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Oct 19

GenCorres: Consistent Shape Matching via Coupled Implicit-Explicit Shape Generative Models

This paper introduces GenCorres, a novel unsupervised joint shape matching (JSM) approach. Our key idea is to learn a mesh generator to fit an unorganized deformable shape collection while constraining deformations between adjacent synthetic shapes to preserve geometric structures such as local rigidity and local conformality. GenCorres presents three appealing advantages over existing JSM techniques. First, GenCorres performs JSM among a synthetic shape collection whose size is much bigger than the input shapes and fully leverages the datadriven power of JSM. Second, GenCorres unifies consistent shape matching and pairwise matching (i.e., by enforcing deformation priors between adjacent synthetic shapes). Third, the generator provides a concise encoding of consistent shape correspondences. However, learning a mesh generator from an unorganized shape collection is challenging, requiring a good initialization. GenCorres addresses this issue by learning an implicit generator from the input shapes, which provides intermediate shapes between two arbitrary shapes. We introduce a novel approach for computing correspondences between adjacent implicit surfaces, which we use to regularize the implicit generator. Synthetic shapes of the implicit generator then guide initial fittings (i.e., via template-based deformation) for learning the mesh generator. Experimental results show that GenCorres considerably outperforms state-of-the-art JSM techniques. The synthetic shapes of GenCorres also achieve salient performance gains against state-of-the-art deformable shape generators.

  • 5 authors
·
Apr 20, 2023

IRCoder: Intermediate Representations Make Language Models Robust Multilingual Code Generators

Code understanding and generation have fast become some of the most popular applications of language models (LMs). Nonetheless, research on multilingual aspects of Code-LMs (i.e., LMs for code generation) such as cross-lingual transfer between different programming languages, language-specific data augmentation, and post-hoc LM adaptation, alongside exploitation of data sources other than the original textual content, has been much sparser than for their natural language counterparts. In particular, most mainstream Code-LMs have been pre-trained on source code files alone. In this work, we investigate the prospect of leveraging readily available compiler intermediate representations (IR) - shared across programming languages - to improve the multilingual capabilities of Code-LMs and facilitate cross-lingual transfer. To this end, we first compile SLTrans, a parallel dataset consisting of nearly 4M self-contained source code files coupled with respective intermediate representations. Next, starting from various base Code-LMs (ranging in size from 1.1B to 7.3B parameters), we carry out continued causal language modelling training on SLTrans, forcing the Code-LMs to (1) learn the IR language and (2) align the IR constructs with respective constructs of various programming languages. Our resulting models, dubbed IRCoder, display sizeable and consistent gains across a wide variety of code generation tasks and metrics, including prompt robustness, multilingual code completion, code understanding, and instruction following.

  • 3 authors
·
Mar 6, 2024

Photo3D: Advancing Photorealistic 3D Generation through Structure-Aligned Detail Enhancement

Although recent 3D-native generators have made great progress in synthesizing reliable geometry, they still fall short in achieving realistic appearances. A key obstacle lies in the lack of diverse and high-quality real-world 3D assets with rich texture details, since capturing such data is intrinsically difficult due to the diverse scales of scenes, non-rigid motions of objects, and the limited precision of 3D scanners. We introduce Photo3D, a framework for advancing photorealistic 3D generation, which is driven by the image data generated by the GPT-4o-Image model. Considering that the generated images can distort 3D structures due to their lack of multi-view consistency, we design a structure-aligned multi-view synthesis pipeline and construct a detail-enhanced multi-view dataset paired with 3D geometry. Building on it, we present a realistic detail enhancement scheme that leverages perceptual feature adaptation and semantic structure matching to enforce appearance consistency with realistic details while preserving the structural consistency with the 3D-native geometry. Our scheme is general to different 3D-native generators, and we present dedicated training strategies to facilitate the optimization of geometry-texture coupled and decoupled 3D-native generation paradigms. Experiments demonstrate that Photo3D generalizes well across diverse 3D-native generation paradigms and achieves state-of-the-art photorealistic 3D generation performance.

