Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in most spatiotemporal GNNs, the computational complexity scales up to a quadratic factor with the length of the sequence times the number of links in the graph, hence hindering the application of these models to large graphs and long temporal sequences. While methods to improve scalability have been proposed in the context of static graphs, few research efforts have been devoted to the spatiotemporal case. To fill this gap, we propose a scalable architecture that exploits an efficient encoding of both temporal and spatial dynamics. In particular, we use a randomized recurrent neural network to embed the history of the input time series into high-dimensional state representations encompassing multi-scale temporal dynamics. Such representations are then propagated along the spatial dimension using different powers of the graph adjacency matrix to generate node embeddings characterized by a rich pool of spatiotemporal features. The resulting node embeddings can be efficiently pre-computed in an unsupervised manner, before being fed to a feed-forward decoder that learns to map the multi-scale spatiotemporal representations to predictions. The training procedure can then be parallelized node-wise by sampling the node embeddings without breaking any dependency, thus enabling scalability to large networks. Empirical results on relevant datasets show that our approach achieves results competitive with the state of the art, while dramatically reducing the computational burden.

Time series forecasting (TSF) is one of the most important tasks in data science given the fact that accurate time series (TS) predictive models play a major role across a wide variety of domains including finance, transportation, health care, and power systems. Real-world utilization of machine learning (ML) typically involves (pre-)training models on collected, historical data and then applying them to unseen data points. However, in real-world applications, time series data streams are usually non-stationary and trained ML models usually, over time, face the problem of data or concept drift. To address this issue, models must be periodically retrained or redesigned, which takes significant human and computational resources. Additionally, historical data may not even exist to re-train or re-design model with. As a result, it is highly desirable that models are designed and trained in an online fashion. This work presents the Online NeuroEvolution-based Neural Architecture Search (ONE-NAS) algorithm, which is a novel neural architecture search method capable of automatically designing and dynamically training recurrent neural networks (RNNs) for online forecasting tasks. Without any pre-training, ONE-NAS utilizes populations of RNNs that are continuously updated with new network structures and weights in response to new multivariate input data. ONE-NAS is tested on real-world, large-scale multivariate wind turbine data as well as the univariate Dow Jones Industrial Average (DJIA) dataset. Results demonstrate that ONE-NAS outperforms traditional statistical time series forecasting methods, including online linear regression, fixed long short-term memory (LSTM) and gated recurrent unit (GRU) models trained online, as well as state-of-the-art, online ARIMA strategies.

The rapidly increasing size of deep-learning models has caused renewed and growing interest in alternatives to digital computers to dramatically reduce the energy cost of running state-of-the-art neural networks. Optical matrix-vector multipliers are best suited to performing computations with very large operands, which suggests that large Transformer models could be a good target for optical computing. To test this idea, we performed small-scale optical experiments with a prototype accelerator to demonstrate that Transformer operations can run on optical hardware despite noise and errors. Using simulations, validated by our experiments, we then explored the energy efficiency of optical implementations of Transformers and identified scaling laws for model performance with respect to optical energy usage. We found that the optical energy per multiply-accumulate (MAC) scales as $\frac{1}{d}$ where $d$ is the Transformer width, an asymptotic advantage over digital systems. We conclude that with well-engineered, large-scale optical hardware, it may be possible to achieve a $100 \times$ energy-efficiency advantage for running some of the largest current Transformer models, and that if both the models and the optical hardware are scaled to the quadrillion-parameter regime, optical computers could have a $>8,000\times$ energy-efficiency advantage over state-of-the-art digital-electronic processors that achieve 300 fJ/MAC. We analyzed how these results motivate and inform the construction of future optical accelerators along with optics-amenable deep-learning approaches. With assumptions about future improvements to electronics and Transformer quantization techniques (5$\times$ cheaper memory access, double the digital--analog conversion efficiency, and 4-bit precision), we estimated that optical computers' advantage against current 300-fJ/MAC digital processors could grow to $>100,000\times$.

We propose an ML-based model that automates and expedites the solution of MIPs by predicting the values of variables. Our approach is motivated by the observation that many problem instances share salient features and solution structures since they differ only in few (time-varying) parameters. Examples include transportation and routing problems where decisions need to be re-optimized whenever commodity volumes or link costs change. Our method is the first to exploit the sequential nature of the instances being solved periodically, and can be trained with ``unlabeled'' instances, when exact solutions are unavailable, in a semi-supervised setting. Also, we provide a principled way of transforming the probabilistic predictions into integral solutions. Using a battery of experiments with representative binary MIPs, we show the gains of our model over other ML-based optimization approaches.

IoT time series analysis has found numerous applications in a wide variety of areas, ranging from health informatics to network security. Nevertheless, the complex spatial temporal dynamics and high dimensionality of IoT time series make the analysis increasingly challenging. In recent years, the powerful feature extraction and representation learning capabilities of deep learning (DL) have provided an effective means for IoT time series analysis. However, few existing surveys on time series have systematically discussed unsupervised DL-based methods. To fill this void, we investigate unsupervised deep learning for IoT time series, i.e., unsupervised anomaly detection and clustering, under a unified framework. We also discuss the application scenarios, public datasets, existing challenges, and future research directions in this area.

