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Apr 17

An error indicator-based adaptive reduced order model for nonlinear structural mechanics -- application to high-pressure turbine blades

The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the temperature. For this application, the temperature loading is not accurately known and can reach values relatively close to the creep temperature: important nonlinear effects occur and the solution strongly depends on the used thermal loading. We consider a nonlinear reduced order model able to compute, in the exploitation phase, the behavior of the blade for a new temperature field loading. The sensitivity of the solution to the temperature makes {the classical unenriched proper orthogonal decomposition method} fail. In this work, we propose a new error indicator, quantifying the error made by the reduced order model in computational complexity independent of the size of the high-fidelity reference model. In our framework, when the {error indicator} becomes larger than a given tolerance, the reduced order model is updated using one time step solution of the high-fidelity reference model. The approach is illustrated on a series of academic test cases and applied on a setting of industrial complexity involving 5 million degrees of freedom, where the whole procedure is computed in parallel with distributed memory.

  • 2 authors
·
Apr 19, 2019

Location based Probabilistic Load Forecasting of EV Charging Sites: Deep Transfer Learning with Multi-Quantile Temporal Convolutional Network

Electrification of vehicles is a potential way of reducing fossil fuel usage and thus lessening environmental pollution. Electric Vehicles (EVs) of various types for different transport modes (including air, water, and land) are evolving. Moreover, different EV user groups (commuters, commercial or domestic users, drivers) may use different charging infrastructures (public, private, home, and workplace) at various times. Therefore, usage patterns and energy demand are very stochastic. Characterizing and forecasting the charging demand of these diverse EV usage profiles is essential in preventing power outages. Previously developed data-driven load models are limited to specific use cases and locations. None of these models are simultaneously adaptive enough to transfer knowledge of day-ahead forecasting among EV charging sites of diverse locations, trained with limited data, and cost-effective. This article presents a location-based load forecasting of EV charging sites using a deep Multi-Quantile Temporal Convolutional Network (MQ-TCN) to overcome the limitations of earlier models. We conducted our experiments on data from four charging sites, namely Caltech, JPL, Office-1, and NREL, which have diverse EV user types like students, full-time and part-time employees, random visitors, etc. With a Prediction Interval Coverage Probability (PICP) score of 93.62\%, our proposed deep MQ-TCN model exhibited a remarkable 28.93\% improvement over the XGBoost model for a day-ahead load forecasting at the JPL charging site. By transferring knowledge with the inductive Transfer Learning (TL) approach, the MQ-TCN model achieved a 96.88\% PICP score for the load forecasting task at the NREL site using only two weeks of data.

  • 4 authors
·
Sep 18, 2024

Learning Distribution Grid Topologies: A Tutorial

Unveiling feeder topologies from data is of paramount importance to advance situational awareness and proper utilization of smart resources in power distribution grids. This tutorial summarizes, contrasts, and establishes useful links between recent works on topology identification and detection schemes that have been proposed for power distribution grids. The primary focus is to highlight methods that overcome the limited availability of measurement devices in distribution grids, while enhancing topology estimates using conservation laws of power-flow physics and structural properties of feeders. Grid data from phasor measurement units or smart meters can be collected either passively in the traditional way, or actively, upon actuating grid resources and measuring the feeder's voltage response. Analytical claims on feeder identifiability and detectability are reviewed under disparate meter placement scenarios. Such topology learning claims can be attained exactly or approximately so via algorithmic solutions with various levels of computational complexity, ranging from least-squares fits to convex optimization problems, and from polynomial-time searches over graphs to mixed-integer programs. Although the emphasis is on radial single-phase feeders, extensions to meshed and/or multiphase circuits are sometimes possible and discussed. This tutorial aspires to provide researchers and engineers with knowledge of the current state-of-the-art in tractable distribution grid learning and insights into future directions of work.

  • 3 authors
·
Apr 26, 2023

Bayesian Physics-informed Neural Networks for System Identification of Inverter-dominated Power Systems

While the uncertainty in generation and demand increases, accurately estimating the dynamic characteristics of power systems becomes crucial for employing the appropriate control actions to maintain their stability. In our previous work, we have shown that Bayesian Physics-informed Neural Networks (BPINNs) outperform conventional system identification methods in identifying the power system dynamic behavior under measurement noise. This paper takes the next natural step and addresses the more significant challenge, exploring how BPINN perform in estimating power system dynamics under increasing uncertainty from many Inverter-based Resources (IBRs) connected to the grid. These introduce a different type of uncertainty, compared to noisy measurements. The BPINN combines the advantages of Physics-informed Neural Networks (PINNs), such as inverse problem applicability, with Bayesian approaches for uncertainty quantification. We explore the BPINN performance on a wide range of systems, starting from a single machine infinite bus (SMIB) system and 3-bus system to extract important insights, to the 14-bus CIGRE distribution grid, and the large IEEE 118-bus system. We also investigate approaches that can accelerate the BPINN training, such as pretraining and transfer learning. Throughout this paper, we show that in presence of uncertainty, the BPINN achieves orders of magnitude lower errors than the widely popular method for system identification SINDy and significantly lower errors than PINN, while transfer learning helps reduce training time by up to 80 %.

  • 4 authors
·
Mar 20, 2024

IISE PG&E Energy Analytics Challenge 2025: Hourly-Binned Regression Models Beat Transformers in Load Forecasting

Accurate electricity load forecasting is essential for grid stability, resource optimization, and renewable energy integration. While transformer-based deep learning models like TimeGPT have gained traction in time-series forecasting, their effectiveness in long-term electricity load prediction remains uncertain. This study evaluates forecasting models ranging from classical regression techniques to advanced deep learning architectures using data from the ESD 2025 competition. The dataset includes two years of historical electricity load data, alongside temperature and global horizontal irradiance (GHI) across five sites, with a one-day-ahead forecasting horizon. Since actual test set load values remain undisclosed, leveraging predicted values would accumulate errors, making this a long-term forecasting challenge. We employ (i) Principal Component Analysis (PCA) for dimensionality reduction and (ii) frame the task as a regression problem, using temperature and GHI as covariates to predict load for each hour, (iii) ultimately stacking 24 models to generate yearly forecasts. Our results reveal that deep learning models, including TimeGPT, fail to consistently outperform simpler statistical and machine learning approaches due to the limited availability of training data and exogenous variables. In contrast, XGBoost, with minimal feature engineering, delivers the lowest error rates across all test cases while maintaining computational efficiency. This highlights the limitations of deep learning in long-term electricity forecasting and reinforces the importance of model selection based on dataset characteristics rather than complexity. Our study provides insights into practical forecasting applications and contributes to the ongoing discussion on the trade-offs between traditional and modern forecasting methods.