  • 5 authors
·
Dec 9, 2025

Image Tokenizer Needs Post-Training

Recent image generative models typically capture the image distribution in a pre-constructed latent space, relying on a frozen image tokenizer. However, there exists a significant discrepancy between the reconstruction and generation distribution, where current tokenizers only prioritize the reconstruction task that happens before generative training without considering the generation errors during sampling. In this paper, we comprehensively analyze the reason for this discrepancy in a discrete latent space, and, from which, we propose a novel tokenizer training scheme including both main-training and post-training, focusing on improving latent space construction and decoding respectively. During the main training, a latent perturbation strategy is proposed to simulate sampling noises, \ie, the unexpected tokens generated in generative inference. Specifically, we propose a plug-and-play tokenizer training scheme, which significantly enhances the robustness of tokenizer, thus boosting the generation quality and convergence speed, and a novel tokenizer evaluation metric, \ie, pFID, which successfully correlates the tokenizer performance to generation quality. During post-training, we further optimize the tokenizer decoder regarding a well-trained generative model to mitigate the distribution difference between generated and reconstructed tokens. With a sim400M generator, a discrete tokenizer trained with our proposed main training achieves a notable 1.60 gFID and further obtains 1.36 gFID with the additional post-training. Further experiments are conducted to broadly validate the effectiveness of our post-training strategy on off-the-shelf discrete and continuous tokenizers, coupled with autoregressive and diffusion-based generators.

  • 10 authors
·
Sep 15, 2025 2

Pushing Biomolecular Utility-Diversity Frontiers with Supergroup Relative Policy Optimization

Biomolecular generators are often adapted with reward feedback to improve task-specific utility, but pushing utility alone can concentrate generation on a narrow family of candidates. Maintaining diversity is difficult because sample diversity is a set-level property. We introduce Supergroup Relative Policy Optimization (SGRPO), a flexible GRPO-style framework that directly constructs rewards from set-level diversity. For each condition, SGRPO samples a supergroup of candidate sets, compares their diversity under the same condition, and redistributes the group diversity reward to individual rollouts through leave-one-out diversity contributions before combining it with rollout-level utility. This design decouples SGRPO from a particular generator, utility reward, or diversity metric, and allows instantiation with different GRPO-style approaches. We evaluate SGRPO on de novo small-molecule design, pocket-based small-molecule design, and de novo protein design, instantiating it with both GRPO and Coupled-GRPO across autoregressive and discrete diffusion generators. Across decoding sweeps, SGRPO expands the utility-diversity Pareto frontier and achieves the best frontier-level metrics relative to pretrained generators, GRPO, and memory-assisted GRPO when applicable. Our analyses further show that direct set-level diversity rewards remain effective with small groups and help preserve broader generation-distribution coverage during post-training. The code is available at https://github.com/IDEA-XL/SGRPO.

IDEA-XL IDEA-XL
·
May 8 1

Fysiverse-3D-Vision Technical Report: Generating Executable 3D Worlds from Images through Unified Spatial Reasoning

Generative models have advanced image-conditioned 3D content creation, yet generating controllable and executable 3D scenes from a single image remains challenging. Existing 3D generative approaches can synthesize visually plausible objects and scenes, but their spatial layout estimation is coupled with specific asset generators. They struggle to jointly model object semantics, metric geometry, and scene-level spatial relationships, which are essential for interactive editing, physical simulation, and embodied applications. We propose Fysiverse-3D-Vision, a unified vision-language-geometry framework for generative 3D scene reconstruction and executable asset construction from a single image. We establish a shared representation where spatial reasoning and geometric reconstruction mutually enhance each other, allowing object layouts to be inferred beyond the constraints of individual asset generators. Our model integrates textual supervision, semantic visual cues, and geometric representations within a unified Transformer to capture scene context, metric geometry, and object-level interactions. An object-conditioned layout module performs cross-attention between target object representations and global geometric features to predict object translation, rotation, and scale. Training progressively learns geometry-language alignment, introduces layout reasoning while preserving reconstruction capability, and refines physical consistency through collision-aware optimization. By separating spatial layout reasoning from asset synthesis, Fysiverse-3D-Vision provides an adaptable interface for interactive scene editing, object-level manipulations, and executable 3D content generation. Experiments demonstrate that our framework achieves superior geometric consistency, layout estimation, rendering quality, and physical property understanding compared with existing approaches.