Accurate control of autonomous marine robots still poses challenges due to the complex dynamics of the environment. In this paper, we propose a Deep Reinforcement Learning (DRL) approach to train a controller for autonomous surface vessel (ASV) trajectory tracking and compare its performance with an advanced nonlinear model predictive controller (NMPC) in real environments. Taking into account environmental disturbances (e.g., wind, waves, and currents), noisy measurements, and non-ideal actuators presented in the physical ASV, several effective reward functions for DRL tracking control policies are carefully designed. The control policies were trained in a simulation environment with diverse tracking trajectories and disturbances. The performance of the DRL controller has been verified and compared with the NMPC in both simulations with model-based environmental disturbances and in natural waters. Simulations show that the DRL controller has 53.33% lower tracking error than that of NMPC. Experimental results further show that, compared to NMPC, the DRL controller has 35.51% lower tracking error, indicating that DRL controllers offer better disturbance rejection in river environments than NMPC.

Hyperspectral images taken from aircraft or satellites contain information from hundreds of spectral bands, within which lie latent lower-dimensional structures that can be exploited for classifying vegetation and other materials. A disadvantage of working with hyperspectral images is that, due to an inherent trade-off between spectral and spatial resolution, they have a relatively coarse spatial scale, meaning that single pixels may correspond to spatial regions containing multiple materials. This article introduces the Diffusion and Volume maximization-based Image Clustering (D-VIC) algorithm for unsupervised material clustering to address this problem. By directly incorporating pixel purity into its labeling procedure, D-VIC gives greater weight to pixels that correspond to a spatial region containing just a single material. D-VIC is shown to outperform comparable state-of-the-art methods in extensive experiments on a range of hyperspectral images, including land-use maps and highly mixed forest health surveys (in the context of ash dieback disease), implying that it is well-equipped for unsupervised material clustering of spectrally-mixed hyperspectral datasets.

The paper presents an efficient and robust data-driven deep learning (DL) computational framework developed for linear continuum elasticity problems. The methodology is based on the fundamentals of the Physics Informed Neural Networks (PINNs). For an accurate representation of the field variables, a multi-objective loss function is proposed. It consists of terms corresponding to the residual of the governing partial differential equations (PDE), constitutive relations derived from the governing physics, various boundary conditions, and data-driven physical knowledge fitting terms across randomly selected collocation points in the problem domain. To this end, multiple densely connected independent artificial neural networks (ANNs), each approximating a field variable, are trained to obtain accurate solutions. Several benchmark problems including the Airy solution to elasticity and the Kirchhoff-Love plate problem are solved. Performance in terms of accuracy and robustness illustrates the superiority of the current framework showing excellent agreement with analytical solutions. The present work combines the benefits of the classical methods depending on the physical information available in analytical relations with the superior capabilities of the DL techniques in the data-driven construction of lightweight, yet accurate and robust neural networks. The models developed herein can significantly boost computational speed using minimal network parameters with easy adaptability in different computational platforms.

Classical problems in computational physics such as data-driven forecasting and signal reconstruction from sparse sensors have recently seen an explosion in deep neural network (DNN) based algorithmic approaches. However, most DNN models do not provide uncertainty estimates, which are crucial for establishing the trustworthiness of these techniques in downstream decision making tasks and scenarios. In recent years, ensemble-based methods have achieved significant success for the uncertainty quantification in DNNs on a number of benchmark problems. However, their performance on real-world applications remains under-explored. In this work, we present an automated approach to DNN discovery and demonstrate how this may also be utilized for ensemble-based uncertainty quantification. Specifically, we propose the use of a scalable neural and hyperparameter architecture search for discovering an ensemble of DNN models for complex dynamical systems. We highlight how the proposed method not only discovers high-performing neural network ensembles for our tasks, but also quantifies uncertainty seamlessly. This is achieved by using genetic algorithms and Bayesian optimization for sampling the search space of neural network architectures and hyperparameters. Subsequently, a model selection approach is used to identify candidate models for an ensemble set construction. Afterwards, a variance decomposition approach is used to estimate the uncertainty of the predictions from the ensemble. We demonstrate the feasibility of this framework for two tasks - forecasting from historical data and flow reconstruction from sparse sensors for the sea-surface temperature. We demonstrate superior performance from the ensemble in contrast with individual high-performing models and other benchmarks.

In the study of subsurface seismic imaging, solving the acoustic wave equation is a pivotal component in existing models. The advancement of deep learning enables solving partial differential equations, including wave equations, by applying neural networks to identify the mapping between the inputs and the solution. This approach can be faster than traditional numerical methods when numerous instances are to be solved. Previous works that concentrate on solving the wave equation by neural networks consider either a single velocity model or multiple simple velocity models, which is restricted in practice. Instead, inspired by the idea of operator learning, this work leverages the Fourier neural operator (FNO) to effectively learn the frequency domain seismic wavefields under the context of variable velocity models. We also propose a new framework paralleled Fourier neural operator (PFNO) for efficiently training the FNO-based solver given multiple source locations and frequencies. Numerical experiments demonstrate the high accuracy of both FNO and PFNO with complicated velocity models in the OpenFWI datasets. Furthermore, the cross-dataset generalization test verifies that PFNO adapts to out-of-distribution velocity models. Moreover, PFNO has robust performance in the presence of random noise in the labels. Finally, PFNO admits higher computational efficiency on large-scale testing datasets than the traditional finite-difference method. The aforementioned advantages endow the FNO-based solver with the potential to build powerful models for research on seismic waves.