  • 3 authors
·
May 16, 2025

Real-Time Prediction of Gas Flow Dynamics in Diesel Engines using a Deep Neural Operator Framework

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

  • 4 authors
·
Apr 2, 2023

SmartMeterFM: Unifying Smart Meter Data Generative Tasks Using Flow Matching Models

Smart meter data is the foundation for planning and operating the distribution network. Unfortunately, such data are not always available due to privacy regulations. Meanwhile, the collected data may be corrupted due to sensor or transmission failure, or it may not have sufficient resolution for downstream tasks. A wide range of generative tasks is formulated to address these issues, including synthetic data generation, missing data imputation, and super-resolution. Despite the success of machine learning models on these tasks, dedicated models need to be designed and trained for each task, leading to redundancy and inefficiency. In this paper, by recognizing the powerful modeling capability of flow matching models, we propose a new approach to unify diverse smart meter data generative tasks with a single model trained for conditional generation. The proposed flow matching models are trained to generate challenging, high-dimensional time series data, specifically monthly smart meter data at a 15 min resolution. By viewing different generative tasks as distinct forms of partial data observations and injecting them into the generation process, we unify tasks such as imputation and super-resolution with a single model, eliminating the need for re-training. The data generated by our model not only are consistent with the given observations but also remain realistic, showing better performance against interpolation and other machine learning based baselines dedicated to the tasks.

  • 5 authors
·
Jan 29

Efficient MPC-Based Energy Management System for Secure and Cost-Effective Microgrid Operations

Model predictive control (MPC)-based energy management systems (EMS) are essential for ensuring optimal, secure, and stable operation in microgrids with high penetrations of distributed energy resources. However, due to the high computational cost for the decision-making, the conventional MPC-based EMS typically adopts a simplified integrated-bus power balance model. While this simplification is effective for small networks, large-scale systems require a more detailed branch flow model to account for the increased impact of grid power losses and security constraints. This work proposes an efficient and reliable MPC-based EMS that incorporates power-loss effects and grid-security constraints. %, while adaptively shaping the battery power profile in response to online renewable inputs, achieving reduced operational costs. It enhances system reliability, reduces operational costs, and shows strong potential for online implementation due to its reduced computational effort. Specifically, a second-order cone program (SOCP) branch flow relaxation is integrated into the constraint set, yielding a convex formulation that guarantees globally optimal solutions with high computational efficiency. Owing to the radial topology of the microgrid, this relaxation is practically tight, ensuring equivalence to the original problem. Building on this foundation, an online demand response (DR) module is designed to further reduce the operation cost through peak shaving. To the best of our knowledge, no prior MPC-EMS framework has simultaneously modeled losses and security constraints while coordinating flexible loads within a unified architecture. The developed framework enables secure operation with effective peak shaving and reduced total cost. The effectiveness of the proposed method is validated on 10-bus, 18-bus, and 33-bus systems.

  • 4 authors
·
Sep 23, 2025

PFΔ: A Benchmark Dataset for Power Flow under Load, Generation, and Topology Variations

Power flow (PF) calculations are the backbone of real-time grid operations, across workflows such as contingency analysis (where repeated PF evaluations assess grid security under outages) and topology optimization (which involves PF-based searches over combinatorially large action spaces). Running these calculations at operational timescales or across large evaluation spaces remains a major computational bottleneck. Additionally, growing uncertainty in power system operations from the integration of renewables and climate-induced extreme weather also calls for tools that can accurately and efficiently simulate a wide range of scenarios and operating conditions. Machine learning methods offer a potential speedup over traditional solvers, but their performance has not been systematically assessed on benchmarks that capture real-world variability. This paper introduces PFΔ, a benchmark dataset for power flow that captures diverse variations in load, generation, and topology. PFΔ contains 859,800 solved power flow instances spanning six different bus system sizes, capturing three types of contingency scenarios (N , N -1, and N -2), and including close-to-infeasible cases near steady-state voltage stability limits. We evaluate traditional solvers and GNN-based methods, highlighting key areas where existing approaches struggle, and identifying open problems for future research. Our dataset is available at https://huggingface.co/datasets/pfdelta/pfdelta/tree/main and our code with data generation scripts and model implementations is at https://github.com/MOSSLab-MIT/pfdelta.

  • 4 authors
·
Jan 25

A Nonintrusive Distributed Reduced Order Modeling Framework for nonlinear structural mechanics -- application to elastoviscoplastic computations

In this work, we propose a framework that constructs reduced order models for nonlinear structural mechanics in a nonintrusive fashion, and can handle large scale simulations. We identify three steps that are carried out separately in time, and possibly on different devices: (i) the production of high-fidelity solutions by a commercial software, (ii) the offline stage of the model reduction and (iii) the online stage where the reduced order model is exploited. The nonintrusivity assumes that only the displacement field solution is known, and relies on operations on simulation data during the offline phase by using an in-house code. The compatibility with a new commercial code only needs the implementation of a routine converting the mesh and result format into our in-house data format. The nonintrusive capabilities of the framework are demonstrated on numerical experiments using commercial versions of the finite element softwares Zset and Ansys Mechanical. The nonlinear constitutive equations are evaluated by using the same external plugins as for Zset or Ansys Mechanical. The large scale simulations are handled using domain decomposition and parallel computing with distributed memory. The features and performances of the framework are evaluated on two numerical applications involving elastoviscoplastic materials: the second one involves a model of high-pressure blade, where the framework is used to extrapolate cyclic loadings in 6.5 hours, whereas the reference high-fidelity computation would take 9.5 days.

  • 5 authors
·
Dec 18, 2018

PINN surrogate of Li-ion battery models for parameter inference. Part I: Implementation and multi-fidelity hierarchies for the single-particle model

To plan and optimize energy storage demands that account for Li-ion battery aging dynamics, techniques need to be developed to diagnose battery internal states accurately and rapidly. This study seeks to reduce the computational resources needed to determine a battery's internal states by replacing physics-based Li-ion battery models -- such as the single-particle model (SPM) and the pseudo-2D (P2D) model -- with a physics-informed neural network (PINN) surrogate. The surrogate model makes high-throughput techniques, such as Bayesian calibration, tractable to determine battery internal parameters from voltage responses. This manuscript is the first of a two-part series that introduces PINN surrogates of Li-ion battery models for parameter inference (i.e., state-of-health diagnostics). In this first part, a method is presented for constructing a PINN surrogate of the SPM. A multi-fidelity hierarchical training, where several neural nets are trained with multiple physics-loss fidelities is shown to significantly improve the surrogate accuracy when only training on the governing equation residuals. The implementation is made available in a companion repository (https://github.com/NREL/pinnstripes). The techniques used to develop a PINN surrogate of the SPM are extended in Part II for the PINN surrogate for the P2D battery model, and explore the Bayesian calibration capabilities of both surrogates.