  • 8 authors
·
Sep 21

High-Fidelity Digital Twin Dataset Generation for Inverter-Based Microgrids Under Multi-Scenario Disturbances

Public power-system datasets often lack electromagnetic transient (EMT) waveforms, inverter control dynamics, and diverse disturbance coverage, which limits their usefulness for training surrogate models and studying cyber-physical behavior in inverter-based microgrids. This paper presents a high-fidelity digital twin dataset generated from a MATLAB/Simulink EMT model of a low-voltage AC microgrid with ten inverter-based distributed generators. The dataset records synchronized three-phase PCC voltages and currents, per-DG active power, reactive power, and frequency, together with embedded scenario labels, producing 38 aligned channels sampled at Δt = 2~μs over T = 1~s (N = 500{,}001 samples) per scenario. Eleven operating and disturbance scenarios are included: normal operation, load step, voltage sag (temporary three-phase fault), load ramp, frequency ramp, DG trip, tie-line trip, reactive power step, single-line-to-ground faults, measurement noise injection, and communication delay. To ensure numerical stability without altering sequence length, invalid samples (NaN, Inf, and extreme outliers) are repaired using linear interpolation. Each scenario is further validated using system-level evidence from mean frequency, PCC voltage magnitude, total active power, voltage unbalance, and zero-sequence current to confirm physical observability and correct timing. The resulting dataset provides a consistent, labeled EMT benchmark for surrogate modeling, disturbance classification, robustness testing under noise and delay, and cyber-physical resilience analysis in inverter-dominated microgrids. The dataset and processing scripts will be released upon acceptance

  • 3 authors
·
Mar 9

Physics-Informed Neural Networks: a Plug and Play Integration into Power System Dynamic Simulations

Time-domain simulations are crucial for ensuring power system stability and avoiding critical scenarios that could lead to blackouts. The next-generation power systems require a significant increase in the computational cost and complexity of these simulations due to additional degrees of uncertainty, non-linearity and states. Physics-Informed Neural Networks (PINN) have been shown to accelerate single-component simulations by several orders of magnitude. However, their application to current time-domain simulation solvers has been particularly challenging since the system's dynamics depend on multiple components. Using a new training formulation, this paper introduces the first natural step to integrate PINNs into multi-component time-domain simulations. We propose PINNs as an alternative to other classical numerical methods for individual components. Once trained, these neural networks approximate component dynamics more accurately for longer time steps. Formulated as an implicit and consistent method with the transient simulation workflow, PINNs speed up simulation time by significantly increasing the time steps used. For explanation clarity, we demonstrate the training, integration, and simulation framework for several combinations of PINNs and numerical solution methods using the IEEE 9-bus system, although the method applies equally well to any power system size.

  • 3 authors
·
Jun 23, 2025

Hardware Generation and Exploration of Lookup Table-Based Accelerators for 1.58-bit LLM Inference

Ternary weight quantization (e.g., BitNet b1.58) offers a promising path to mitigate the memory bandwidth bottleneck in Large Language Model (LLM) inference. However, conventional compute platforms lack native support for ternary-weight arithmetic, often relying on inefficient dequantization. Lookup table (LUT)-based hardware architectures provide an effective alternative by replacing multiplications with conditional additions, but their design space remains largely unexplored. Existing designs rely on heuristic parameter selection, lacking a systematic understanding of the architectural trade-offs. This work addresses this gap by formalizing the design space of ternary LUT-based accelerators and presenting an open-source hardware generator coupled with an analytical cost model, validated against synthesis in TSMC 16nm technology. By spanning the full architectural space, this framework not only enables rapid design space exploration but also establishes a common footing for fair cross-design evaluation, which was previously hindered by inconsistent instantiations across published accelerators. Using this framework, we challenge several assumptions and design choices in recent literature. We demonstrate that the optimal architecture is fundamentally governed by the activation data type: while LUT-based reuse offers significant gains for high-cost arithmetic (e.g., FP16), it yields diminishing returns for small integer types. Furthermore, we show that maximizing core size consistently improves area density compared to highly tiled approaches. Our optimized designs achieve a 2.2x area reduction compared to multiplier-based baselines. Moreover, by benchmarking state-of-the-art implementations against our model, we reveal that correcting suboptimal parameters yields up to a 1.2x area improvement.

