model and apply it to a capacitance prediction problem for the High Voltage Converter Modulators in the Oak Ridge Spallation Neutron Source. Our model shows improved distance preservation and predicts in-distribution capacitance values with less than 1% error.

Multi-module based CVAE to predict HVCM faults in the SNS accelerator

We present a multi-module framework based on Conditional Variational Autoencoder (CVAE) to detect anomalies in the power signals coming from multiple High Voltage Converter Modulators (HVCMs). We condition the model with the specific modulator type to capture different representations of the normal waveforms and to improve the sensitivity of the model to identify a specific type of fault when we have limited samples for a given module type. We studied several neural network (NN) architectures for our CVAE model and evaluated the model performance by looking at their loss landscape for stability and generalization. Our results for the Spallation Neutron Source (SNS) experimental data show that the trained model generalizes well to detecting multiple fault types for several HVCM module types. The results of this study can be used to improve the HVCM reliability and overall SNS uptime

Artificial Intelligence and Machine Learning in Nuclear Physics

Advances in artificial intelligence/machine learning methods provide tools that have broad applicability in scientific research. These techniques are being applied across the diversity of nuclear physics research topics, leading to advances that will facilitate scientific discoveries and societal applications. This Review gives a snapshot of nuclear physics research which has been transformed by artificial intelligence and machine learning techniques.

Uncertainty aware anomaly detection to predict errant beam pulses in the SNS accelerator

High-power particle accelerators are complex machines with thousands of pieces of equipmentthat are frequently running at the cutting edge of technology. In order to improve the day-to-dayoperations and maximize the delivery of the science, new analytical techniques are being exploredfor anomaly detection, classification, and prognostications. As such, we describe the applicationof an uncertainty aware Machine Learning method, the Siamese neural network model, to predictupcoming errant beam pulses using the data from a single monitoring device. By predicting theupcoming failure, we can stop the accelerator before damage occurs. We describe the acceleratoroperation, related Machine Learning research, the prediction performance required to abort beamwhile maintaining operations, the monitoring device and its data, and the Siamese method andits results. These results show that the researched method can be applied to improve acceleratoroperations.

Deep Learning on Operational Facility Data Related to Large-Scale Distributed Area Scientific Workflows

Distributed computing platforms provide a robust mechanism to perform large-scale computations by splitting the task and data among multiple locations, possibly located thousands of miles apart geographically. Although such distribution of resources can lead to benefits, it also comes with its associated problems such as rampant duplication of file transfers increasing congestion, long job completion times, unexpected site crashing, suboptimal data transfer rates, unpredictable reliability in a time range, and suboptimal usage of storage elements. In addition, each sub-system becomes a potential failure node that can trigger system wide disruptions. In this vision paper, we outline our approach to leveraging Deep Learning algorithms to discover solutions to unique problems that arise in a system with computational infrastructure that is spread over a wide area. The presented vision, motivated by a real scientific use case from Belle II experiments, is to develop multilayer neural networks to tackle forecasting, anomaly detection and optimization challenges in a complex and distributed data movement environment. Through this vision based on Deep Learning principles, we aim to achieve reduced congestion events, faster file transfer rates, and enhanced site reliability.