  • 9 authors
·
Dec 28, 2023

Stochastic-Robust Planning of Networked Hydrogen-Electrical Microgrids: A Study on Induced Refueling Demand

Hydrogen-electrical microgrids are increasingly assuming an important role on the pathway toward decarbonization of energy and transportation systems. This paper studies networked hydrogen-electrical microgrids planning (NHEMP), considering a critical but often-overlooked issue, i.e., the demand-inducing effect (DIE) associated with infrastructure development decisions. Specifically, higher refueling capacities will attract more refueling demand of hydrogen-powered vehicles (HVs). To capture such interactions between investment decisions and induced refueling demand, we introduce a decision-dependent uncertainty (DDU) set and build a trilevel stochastic-robust formulation. The upper-level determines optimal investment strategies for hydrogen-electrical microgrids, the lower-level optimizes the risk-aware operation schedules across a series of stochastic scenarios, and, for each scenario, the middle-level identifies the "worst" situation of refueling demand within an individual DDU set to ensure economic feasibility. Then, an adaptive and exact decomposition algorithm, based on Parametric Column-and-Constraint Generation (PC&CG), is customized and developed to address the computational challenge and to quantitatively analyze the impact of DIE. Case studies on an IEEE exemplary system validate the effectiveness of the proposed NHEMP model and the PC&CG algorithm. It is worth highlighting that DIE can make an important contribution to the economic benefits of NHEMP, yet its significance will gradually decrease when the main bottleneck transits to other system restrictions.

  • 6 authors
·
Mar 31, 2024

LLM4DistReconfig: A Fine-tuned Large Language Model for Power Distribution Network Reconfiguration

Power distribution networks are evolving due to the integration of DERs and increased customer participation. To maintain optimal operation, minimize losses, and meet varying load demands, frequent network reconfiguration is necessary. Traditionally, the reconfiguration task relies on optimization software and expert operators, but as systems grow more complex, faster and more adaptive solutions are required without expert intervention. Data-driven reconfiguration is gaining traction for its accuracy, speed, and robustness against incomplete network data. LLMs, with their ability to capture complex patterns, offer a promising approach for efficient and responsive network reconfiguration in evolving complex power networks. In this work, we introduce LLM4DistReconfig, a deep learning-based approach utilizing a fine-tuned LLM to solve the distribution network reconfiguration problem. By carefully crafting prompts and designing a custom loss function, we train the LLM with inputs representing network parameters such as buses, available lines, open lines, node voltages, and system loss. The model then predicts optimal reconfigurations by outputting updated network configurations that minimize system loss while meeting operational constraints. Our approach significantly reduces inference time compared to classical algorithms, allowing for near real-time optimal reconfiguration after training. Experimental results show that our method generates optimal configurations minimizing system loss for five individual and a combined test dataset. It also produces minimal invalid edges, no cycles, or subgraphs across all datasets, fulfilling domain-specific needs. Additionally, the generated responses contain less than 5% improper outputs on seen networks and satisfactory results on unseen networks, demonstrating its effectiveness and reliability for the reconfiguration task.

  • 4 authors
·
Jan 24, 2025

NILMFormer: Non-Intrusive Load Monitoring that Accounts for Non-Stationarity

Millions of smart meters have been deployed worldwide, collecting the total power consumed by individual households. Based on these data, electricity suppliers offer their clients energy monitoring solutions to provide feedback on the consumption of their individual appliances. Historically, such estimates have relied on statistical methods that use coarse-grained total monthly consumption and static customer data, such as appliance ownership. Non-Intrusive Load Monitoring (NILM) is the problem of disaggregating a household's collected total power consumption to retrieve the consumed power for individual appliances. Current state-of-the-art (SotA) solutions for NILM are based on deep-learning (DL) and operate on subsequences of an entire household consumption reading. However, the non-stationary nature of real-world smart meter data leads to a drift in the data distribution within each segmented window, which significantly affects model performance. This paper introduces NILMFormer, a Transformer-based architecture that incorporates a new subsequence stationarization/de-stationarization scheme to mitigate the distribution drift and that uses a novel positional encoding that relies only on the subsequence's timestamp information. Experiments with 4 real-world datasets show that NILMFormer significantly outperforms the SotA approaches. Our solution has been deployed as the backbone algorithm for EDF's (Electricit\'e De France) consumption monitoring service, delivering detailed insights to millions of customers about their individual appliances' power consumption. This paper appeared in KDD 2025.

  • 4 authors
·
Jun 6, 2025

Exploring a Physics-Informed Decision Transformer for Distribution System Restoration: Methodology and Performance Analysis

Driven by advancements in sensing and computing, deep reinforcement learning (DRL)-based methods have demonstrated significant potential in effectively tackling distribution system restoration (DSR) challenges under uncertain operational scenarios. However, the data-intensive nature of DRL poses obstacles in achieving satisfactory DSR solutions for large-scale, complex distribution systems. Inspired by the transformative impact of emerging foundation models, including large language models (LLMs), across various domains, this paper explores an innovative approach harnessing LLMs' powerful computing capabilities to address scalability challenges inherent in conventional DRL methods for solving DSR. To our knowledge, this study represents the first exploration of foundation models, including LLMs, in revolutionizing conventional DRL applications in power system operations. Our contributions are twofold: 1) introducing a novel LLM-powered Physics-Informed Decision Transformer (PIDT) framework that leverages LLMs to transform conventional DRL methods for DSR operations, and 2) conducting comparative studies to assess the performance of the proposed LLM-powered PIDT framework at its initial development stage for solving DSR problems. While our primary focus in this paper is on DSR operations, the proposed PIDT framework can be generalized to optimize sequential decision-making across various power system operations.

  • 4 authors
·
Jun 30, 2024

Refining Graphical Neural Network Predictions Using Flow Matching for Optimal Power Flow with Constraint-Satisfaction Guarantee

The DC Optimal Power Flow (DC-OPF) problem is fundamental to power system operations, requiring rapid solutions for real-time grid management. While traditional optimization solvers provide optimal solutions, their computational cost becomes prohibitive for large-scale systems requiring frequent recalculations. Machine learning approaches offer promise for acceleration but often struggle with constraint satisfaction and cost optimality. We present a novel two-stage learning framework that combines physics-informed Graph Neural Networks (GNNs) with Continuous Flow Matching (CFM) for solving DC-OPF problems. Our approach embeds fundamental physical principles--including economic dispatch optimality conditions, Kirchhoff's laws, and Karush-Kuhn-Tucker (KKT) complementarity conditions--directly into the training objectives. The first stage trains a GNN to produce feasible initial solutions by learning from physics-informed losses that encode power system constraints. The second stage employs CFM, a simulation-free continuous normalizing flow technique, to refine these solutions toward optimality through learned vector field regression. Evaluated on the IEEE 30-bus system across five load scenarios ranging from 70\% to 130\% nominal load, our method achieves near-optimal solutions with cost gaps below 0.1\% for nominal loads and below 3\% for extreme conditions, while maintaining 100\% feasibility. Our framework bridges the gap between fast but approximate neural network predictions and optimal but slow numerical solvers, offering a practical solution for modern power systems with high renewable penetration requiring frequent dispatch updates.