  • 4 authors
·
Apr 27

Multiphysics Bench: Benchmarking and Investigating Scientific Machine Learning for Multiphysics PDEs

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

  • 5 authors
·
May 23, 2025

Infrastructure-Native Computing with Electric Power Grids

Computing is conventionally implemented by hardware engineered for information processing. Here we investigate infrastructure-native computing: the use of a physical system built for another primary function as a fixed computational operator. In time-domain simulations of an IEEE 14-bus electrical network, Kirchhoff's current law and Ohm's law relate voltage-reference perturbations applied at distributed controllable nodes interfaced by power electronics converters to current responses through a topology-dependent transformation. A trained digital encoder and decoder exploit this transformation for image classification, reaching 91.5% accuracy on MNIST and 82.25% on Fashion-MNIST. The modeled operator is represented by 933 surrogate parameters, compared with 12,340 task-trained parameters for an accuracy-matched fully connected core transformation. Current superposition further supports concurrent spatial sharing of the operator and sequential temporal reuse, with per-stream accuracies above 85% and 93%, respectively, in surrogate-model evaluations. Evaluations on CIFAR-10 and repeated 10-class tasks sampled from a Butterflies-and-Moths dataset show that the incremental utility of the physical operator depends on the representation supplied by upstream digital feature extraction. These results provide a simulation-based proof of concept for infrastructure-native computing with electrical networks and identify topology, accessible control channels, and input representation as determinants of its computational utility.

  • 3 authors
·
Oct 5

Operator Learning for Power Systems Simulation

Time domain simulation, i.e., modeling the system's evolution over time, is a crucial tool for studying and enhancing power system stability and dynamic performance. However, these simulations become computationally intractable for renewable-penetrated grids, due to the small simulation time step required to capture renewable energy resources' ultra-fast dynamic phenomena in the range of 1-50 microseconds. This creates a critical need for solutions that are both fast and scalable, posing a major barrier for the stable integration of renewable energy resources and thus climate change mitigation. This paper explores operator learning, a family of machine learning methods that learn mappings between functions, as a surrogate model for these costly simulations. The paper investigates, for the first time, the fundamental concept of simulation time step-invariance, which enables models trained on coarse time steps to generalize to fine-resolution dynamics. Three operator learning methods are benchmarked on a simple test system that, while not incorporating practical complexities of renewable-penetrated grids, serves as a first proof-of-concept to demonstrate the viability of time step-invariance. Models are evaluated on (i) zero-shot super-resolution, where training is performed on a coarse simulation time step and inference is performed at super-resolution, and (ii) generalization between stable and unstable dynamic regimes. This work addresses a key challenge in the integration of renewable energy for the mitigation of climate change by benchmarking operator learning methods to model physical systems.

  • 3 authors
·
Oct 8, 2025

Leveraging Data-Driven Models for Accurate Analysis of Grid-Tied Smart Inverters Dynamics

The integration of power electronic converters (PECs) and distributed energy resources (DERs) in modern power systems has introduced dynamism and complexity. Accurate simulation becomes essential to comprehend the influence of converter domination on the power grid. This study addresses the fast-switching and stochastic behaviors exhibited by inverter-based resources in converter-dominated power systems, highlighting the necessity for precise analytical models. In the realm of modeling real-world systems, multiple methodologies exist. Notably, black-box and data-driven system identification techniques are employed to construct PEC models using experimental data, without relying on a priori knowledge of the internal system physics. This approach entails a systematic process of model class selection, parameter estimation, and model validation. While a range of linear and nonlinear model structures and estimation algorithms are at our disposal, it remains imperative to harness creativity and a profound understanding of the physical system to craft data-driven models that align seamlessly with their intended applications. These applications may encompass simulation, prediction, control, or fault detection. This report offers valuable insights into the collection of datasets from commercial off-the-shelf inverters, along with the presentation of intricate simulation models.

