Full waveform inversion (FWI) is widely used in geophysics to reconstruct high-resolution velocity maps from seismic data. The recent success of data-driven FWI methods results in a rapidly increasing demand for open datasets to serve the geophysics community. We present OpenFWI, a collection of large-scale multi-structural benchmark datasets, to facilitate diversified, rigorous, and reproducible research on FWI. In particular, OpenFWI consists of 12 datasets (2.1TB in total) synthesized from multiple sources. It encompasses diverse domains in geophysics (interface, fault, CO2 reservoir, etc.), covers different geological subsurface structures (flat, curve, etc.), and contains various amounts of data samples (2K - 67K). It also includes a dataset for 3D FWI. Moreover, we use OpenFWI to perform benchmarking over four deep learning methods, covering both supervised and unsupervised learning regimes. Along with the benchmarks, we implement additional experiments, including physics-driven methods, complexity analysis, generalization study, uncertainty quantification, and so on, to sharpen our understanding of datasets and methods. The studies either provide valuable insights into the datasets and the performance, or uncover their current limitations. We hope OpenFWI supports prospective research on FWI and inspires future open-source efforts on AI for science. All datasets and related information can be accessed through our website at https://openfwi-lanl.github.io/

This study aims to compare multiple deep learning-based forecasters for the task of predicting volatility using multivariate data. The paper evaluates a range of models, starting from simpler and shallower ones and progressing to deeper and more complex architectures. Additionally, the performance of these models is compared against naive predictions and variations of classical GARCH models. The prediction of volatility for five assets, namely S&P500, NASDAQ100, gold, silver, and oil, is specifically addressed using GARCH models, Multi-Layer Perceptrons, Recurrent Neural Networks, Temporal Convolutional Networks, and the Temporal Fusion Transformer. In the majority of cases, the Temporal Fusion Transformer, followed by variants of the Temporal Convolutional Network, outperformed classical approaches and shallow networks. These experiments were repeated, and the differences observed between the competing models were found to be statistically significant, thus providing strong encouragement for their practical application.

This paper presents a deep-learning model for deformable registration of ultrasound images at online rates, which we call U-RAFT. As its name suggests, U-RAFT is based on RAFT, a convolutional neural network for estimating optical flow. U-RAFT, however, can be trained in an unsupervised manner and can generate synthetic images for training vessel segmentation models. We propose and compare the registration quality of different loss functions for training U-RAFT. We also show how our approach, together with a robot performing force-controlled scans, can be used to generate synthetic deformed images to significantly expand the size of a femoral vessel segmentation training dataset without the need for additional manual labeling. We validate our approach on both a silicone human tissue phantom as well as on in-vivo porcine images. We show that U-RAFT generates synthetic ultrasound images with 98% and 81% structural similarity index measure (SSIM) to the real ultrasound images for the phantom and porcine datasets, respectively. We also demonstrate that synthetic deformed images from U-RAFT can be used as a data augmentation technique for vessel segmentation models to improve intersection-over-union (IoU) segmentation performance

Recently, physics informed neural networks (PINNs) have been explored extensively for solving various forward and inverse problems and facilitating querying applications in fluid mechanics applications. However, work on PINNs for unsteady flows past moving bodies, such as flapping wings is scarce. Earlier studies mostly relied on transferring to a body attached frame of reference which is restrictive towards handling multiple moving bodies or deforming structures. Hence, in the present work, an immersed boundary aware framework has been explored for developing surrogate models for unsteady flows past moving bodies. Specifically, simultaneous pressure recovery and velocity reconstruction from Immersed boundary method (IBM) simulation data has been investigated. While, efficacy of velocity reconstruction has been tested against the fine resolution IBM data, as a step further, the pressure recovered was compared with that of an arbitrary Lagrange Eulerian (ALE) based solver. Under this framework, two PINN variants, (i) a moving-boundary-enabled standard Navier-Stokes based PINN (MB-PINN), and, (ii) a moving-boundary-enabled IBM based PINN (MB-IBM-PINN) have been formulated. A fluid-solid partitioning of the physics losses in MB-IBM-PINN has been allowed, in order to investigate the effects of solid body points while training. This enables MB-IBM-PINN to match with the performance of MB-PINN under certain loss weighting conditions. MB-PINN is found to be superior to MB-IBM-PINN when {\it a priori} knowledge of the solid body position and velocity are available. To improve the data efficiency of MB-PINN, a physics based data sampling technique has also been investigated. It is observed that a suitable combination of physics constraint relaxation and physics based sampling can achieve a model performance comparable to the case of using all the data points, under a fixed training budget.

Controller tuning and parameter optimization are crucial in system design to improve both the controller and underlying system performance. Bayesian optimization has been established as an efficient model-free method for controller tuning and adaptation. Standard methods, however, are not enough for high-precision systems to be robust with respect to unknown input-dependent noise and stable under safety constraints. In this work, we present a novel data-driven approach, RaGoOSE, for safe controller tuning in the presence of heteroscedastic noise, combining safe learning with risk-averse Bayesian optimization. We demonstrate the method for synthetic benchmark and compare its performance to established BO-based tuning methods. We further evaluate RaGoOSE performance on a real precision-motion system utilized in semiconductor industry applications and compare it to the built-in auto-tuning routine.