  • 1 authors
·
Dec 11, 2025

Probabilistic Assessment of Engineered Timber Reusability after Moisture Exposure

Engineered timber is pivotal to low-carbon construction, but moisture uptake during its service life can compromise structural reliability and impede reuse within a circular economy model. Despite growing interest, quantitative standards for classifying the reusability of moisture-exposed timber are still lacking. This study develops a probabilistic framework to determine the post-exposure reusability of engineered timber. Laminated specimens were soaked to full saturation, dried to 25% moisture content, and subjected to destructive three-point flexural testing. Structural integrity was quantified by a residual-performance metric that assigns 80% weight to the retained flexural modulus and 20% to the retained maximum load, benchmarked against unexposed controls. A hierarchical Bayesian multinomial logistic model with horseshoe priors, calibrated through Markov-Chain Monte-Carlo sampling, jointly infers the decision threshold separating three Modern Methods of Construction (MMC) reuse levels and predicts those levels from five field-measurable features: density, moisture content, specimen size, grain orientation, and surface hardness. Results indicate that a single wet-dry cycle preserves 70% of specimens above the 0.90 residual-performance threshold (Level 1), whereas repeated cycling lowers the mean residual to 0.78 and reallocates many specimens to Levels 2-3. The proposed framework yields quantified decision boundaries and a streamlined on-site testing protocol, providing a foundation for robust quality assurance standards.

  • 5 authors
·
May 29, 2025

Real-Time Structural Deflection Estimation in Hydraulically Actuated Systems Using 3D Flexible Multibody Simulation and DNNs

The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally intensive, and achieving real-time autonomy, using standard approaches, impossible. Machine learning through data-driven, physics-informed and physics-inspired networks, however, promises more computationally efficient and accurate solutions to nonlinear dynamic problems. This study proposes a novel framework that has been developed to estimate real-time structural deflection in hydraulically actuated three-dimensional systems. It is based on SLIDE, a machine-learning-based method to estimate dynamic responses of mechanical systems subjected to forced excitations.~Further, an algorithm is introduced for the data acquisition from a hydraulically actuated system using randomized initial configurations and hydraulic pressures.~The new framework was tested on a hydraulically actuated flexible boom with various sensor combinations and lifting various payloads. The neural network was successfully trained in less time using standard parameters from PyTorch, ADAM optimizer, the various sensor inputs, and minimal output data. The SLIDE-trained neural network accelerated deflection estimation solutions by a factor of 10^7 in reference to flexible multibody simulation batches and provided reasonable accuracy. These results support the studies goal of providing robust, real-time solutions for control, robotic manipulators, structural health monitoring, and automation problems.

  • 6 authors
·
Mar 10, 2025

Automating modeling in mechanics: LLMs as designers of physics-constrained neural networks for constitutive modeling of materials

Large language model (LLM)-based agentic frameworks increasingly adopt the paradigm of dynamically generating task-specific agents. We suggest that not only agents but also specialized software modules for scientific and engineering tasks can be generated on demand. We demonstrate this concept in the field of solid mechanics. There, so-called constitutive models are required to describe the relationship between mechanical stress and body deformation. Constitutive models are essential for both the scientific understanding and industrial application of materials. However, even recent data-driven methods of constitutive modeling, such as constitutive artificial neural networks (CANNs), still require substantial expert knowledge and human labor. We present a framework in which an LLM generates a CANN on demand, tailored to a given material class and dataset provided by the user. The framework covers LLM-based architecture selection, integration of physical constraints, and complete code generation. Evaluation on three benchmark problems demonstrates that LLM-generated CANNs achieve accuracy comparable to or greater than manually engineered counterparts, while also exhibiting reliable generalization to unseen loading scenarios and extrapolation to large deformations. These findings indicate that LLM-based generation of physics-constrained neural networks can substantially reduce the expertise required for constitutive modeling and represent a step toward practical end-to-end automation.

  • 7 authors
·
Dec 1, 2025

FEM-Bench: A Structured Scientific Reasoning Benchmark for Evaluating Code-Generating LLMs

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics, which develops and applies mathematical models and numerical methods to predict the behavior of physical systems under forces, deformation, and constraints, provides an ideal foundation for structured scientific reasoning evaluation. Problems follow clear mathematical structure, enforce strict physical and numerical constraints, and support objective verification. The discipline requires constructing explicit models of physical systems and reasoning about geometry, spatial relationships, and material behavior, connecting directly to emerging AI goals in physical reasoning and world modeling. We introduce FEM-Bench, a computational mechanics benchmark designed to evaluate the ability of LLMs to generate correct finite element method (FEM) and related code. FEM-Bench 2025 contains a suite of introductory but nontrivial tasks aligned with material from a first graduate course on computational mechanics. These tasks capture essential numerical and physical modeling challenges while representing only a small fraction of the complexity present in the discipline. Despite their simplicity, state-of-the-art LLMs do not reliably solve all of them. In a five attempt run, the best performing model at function writing, Gemini 3 Pro, completed 30/33 tasks at least once and 26/33 tasks all five times. The best performing model at unit test writing, GPT-5, had an Average Joint Success Rate of 73.8%. Other popular models showed broad performance variation. FEM-Bench establishes a structured foundation for evaluating AI-generated scientific code, and future iterations will incorporate increasingly sophisticated tasks to track progress as models evolve.

  • 4 authors
·
Dec 23, 2025

Modelling & Steady State Compliance Testing of an Improved Time Synchronized Phasor Measurement Unit Based on IEEE Standard C37.118.1

Synchrophasor technology is an emerging and developing technology for monitoring and control of wide area measurement systems (WAMS). In an elementary WAMS, two identical phasors measured at two different locations have difference in the phase angles measured since their reference waveforms are not synchronized with each other. Phasor measurement units (PMUs) measure input phasors with respect to a common reference wave based on the atomic clock pulses received from global positioning system (GPS) satellites, eliminating variation in the measured phase angles due to distant locations of the measurement nodes. This has found tremendous applications in quick fault detection, fault location analysis, accurate current, voltage, frequency and phase angle measurements in WAMS. Commercially available PMU models are often proven to be expensive for research and development as well as for grid integration projects. This research article proposes an economic PMU model optimized for accurate steadystate performance based on recursive discrete Fourier transform (DFT) and provides results and detailed analysis of the proposed PMU model as per the steady state compliance specifications of IEEE standard C37.118.1. Results accurate up to 13 digits after decimal point are obtained through the developed PMU model for both nominal and off-nominal frequency inputs in steady state.

  • 1 authors
·
Apr 14, 2025

Determining large-strain metal plasticity parameters using in-situ measurements of plastic flow past a wedge

We present a novel approach to determine the constitutive properties of metals under large plastic strains and strain rates that otherwise are difficult to access using conventional materials testing methods. The approach exploits large-strain plastic flow past a sharp wedge, coupled with high-speed photography and image velocimetry to capture the underlying plastic flow dynamics. The inverse problem of estimating material parameters from the flow field is solved using an iterative optimization procedure that minimizes the gap between internal and external plastic work. A major advantage of the method is that it neither makes any assumptions about the flow nor requires computational simulations. To counter the problem of non-unique parameter estimates, we propose a parameterization scheme that takes advantage of the functional form of the constitutive model and reformulates the problem into a more tractable form to identify plasticity parameters uniquely. We present studies to illustrate the principle of the method with two materials with widely different plastic flow characteristics: copper (strain hardening) and a lead-free solder alloy (rate sensitive and deformation history dependent). The results demonstrate the efficacy of the method in reliably determining the material parameters under high strain/strain rate conditions of relevance to a range of practical engineering problems.