  • 9 authors
·
Oct 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

Transient Stability Analysis with Physics-Informed Neural Networks

We explore the possibility to use physics-informed neural networks to drastically accelerate the solution of ordinary differential-algebraic equations that govern the power system dynamics. When it comes to transient stability assessment, the traditionally applied methods either carry a significant computational burden, require model simplifications, or use overly conservative surrogate models. Conventional neural networks can circumvent these limitations but are faced with high demand of high-quality training datasets, while they ignore the underlying governing equations. Physics-informed neural networks are different: they incorporate the power system differential algebraic equations directly into the neural network training and drastically reduce the need for training data. This paper takes a deep dive into the performance of physics-informed neural networks for power system transient stability assessment. Introducing a new neural network training procedure to facilitate a thorough comparison, we explore how physics-informed neural networks compare with conventional differential-algebraic solvers and classical neural networks in terms of computation time, requirements in data, and prediction accuracy. We illustrate the findings on the Kundur two-area system, and assess the opportunities and challenges of physics-informed neural networks to serve as a transient stability analysis tool, highlighting possible pathways to further develop this method.

  • 3 authors
·
Mar 14, 2023

Hierarchical Sensor-Spoofing Defence Framework for Networked DC Microgrids via Cyber-Physical Coordination

In parallel to the cyber attack that manipulates the reference points of distributed energy resources (DERs) by maliciously accessing the remote monitoring and control system, the vulnerability of voltage/current sensors to electromagnetic interference (EMI) in the physical domain has been widely discussed. Existing research efforts against sensor spoofing attacks can be classified into physical prevention and cyber detection/mitigation. These defence methods each have strengths and weaknesses in balancing cost, security, and performance in a single DER, yet systematic research on their multi-layer efficient coordination across DERs remains limited. Towards this end, this paper proposes a hierarchical framework to detect and mitigate sensor spoofing attacks in networked microgrids (NMGs) via {multi-layer cyber-physical coordination}. It requires only to deploy physical prevention technologies at critical points, i.e., the local points of common coupling (PCC) of MGs, such that cyber detection/mitigation algorithms can be adopted based on the secured sensor readings to counter sensor spoofing attacks in DERs. The framework employs an MG-DER coordinated proactive detection scheme to strategically trigger parameter perturbations, under which the intelligent sensor spoofing attacks can be {effectively} disclosed. Afterwards, mitigation schemes based on MG-DER coordination are activated to recursively and accurately estimate sensor biases. Experiments on a cyber-physical DC NMG testbed confirm the framework's effectiveness across diverse attack scenarios.

  • 4 authors
·
Aug 12

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

When Network Architecture Meets Physics: Deep Operator Learning for Coupled Multiphysics

Scientific applications increasingly demand real-time surrogate models that can capture the behavior of strongly coupled multiphysics systems driven by multiple input functions, such as in thermo-mechanical and electro-thermal processes. While neural operator frameworks, such as Deep Operator Networks (DeepONets), have shown considerable success in single-physics settings, their extension to multiphysics problems remains poorly understood. In particular, the challenge of learning nonlinear interactions between tightly coupled physical fields has received little systematic attention. This study addresses a foundational question: should the architectural design of a neural operator reflect the strength of physical coupling it aims to model? To answer this, we present the first comprehensive, architecture-aware evaluation of DeepONet variants across three regimes: single-physics, weakly coupled, and strongly coupled multiphysics systems. We consider a reaction-diffusion equation with dual spatial inputs, a nonlinear thermo-electrical problem with bidirectional coupling through temperature-dependent conductivity, and a viscoplastic thermo-mechanical model of steel solidification governed by transient phase-driven interactions. Two operator-learning frameworks, the classical DeepONet and its sequential GRU-based extension, S-DeepONet, are benchmarked using both single-branch and multi-branch (MIONet-style) architectures. Our results demonstrate that architectural alignment with physical coupling is crucial: single-branch networks significantly outperform multi-branch counterparts in strongly coupled settings, whereas multi-branch encodings offer advantages for decoupled or single-physics problems. Once trained, these surrogates achieve full-field predictions up to 1.8e4 times faster than high-fidelity finite-element solvers, without compromising solution accuracy.