The Internet of Energy (IoE) is a distributed paradigm that leverages smart networks and distributed system technologies to enable decentralized energy systems. In contrast to the traditional centralized energy systems, distributed Energy Internet systems comprise multiple components and communication requirements that demand innovative technologies for decentralization, reliability, efficiency, and security. Recent advances in blockchain architectures, smart contracts, and distributed federated learning technologies have opened up new opportunities for realizing decentralized Energy Internet services. In this paper, we present a comprehensive analysis and classification of state-of-the-art solutions that employ blockchain, smart contracts, and federated learning for the IoE domains. Specifically, we identify four representative system models and discuss their key aspects. These models demonstrate the diverse ways in which blockchain, smart contracts, and federated learning can be integrated to support the main domains of IoE, namely distributed energy trading and sharing, smart microgrid energy networks, and electric and connected vehicle management. Furthermore, we provide a detailed comparison of the different levels of decentralization, the advantages of federated learning, and the benefits of using blockchain for the IoE systems. Additionally, we identify open issues and areas for future research for integrating federated learning and blockchain in the Internet of Energy domains.

Deductive coding is a widely used qualitative research method for determining the prevalence of themes across documents. While useful, deductive coding is often burdensome and time consuming since it requires researchers to read, interpret, and reliably categorize a large body of unstructured text documents. Large language models (LLMs), like ChatGPT, are a class of quickly evolving AI tools that can perform a range of natural language processing and reasoning tasks. In this study, we explore the use of LLMs to reduce the time it takes for deductive coding while retaining the flexibility of a traditional content analysis. We outline the proposed approach, called LLM-assisted content analysis (LACA), along with an in-depth case study using GPT-3.5 for LACA on a publicly available deductive coding data set. Additionally, we conduct an empirical benchmark using LACA on 4 publicly available data sets to assess the broader question of how well GPT-3.5 performs across a range of deductive coding tasks. Overall, we find that GPT-3.5 can often perform deductive coding at levels of agreement comparable to human coders. Additionally, we demonstrate that LACA can help refine prompts for deductive coding, identify codes for which an LLM is randomly guessing, and help assess when to use LLMs vs. human coders for deductive coding. We conclude with several implications for future practice of deductive coding and related research methods.

Reliable estimates of Gross Primary Productivity (GPP), crucial for evaluating climate change initiatives, are currently only available from sparsely distributed eddy covariance tower sites. This limitation hampers access to reliable GPP quantification at regional to global scales. Prior machine learning studies on upscaling \textit{in situ} GPP to global wall-to-wall maps at sub-daily time steps faced limitations such as lack of input features at higher temporal resolutions and significant missing values. This research explored a novel upscaling solution using Temporal Fusion Transformer (TFT) without relying on past GPP time series. Model development was supplemented by Random Forest Regressor (RFR) and XGBoost, followed by the hybrid model of TFT and tree algorithms. The best preforming model yielded to model performance of 0.704 NSE and 3.54 RMSE. Another contribution of the study was the breakdown analysis of encoder feature importance based on time and flux tower sites. Such analysis enhanced the interpretability of the multi-head attention layer as well as the visual understanding of temporal dynamics of influential features.

Given harsh operating conditions and physical constraints in reactors, nuclear applications cannot afford to equip the physical asset with a large array of sensors. Therefore, it is crucial to carefully determine the placement of sensors within the given spatial limitations, enabling the reconstruction of reactor flow fields and the creation of nuclear digital twins. Various design considerations are imposed, such as predetermined sensor locations, restricted areas within the reactor, a fixed number of sensors allocated to a specific region, or sensors positioned at a designated distance from one another. We develop a data-driven technique that integrates constraints into an optimization procedure for sensor placement, aiming to minimize reconstruction errors. Our approach employs a greedy algorithm that can optimize sensor locations on a grid, adhering to user-defined constraints. We demonstrate the near optimality of our algorithm by computing all possible configurations for selecting a certain number of sensors for a randomly generated state space system. In this work, the algorithm is demonstrated on the Out-of-Pile Testing and Instrumentation Transient Water Irradiation System (OPTI-TWIST) prototype vessel, which is electrically heated to mimic the neutronics effect of the Transient Reactor Test facility (TREAT) at Idaho National Laboratory (INL). The resulting sensor-based reconstruction of temperature within the OPTI-TWIST minimizes error, provides probabilistic bounds for noise-induced uncertainty and will finally be used for communication between the digital twin and experimental facility.

The capabilities and adoption of deep neural networks (DNNs) grow at an exhilarating pace: Vision models accurately classify human actions in videos and identify cancerous tissue in medical scans as precisely than human experts; large language models answer wide-ranging questions, generate code, and write prose, becoming the topic of everyday dinner-table conversations. Even though their uses are exhilarating, the continually increasing model sizes and computational complexities have a dark side. The economic cost and negative environmental externalities of training and serving models is in evident disharmony with financial viability and climate action goals. Instead of pursuing yet another increase in predictive performance, this dissertation is dedicated to the improvement of neural network efficiency. Specifically, a core contribution addresses the efficiency aspects during online inference. Here, the concept of Continual Inference Networks (CINs) is proposed and explored across four publications. CINs extend prior state-of-the-art methods developed for offline processing of spatio-temporal data and reuse their pre-trained weights, improving their online processing efficiency by an order of magnitude. These advances are attained through a bottom-up computational reorganization and judicious architectural modifications. The benefit to online inference is demonstrated by reformulating several widely used network architectures into CINs, including 3D CNNs, ST-GCNs, and Transformer Encoders. An orthogonal contribution tackles the concurrent adaptation and computational acceleration of a large source model into multiple lightweight derived models. Drawing on fusible adapter networks and structured pruning, Structured Pruning Adapters achieve superior predictive accuracy under aggressive pruning using significantly fewer learned weights compared to fine-tuning with pruning.