  • 4 authors
·
May 28, 2022

Fast and Accurate Zero-Training Classification for Tabular Engineering Data

In engineering design, navigating complex decision-making landscapes demands a thorough exploration of the design, performance, and constraint spaces, often impeded by resource-intensive simulations. Data-driven methods can mitigate this challenge by harnessing historical data to delineate feasible domains, accelerate optimization, or evaluate designs. However, the implementation of these methods usually demands machine-learning expertise and multiple trials to choose the right method and hyperparameters. This makes them less accessible for numerous engineering situations. Additionally, there is an inherent trade-off between training speed and accuracy, with faster methods sometimes compromising precision. In our paper, we demonstrate that a recently released general-purpose transformer-based classification model, TabPFN, is both fast and accurate. Notably, it requires no dataset-specific training to assess new tabular data. TabPFN is a Prior-Data Fitted Network, which undergoes a one-time offline training across a broad spectrum of synthetic datasets and performs in-context learning. We evaluated TabPFN's efficacy across eight engineering design classification problems, contrasting it with seven other algorithms, including a state-of-the-art AutoML method. For these classification challenges, TabPFN consistently outperforms in speed and accuracy. It is also the most data-efficient and provides the added advantage of being differentiable and giving uncertainty estimates. Our findings advocate for the potential of pre-trained models that learn from synthetic data and require no domain-specific tuning to make data-driven engineering design accessible to a broader community and open ways to efficient general-purpose models valid across applications. Furthermore, we share a benchmark problem set for evaluating new classification algorithms in engineering design.

  • 2 authors
·
Jan 12, 2024

PINN surrogate of Li-ion battery models for parameter inference. Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of 2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. In the low-data availability scenario, the testing error was estimated to 2mV for the SPM surrogate and 10mV for the P2D surrogate which could be mitigated with additional data.

  • 9 authors
·
Dec 28, 2023

Uncertainty quantification in a mechanical submodel driven by a Wasserstein-GAN

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

  • 4 authors
·
Oct 26, 2021

Energy Injection Identification enabled Disaggregation with Deep Multi-Task Learning

Non-Intrusive Load Monitoring (NILM) offers a cost-effective method to obtain fine-grained appliance-level energy consumption in smart homes and building applications. However, the increasing adoption of behind-the-meter (BTM) energy sources such as solar panels and battery storage poses new challenges for conventional NILM methods that rely solely on at-the-meter data. The energy injected from the BTM sources can obscure the power signatures of individual appliances, leading to a significant decrease in NILM performance. To address this challenge, we present DualNILM, a deep multi-task learning framework designed for the dual tasks of appliance state recognition and injected energy identification. Using a Transformer-based architecture that integrates sequence-to-point and sequence-to-sequence strategies, DualNILM effectively captures multiscale temporal dependencies in the aggregate power consumption patterns, allowing for accurate appliance state recognition and energy injection identification. Extensive evaluation on self-collected and synthesized datasets demonstrates that DualNILM maintains an excellent performance for dual tasks in NILM, much outperforming conventional methods. Our work underscores the framework's potential for robust energy disaggregation in modern energy systems with renewable penetration. Synthetic photovoltaic augmented datasets with realistic injection simulation methodology are open-sourced at https://github.com/MathAdventurer/PV-Augmented-NILM-Datasets.

  • 6 authors
·
Aug 20, 2025

Fatigue-PINN: Physics-Informed Fatigue-Driven Motion Modulation and Synthesis

Fatigue modeling is essential for motion synthesis tasks to model human motions under fatigued conditions and biomechanical engineering applications, such as investigating the variations in movement patterns and posture due to fatigue, defining injury risk mitigation and prevention strategies, formulating fatigue minimization schemes and creating improved ergonomic designs. Nevertheless, employing data-driven methods for synthesizing the impact of fatigue on motion, receives little to no attention in the literature. In this work, we present Fatigue-PINN, a deep learning framework based on Physics-Informed Neural Networks, for modeling fatigued human movements, while providing joint-specific fatigue configurations for adaptation and mitigation of motion artifacts on a joint level, resulting in more realistic animations. To account for muscle fatigue, we simulate the fatigue-induced fluctuations in the maximum exerted joint torques by leveraging a PINN adaptation of the Three-Compartment Controller model to exploit physics-domain knowledge for improving accuracy. This model also introduces parametric motion alignment with respect to joint-specific fatigue, hence avoiding sharp frame transitions. Our results indicate that Fatigue-PINN accurately simulates the effects of externally perceived fatigue on open-type human movements being consistent with findings from real-world experimental fatigue studies. Since fatigue is incorporated in torque space, Fatigue-PINN provides an end-to-end encoder-decoder-like architecture, to ensure transforming joint angles to joint torques and vice-versa, thus, being compatible with motion synthesis frameworks operating on joint angles.

  • 2 authors
·
Feb 26, 2025

Open-source Flux Transport (OFT). I. HipFT -- High-performance Flux Transport

Global solar photospheric magnetic maps play a critical role in solar and heliospheric physics research. Routine magnetograph measurements of the field occur only along the Sun-Earth line, leaving the far-side of the Sun unobserved. Surface Flux Transport (SFT) models attempt to mitigate this by modeling the surface evolution of the field. While such models have long been established in the community (with several releasing public full-Sun maps), none are open source. The Open Source Flux Transport (OFT) model seeks to fill this gap by providing an open and user-extensible SFT model that also builds on the knowledge of previous models with updated numerical and data acquisition/assimilation methods along with additional user-defined features. In this first of a series of papers on OFT, we introduce its computational core: the High-performance Flux Transport (HipFT) code (github.com/predsci/hipft). HipFT implements advection, diffusion, and data assimilation in a modular design that supports a variety of flow models and options. It can compute multiple realizations in a single run across model parameters to create ensembles of maps for uncertainty quantification and is high-performance through the use of multi-CPU and multi-GPU parallelism. HipFT is designed to enable users to easily write extensions, enhancing its flexibility and adaptability. We describe HipFT's model features, validations of its numerical methods, performance of its parallel and GPU-accelerated code implementation, analysis/post-processing options, and example use cases.

  • 8 authors
·
Jan 10, 2025

Decentralized Integration of Grid Edge Resources into Wholesale Electricity Markets via Mean-field Games

Grid edge resources refer to distributed energy resources (DERs) located on the consumer side of the electrical grid, controlled by consumers rather than utility companies. Integrating DERs with real-time electricity pricing can better align distributed supply with system demand, improving grid efficiency and reliability. However, DER owners, known as prosumers, often lack the expertise and resources to directly participate in wholesale energy markets, limiting their ability to fully realize the economic potential of their assets. Meanwhile, as DER adoption grows, the number of prosumers participating in the energy system is expected to increase significantly, creating additional challenges in coordination and market participation. To address these challenges, we propose a mean-field game framework that enables prosumers to autonomously learn optimal decision policies based on dynamic market prices and their variable solar generation. Our framework is designed to accommodate heterogeneous agents and demonstrates the existence of a mean-field equilibrium (MFE) in a wholesale energy market with many prosumers. Additionally, we introduce an algorithm that automates prosumers' resource control, facilitating real-time decision-making for energy storage management. Numerical experiments suggest that our approach converges towards an MFE and effectively reduces peak loads and price volatility, especially during periods of external demand or supply shocks. This study highlights the potential of a fully decentralized approach to integrating DERs into wholesale markets while improving market efficiency.