  • 6 authors
·
Jul 3, 2025

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

Transition from decaying to decayless kink oscillations of solar coronal loops

The transition of an impulsively excited kink oscillation of a solar coronal loop to an oscillation with a stationary amplitude, i.e., the damping pattern, is determined using the low-dimensional self-oscillation model. In the model, the decayless kink oscillations are sustained by the interaction of the oscillating loop with an external quasi-steady flow. The analytical solution is based on the assumption that the combined effect of the effective dissipation, for example, by resonant absorption, and interaction with an external flow, is weak. The effect is characterised by a dimensionless coupling parameter. The damping pattern is found to depend upon the initial amplitude and the coupling parameter. The approximate expression shows a good agreement with a numerical solution of the self-oscillation equation. The plausibility of the established damping pattern is demonstrated by an observational example. Notably, the damping pattern is not exponential, and the characteristic decay time is different from the time determined by the traditionally used exponential damping fit. Implications of this finding for seismology of the solar coronal plasmas are discussed. In particular, it is suggested that a very rapid, in less than the oscillation period, decay of the oscillation to the stationary level, achieved for larger values of the coupling parameter, can explain the relative rareness of the kink oscillation events.

  • 3 authors
·
Jun 10, 2024

An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar, which produce intermittent power, storage is needed to transfer power from times of peak generation to peak demand. This may require the storage of power for hours, days, or months. One solution that offers the potential of scaling to nation-sized grids is the conversion of renewable energy to other fuels, such as hydrogen or methane. To be widely adopted, this process requires cost-effective solutions to running electrochemical reactions. An open challenge is finding low-cost electrocatalysts to drive these reactions at high rates. Through the use of quantum mechanical simulations (density functional theory), new catalyst structures can be tested and evaluated. Unfortunately, the high computational cost of these simulations limits the number of structures that may be tested. The use of machine learning may provide a method to efficiently approximate these calculations, leading to new approaches in finding effective electrocatalysts. In this paper, we provide an introduction to the challenges in finding suitable electrocatalysts, how machine learning may be applied to the problem, and the use of the Open Catalyst Project OC20 dataset for model training.

  • 17 authors
·
Oct 14, 2020

LSTM-PINN for Steady-State Electrothermal Transport: Preserving Multi-Field Consis tency in Strongly Coupled Heat and Fluid Flow

Steady-state electrothermal systems involve strongly coupled heat transfer, fluid flow, and electric-potential transport, creating severe numerical challenges for standard physics-informed neural networks (PINNs) due to stark disparities in gradient scales and residual stiffnesses across the physical fields. To resolve these multiphysics bottlenecks, we introduce a Long Short-Term Memory PINN (LSTM-PINN) framework that utilizes a depth-recursive memory mechanism to preserve long-range spatial feature dependencies and maintain strict cross-field consistency. The proposed architecture is rigorously evaluated against conventional and attention-based networks across a unified five-field formulation encompassing four complex convective and drag regimes: Boussinesq electrothermal flow, drift-potential gauge-constrained transport, strong buoyancy-coupled convection, and Brinkman--Forchheimer drift. Quantitative and visual analyses demonstrate that LSTM-PINN successfully suppresses non-physical artifacts and structural distortions, yielding the highest thermodynamic fidelity and consistently outperforming state-of-the-art baselines in global error metrics. Ultimately, this memory-enhanced approach provides a highly robust and accurate computational baseline for capturing localized boundary layers and complex energy-momentum feedback in advanced electrothermal energy systems.

  • 4 authors
·
Apr 2

Mean Field Theory Based on the Spike Time Response Curve for Synchronization Within and Between Two Alternating Populations of Neural Oscillators with Delays

In order to study oscillators coupled by pulses emitted at discrete times, it is generally assumed that the effect of each pulse is an instantaneous phase shift, with a possible conduction delay between emission and receipt. However, we are interested in neural oscillators in which each pulse (action potential) activates a biexponential synapse, and at high frequencies, the duration of the synaptic conductance may be greater than the network period. Therefore, the effect of received pulses can summate over the course of several cycles. To overcome this limitation, we previously defined a mean field approach for a single synchronous population. Here, we extend it to two alternating synchronous populations by assuming a perturbation of a single oscillator from one of the synchronous populations which is represented by a single self-connected neural oscillator. The train of delayed biexponential synapses emitted by each oscillator is divided into a tonic and a phasic component. Because of the continuous rather than pulsatile nature of the input, we had to drop the concept of oscillator phase and derive self-consistent criteria for the existence and stability of an alternating firing pattern between two synchronous populations based solely on the perturbation of time intervals from their steady state values. Simulations showed that for high frequency oscillations as defined above, the mean field approach predicts the existence and stability of phase-locking between two synchronous populations better than the instantaneous phase shift approach. This approach may generalize to other forms of coupling amongst non-neural oscillators.