  • 2 authors
·
Mar 10, 2025

Analysis and Applications of Deep Learning with Finite Samples in Full Life-Cycle Intelligence of Nuclear Power Generation

The advent of Industry 4.0 has precipitated the incorporation of Artificial Intelligence (AI) methods within industrial contexts, aiming to realize intelligent manufacturing, operation as well as maintenance, also known as industrial intelligence. However, intricate industrial milieus, particularly those relating to energy exploration and production, frequently encompass data characterized by long-tailed class distribution, sample imbalance, and domain shift. These attributes pose noteworthy challenges to data-centric Deep Learning (DL) techniques, crucial for the realization of industrial intelligence. The present study centers on the intricate and distinctive industrial scenarios of Nuclear Power Generation (NPG), meticulously scrutinizing the application of DL techniques under the constraints of finite data samples. Initially, the paper expounds on potential employment scenarios for AI across the full life-cycle of NPG. Subsequently, we delve into an evaluative exposition of DL's advancement, grounded in the finite sample perspective. This encompasses aspects such as small-sample learning, few-shot learning, zero-shot learning, and open-set recognition, also referring to the unique data characteristics of NPG. The paper then proceeds to present two specific case studies. The first revolves around the automatic recognition of zirconium alloy metallography, while the second pertains to open-set recognition for signal diagnosis of machinery sensors. These cases, spanning the entirety of NPG's life-cycle, are accompanied by constructive outcomes and insightful deliberations. By exploring and applying DL methodologies within the constraints of finite sample availability, this paper not only furnishes a robust technical foundation but also introduces a fresh perspective toward the secure and efficient advancement and exploitation of this advanced energy source.

  • 11 authors
·
Nov 7, 2023

MMGP: a Mesh Morphing Gaussian Process-based machine learning method for regression of physical problems under non-parameterized geometrical variability

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.

  • 3 authors
·
May 22, 2023

Parallel Bayesian Optimization of Agent-based Transportation Simulation

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

Developing an Explainable Artificial Intelligent (XAI) Model for Predicting Pile Driving Vibrations in Bangkok's Subsoil

This study presents an explainable artificial intelligent (XAI) model for predicting pile driving vibrations in Bangkok's soft clay subsoil. A deep neural network was developed using a dataset of 1,018 real-world pile driving measurements, encompassing variations in pile dimensions, hammer characteristics, sensor locations, and vibration measurement axes. The model achieved a mean absolute error (MAE) of 0.276, outperforming traditional empirical methods and other machine learning approaches such as XGBoost and CatBoost. SHapley Additive exPlanations (SHAP) analysis was employed to interpret the model's predictions, revealing complex relationships between input features and peak particle velocity (PPV). Distance from the pile driving location emerged as the most influential factor, followed by hammer weight and pile size. Non-linear relationships and threshold effects were observed, providing new insights into vibration propagation in soft clay. A web-based application was developed to facilitate adoption by practicing engineers, bridging the gap between advanced machine learning techniques and practical engineering applications. This research contributes to the field of geotechnical engineering by offering a more accurate and nuanced approach to predicting pile driving vibrations, with implications for optimizing construction practices and mitigating environmental impacts in urban areas. The model and its source code are publicly available, promoting transparency and reproducibility in geotechnical research.

  • 2 authors
·
Sep 8, 2024

Open-source implementation of distribution network reconfiguration methods: Analysis and comparison

This paper presents a critical and practical approach to the evolution of distribution network reconfiguration algorithms, tracing their development from foundational heuristic methods introduced in 1975 to contemporary state-of-the-art techniques. The article systematically reviews seven different methodologies, including classical heuristic algorithms (Merlin, Baran, and others), advanced meta-heuristic methodologies (particle swarm optimization (PSO) and genetic algorithms), and purely mathematical approaches (MILP-based), analyzing their theoretical foundations, implementation strategies, computational complexity, and performance metrics based on extensive literature review and our own empirical testing. Each methodology is assessed through standardized test systems, considering multiple objectives such as power loss minimization and voltage profile improvement. The comparative analysis reveals the strengths and limitations of each approach under various network conditions and operational constraints. Furthermore, this work provides significant value to the research community by offering an open-source repository containing documented implementations of all reviewed algorithms. This resource facilitates accessibility for newcomers to the field, promotes reproducible research, and accelerates the development of next-generation distribution network optimization solutions. The repository includes comprehensive documentation, test cases, and performance benchmarks.

  • 3 authors
·
Nov 28, 2025

Efficient Estimation of Material Property Curves and Surfaces via Active Learning

The relationship between material properties and independent variables such as temperature, external field or time, is usually represented by a curve or surface in a multi-dimensional space. Determining such a curve or surface requires a series of experiments or calculations which are often time and cost consuming. A general strategy uses an appropriate utility function to sample the space to recommend the next optimal experiment or calculation within an active learning loop. However, knowing what the optimal sampling strategy to use to minimize the number of experiments is an outstanding problem. We compare a number of strategies based on directed exploration on several materials problems of varying complexity using a Kriging based model. These include one dimensional curves such as the fatigue life curve for 304L stainless steel and the Liquidus line of the Fe-C phase diagram, surfaces such as the Hartmann 3 function in 3D space and the fitted intermolecular potential for Ar-SH, and a four dimensional data set of experimental measurements for BaTiO3 based ceramics. We also consider the effects of experimental noise on the Hartmann 3 function. We find that directed exploration guided by maximum variance provides better performance overall, converging faster across several data sets. However, for certain problems, the trade-off methods incorporating exploitation can perform at least as well, if not better than maximum variance. Thus, we discuss how the choice of the utility function depends on the distribution of the data, the model performance and uncertainties, additive noise as well as the budget.

  • 7 authors
·
Oct 14, 2020

New RVE concept in thermoelasticity of periodic composites subjected to compact support loading

This paper introduces an advanced Computational Analytical Micromechanics (CAM) framework for linear thermoelastic composites (CMs) with periodic microstructures. The approach is based on an exact new Additive General Integral Equation (AGIE), formulated for compactly supported loading conditions, such as body forces and localized thermal effects (for example laser heating). In addition, new general integral equations (GIEs) are established for arbitrary mechanical and thermal loading. A unified iterative scheme is developed for solving the static AGIEs, where the compact support of loading serves as a new fundamental training parameter. At the core of the methodology lies a generalized Representative Volume Element (RVE) concept that extends Hill classical definition of the RVE. Unlike conventional RVEs, this generalized RVE is not fixed geometrically but emerges naturally from the characteristic scale of localized loading, thereby reducing the analysis of an infinite periodic medium to a finite, data-driven domain. This formulation automatically filters out nonrepresentative subsets of effective parameters while eliminating boundary effects, edge artifacts, and finite-size sample dependencies. Furthermore, the AGIE-based CAM framework integrates seamlessly with machine learning (ML) and neural network (NN) architectures, supporting the development of accurate, physics-informed surrogate nonlocal operators.

  • 1 authors
·
Dec 21, 2025

RealPDEBench: A Benchmark for Complex Physical Systems with Real-World Data

Predicting the evolution of complex physical systems remains a central problem in science and engineering. Despite rapid progress in scientific Machine Learning (ML) models, a critical bottleneck is the lack of expensive real-world data, resulting in most current models being trained and validated on simulated data. Beyond limiting the development and evaluation of scientific ML, this gap also hinders research into essential tasks such as sim-to-real transfer. We introduce RealPDEBench, the first benchmark for scientific ML that integrates real-world measurements with paired numerical simulations. RealPDEBench consists of five datasets, three tasks, eight metrics, and ten baselines. We first present five real-world measured datasets with paired simulated datasets across different complex physical systems. We further define three tasks, which allow comparisons between real-world and simulated data, and facilitate the development of methods to bridge the two. Moreover, we design eight evaluation metrics, spanning data-oriented and physics-oriented metrics, and finally benchmark ten representative baselines, including state-of-the-art models, pretrained PDE foundation models, and a traditional method. Experiments reveal significant discrepancies between simulated and real-world data, while showing that pretraining with simulated data consistently improves both accuracy and convergence. In this work, we hope to provide insights from real-world data, advancing scientific ML toward bridging the sim-to-real gap and real-world deployment. Our benchmark, datasets, and instructions are available at https://realpdebench.github.io/.

  • 16 authors
·
Jan 5

Prithvi WxC: Foundation Model for Weather and Climate

Triggered by the realization that AI emulators can rival the performance of traditional numerical weather prediction models running on HPC systems, there is now an increasing number of large AI models that address use cases such as forecasting, downscaling, or nowcasting. While the parallel developments in the AI literature focus on foundation models -- models that can be effectively tuned to address multiple, different use cases -- the developments on the weather and climate side largely focus on single-use cases with particular emphasis on mid-range forecasting. We close this gap by introducing Prithvi WxC, a 2.3 billion parameter foundation model developed using 160 variables from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2). Prithvi WxC employs an encoder-decoder-based architecture, incorporating concepts from various recent transformer models to effectively capture both regional and global dependencies in the input data. The model has been designed to accommodate large token counts to model weather phenomena in different topologies at fine resolutions. Furthermore, it is trained with a mixed objective that combines the paradigms of masked reconstruction with forecasting. We test the model on a set of challenging downstream tasks namely: Autoregressive rollout forecasting, Downscaling, Gravity wave flux parameterization, and Extreme events estimation. The pretrained model with 2.3 billion parameters, along with the associated fine-tuning workflows, has been publicly released as an open-source contribution via Hugging Face.

  • 29 authors
·
Sep 20, 2024 4

NeuralDEM -- Real-time Simulation of Industrial Particulate Flows

Advancements in computing power have made it possible to numerically simulate large-scale fluid-mechanical and/or particulate systems, many of which are integral to core industrial processes. Among the different numerical methods available, the discrete element method (DEM) provides one of the most accurate representations of a wide range of physical systems involving granular and discontinuous materials. Consequently, DEM has become a widely accepted approach for tackling engineering problems connected to granular flows and powder mechanics. Additionally, DEM can be integrated with grid-based computational fluid dynamics (CFD) methods, enabling the simulation of chemical processes taking place, e.g., in fluidized beds. However, DEM is computationally intensive because of the intrinsic multiscale nature of particulate systems, restricting simulation duration or number of particles. Towards this end, NeuralDEM presents an end-to-end approach to replace slow numerical DEM routines with fast, adaptable deep learning surrogates. NeuralDEM is capable of picturing long-term transport processes across different regimes using macroscopic observables without any reference to microscopic model parameters. First, NeuralDEM treats the Lagrangian discretization of DEM as an underlying continuous field, while simultaneously modeling macroscopic behavior directly as additional auxiliary fields. Second, NeuralDEM introduces multi-branch neural operators scalable to real-time modeling of industrially-sized scenarios - from slow and pseudo-steady to fast and transient. Such scenarios have previously posed insurmountable challenges for deep learning models. Notably, NeuralDEM faithfully models coupled CFD-DEM fluidized bed reactors of 160k CFD cells and 500k DEM particles for trajectories of 28s. NeuralDEM will open many new doors to advanced engineering and much faster process cycles.

  • 6 authors
·
Nov 14, 2024

The Role of Deep Learning in Advancing Proactive Cybersecurity Measures for Smart Grid Networks: A Survey

As smart grids (SG) increasingly rely on advanced technologies like sensors and communication systems for efficient energy generation, distribution, and consumption, they become enticing targets for sophisticated cyberattacks. These evolving threats demand robust security measures to maintain the stability and resilience of modern energy systems. While extensive research has been conducted, a comprehensive exploration of proactive cyber defense strategies utilizing Deep Learning (DL) in {SG} remains scarce in the literature. This survey bridges this gap, studying the latest DL techniques for proactive cyber defense. The survey begins with an overview of related works and our distinct contributions, followed by an examination of SG infrastructure. Next, we classify various cyber defense techniques into reactive and proactive categories. A significant focus is placed on DL-enabled proactive defenses, where we provide a comprehensive taxonomy of DL approaches, highlighting their roles and relevance in the proactive security of SG. Subsequently, we analyze the most significant DL-based methods currently in use. Further, we explore Moving Target Defense, a proactive defense strategy, and its interactions with DL methodologies. We then provide an overview of benchmark datasets used in this domain to substantiate the discourse.{ This is followed by a critical discussion on their practical implications and broader impact on cybersecurity in Smart Grids.} The survey finally lists the challenges associated with deploying DL-based security systems within SG, followed by an outlook on future developments in this key field.

  • 3 authors
·
Jan 11, 2024

Learning More with Less: A Generalizable, Self-Supervised Framework for Privacy-Preserving Capacity Estimation with EV Charging Data

Accurate battery capacity estimation is key to alleviating consumer concerns about battery performance and reliability of electric vehicles (EVs). However, practical data limitations imposed by stringent privacy regulations and labeled data shortages hamper the development of generalizable capacity estimation models that remain robust to real-world data distribution shifts. While self-supervised learning can leverage unlabeled data, existing techniques are not particularly designed to learn effectively from challenging field data -- let alone from privacy-friendly data, which are often less feature-rich and noisier. In this work, we propose a first-of-its-kind capacity estimation model based on self-supervised pre-training, developed on a large-scale dataset of privacy-friendly charging data snippets from real-world EV operations. Our pre-training framework, snippet similarity-weighted masked input reconstruction, is designed to learn rich, generalizable representations even from less feature-rich and fragmented privacy-friendly data. Our key innovation lies in harnessing contrastive learning to first capture high-level similarities among fragmented snippets that otherwise lack meaningful context. With our snippet-wise contrastive learning and subsequent similarity-weighted masked reconstruction, we are able to learn rich representations of both granular charging patterns within individual snippets and high-level associative relationships across different snippets. Bolstered by this rich representation learning, our model consistently outperforms state-of-the-art baselines, achieving 31.9% lower test error than the best-performing benchmark, even under challenging domain-shifted settings affected by both manufacturer and age-induced distribution shifts. Source code is available at https://github.com/en-research/GenEVBattery.

  • 6 authors
·
Oct 5, 2025

Dynamic Modeling and Vibration Analysis of Large Deployable Mesh Reflectors

Large deployable mesh reflectors are essential for space applications, providing precise reflecting surfaces for high-gain antennas used in satellite communications, Earth observation, and deep-space missions. During on-orbit missions, active shape adjustment and attitude control are crucial for maintaining surface accuracy and proper orientation for these reflectors, ensuring optimal performance. Preventing resonance through thorough dynamic modeling and vibration analysis is vital to avoid structural damage and ensure stability and reliability. Existing dynamic modeling approaches, such as wave and finite element methods, often fail to accurately predict dynamic responses due to the limited capability of handling three-dimensional reflectors or the oversimplification of cable members of a reflector. This paper proposes the Cartesian spatial discretization method for dynamic modeling and vibration analysis of cable-network structures in large deployable mesh reflectors. This method defines cable member positions as a summation of internal and boundary-induced terms within a global Cartesian coordinate system. Numerical simulation on a two-dimensional cable-network structure and a center-feed mesh reflector demonstrates the superiority of the proposed method over traditional approaches, highlighting its accuracy and versatility, and establishing it as a robust tool for analyzing three-dimensional complex reflector configurations.

  • 5 authors
·
Oct 23, 2024

AdaptDHM: Adaptive Distribution Hierarchical Model for Multi-Domain CTR Prediction

Large-scale commercial platforms usually involve numerous business domains for diverse business strategies and expect their recommendation systems to provide click-through rate (CTR) predictions for multiple domains simultaneously. Existing promising and widely-used multi-domain models discover domain relationships by explicitly constructing domain-specific networks, but the computation and memory boost significantly with the increase of domains. To reduce computational complexity, manually grouping domains with particular business strategies is common in industrial applications. However, this pre-defined data partitioning way heavily relies on prior knowledge, and it may neglect the underlying data distribution of each domain, hence limiting the model's representation capability. Regarding the above issues, we propose an elegant and flexible multi-distribution modeling paradigm, named Adaptive Distribution Hierarchical Model (AdaptDHM), which is an end-to-end optimization hierarchical structure consisting of a clustering process and classification process. Specifically, we design a distribution adaptation module with a customized dynamic routing mechanism. Instead of introducing prior knowledge for pre-defined data allocation, this routing algorithm adaptively provides a distribution coefficient for each sample to determine which cluster it belongs to. Each cluster corresponds to a particular distribution so that the model can sufficiently capture the commonalities and distinctions between these distinct clusters. Extensive experiments on both public and large-scale Alibaba industrial datasets verify the effectiveness and efficiency of AdaptDHM: Our model achieves impressive prediction accuracy and its time cost during the training stage is more than 50% less than that of other models.

  • 6 authors
·
Nov 22, 2022

CloudFormer: An Attention-based Performance Prediction for Public Clouds with Unknown Workload

Cloud platforms are increasingly relied upon to host diverse, resource-intensive workloads due to their scalability, flexibility, and cost-efficiency. In multi-tenant cloud environments, virtual machines are consolidated on shared physical servers to improve resource utilization. While virtualization guarantees resource partitioning for CPU, memory, and storage, it cannot ensure performance isolation. Competition for shared resources such as last-level cache, memory bandwidth, and network interfaces often leads to severe performance degradation. Existing management techniques, including VM scheduling and resource provisioning, require accurate performance prediction to mitigate interference. However, this remains challenging in public clouds due to the black-box nature of VMs and the highly dynamic nature of workloads. To address these limitations, we propose CloudFormer, a dual-branch Transformer-based model designed to predict VM performance degradation in black-box environments. CloudFormer jointly models temporal dynamics and system-level interactions, leveraging 206 system metrics at one-second resolution across both static and dynamic scenarios. This design enables the model to capture transient interference effects and adapt to varying workload conditions without scenario-specific tuning. Complementing the methodology, we provide a fine-grained dataset that significantly expands the temporal resolution and metric diversity compared to existing benchmarks. Experimental results demonstrate that CloudFormer consistently outperforms state-of-the-art baselines across multiple evaluation metrics, achieving robust generalization across diverse and previously unseen workloads. Notably, CloudFormer attains a mean absolute error (MAE) of just 7.8%, representing a substantial improvement in predictive accuracy and outperforming existing methods at least by 28%.

  • 4 authors
·
Sep 3, 2025

A Three-regime Model of Network Pruning

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability remains elusive. To address this gap, we introduce a phenomenological model grounded in the statistical mechanics of learning. Our approach uses temperature-like and load-like parameters to model the impact of neural network (NN) training hyperparameters on pruning performance. A key empirical result we identify is a sharp transition phenomenon: depending on the value of a load-like parameter in the pruned model, increasing the value of a temperature-like parameter in the pre-pruned model may either enhance or impair subsequent pruning performance. Based on this transition, we build a three-regime model by taxonomizing the global structure of the pruned NN loss landscape. Our model reveals that the dichotomous effect of high temperature is associated with transitions between distinct types of global structures in the post-pruned model. Based on our results, we present three case-studies: 1) determining whether to increase or decrease a hyperparameter for improved pruning; 2) selecting the best model to prune from a family of models; and 3) tuning the hyperparameter of the Sharpness Aware Minimization method for better pruning performance.

  • 4 authors
·
May 28, 2023

A Digital Twin for Diesel Engines: Operator-infused Physics-Informed Neural Networks with Transfer Learning for Engine Health Monitoring

Improving diesel engine efficiency, reducing emissions, and enabling robust health monitoring have been critical research topics in engine modelling. While recent advancements in the use of neural networks for system monitoring have shown promising results, such methods often focus on component-level analysis, lack generalizability, and physical interpretability. In this study, we propose a novel hybrid framework that combines physics-informed neural networks (PINNs) with deep operator networks (DeepONet) to enable accurate and computationally efficient parameter identification in mean-value diesel engine models. Our method leverages physics-based system knowledge in combination with data-driven training of neural networks to enhance model applicability. Incorporating offline-trained DeepONets to predict actuator dynamics significantly lowers the online computation cost when compared to the existing PINN framework. To address the re-training burden typical of PINNs under varying input conditions, we propose two transfer learning (TL) strategies: (i) a multi-stage TL scheme offering better runtime efficiency than full online training of the PINN model and (ii) a few-shot TL scheme that freezes a shared multi-head network body and computes physics-based derivatives required for model training outside the training loop. The second strategy offers a computationally inexpensive and physics-based approach for predicting engine dynamics and parameter identification, offering computational efficiency over the existing PINN framework. Compared to existing health monitoring methods, our framework combines the interpretability of physics-based models with the flexibility of deep learning, offering substantial gains in generalization, accuracy, and deployment efficiency for diesel engine diagnostics.

  • 4 authors
·
Dec 16, 2024