  • 2 authors
·
Oct 6

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

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
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Apr 26, 2023

Complete Synchronization and its Transition in Higher Harmonic Sakaguchi--Kuramoto Oscillators

In heterogeneous networks of coupled oscillators, phase frustration typically prevents the emergence of synchronization in the Sakaguchi--Kuramoto (SK) model. In this study, we propose an analytical framework to overcome this barrier and induce complete synchronization at a specified small coupling value in oscillators governed by phase-frustrated bi-harmonic coupling. We derive an optimal set of natural frequencies that is robust against added noise and correlated with the network degree heterogeneity, along with the parameters involved in the bi-harmonic coupling function that lead to complete synchronization (r = 1). In addition, we find complete synchronization transitions accompanied by hysteresis in scale-free networks, indicating a first-order (discontinuous) phase transition, whereas Erdős--Rényi networks exhibit complete synchronization through a second-order (continuous) phase transition. Furthermore, we use the mean-field approximation in the presence of optimal frequencies to determine the critical coupling strength associated with the synchronization transition in the pure second-harmonic Sakaguchi--Kuramoto model. Here, the obtained optimal natural frequencies scale linearly with the node degree, and the critical coupling strength for the onset of synchronization is derived analytically from the self-consistent equations. In this specific regime, we observe a perfectly ordered two-cluster synchronized state. These findings remain robust for higher-order harmonic coupling schemes, as well as across a diverse range of synthetic and empirical networks, including scale-free, Erdős--Rényi, Zachary Karate Club, and the C.~elegans neural network, demonstrating their general applicability.

  • 5 authors
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May 20

Energy-barrier characterization of secured basins in coupled oscillators with inertia

The second-order Kuramoto model captures rotor dynamics relevant to synchronization in power grids. In actual power grids, violation of angle-stability limits can trigger protective actions that are not included in the model, restricting its validity to trajectories that remain within these limits. We therefore define the secured basin as the region of disturbance space comprising disturbances whose trajectories remain within the angle-stability limits throughout the transient. We then characterize the secured basin through energy barriers, quantifying their characteristic energy scale and heterogeneity across perturbation directions. Across seven power-grid models, this characterization revealed angle-stability vulnerabilities overlooked when stability is assessed solely by the final synchronization state. It also showed that the two energy-barrier measures characterizing the secured basin exhibit distinct associations with structural connectivity and dynamical parameters. This characterization further offers practical advantages, as energy thresholds derived from state-space perturbations remain effective in distinguishing secured and unsecured outcomes under short-duration power disturbances and can be estimated efficiently by concentrating simulations near the secured-basin boundary. Overall, the secured-basin framework provides a useful basis for distinguishing node-level structural and dynamical influences on transient stability in oscillator networks with synchronization constraints.

  • 6 authors
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Oct 7

SPDNet: Seasonal-Periodic Decomposition Network for Advanced Residential Demand Forecasting

Residential electricity demand forecasting is critical for efficient energy management and grid stability. Accurate predictions enable utility companies to optimize planning and operations. However, real-world residential electricity demand data often exhibit intricate temporal variability, including multiple seasonalities, periodicities, and abrupt fluctuations, which pose significant challenges for forecasting models. Previous models that rely on statistical methods, recurrent, convolutional neural networks, and transformers often struggle to capture these intricate temporal dynamics. To address these challenges, we propose the Seasonal-Periodic Decomposition Network (SPDNet), a novel deep learning framework consisting of two main modules. The first is the Seasonal-Trend Decomposition Module (STDM), which decomposes the input data into trend, seasonal, and residual components. The second is the Periodical Decomposition Module (PDM), which employs the Fast Fourier Transform to identify the dominant periods. For each dominant period, 1D input data is reshaped into a 2D tensor, where rows represent periods and columns correspond to frequencies. The 2D representations are then processed through three submodules: a 1D convolution to capture sharp fluctuations, a transformer-based encoder to model global patterns, and a 2D convolution to capture interactions between periods. Extensive experiments conducted on real-world residential electricity load data demonstrate that SPDNet outperforms traditional and advanced models in both forecasting accuracy and computational efficiency. The code is available in this repository: https://github.com/Tims2D/SPDNet.

  • 3 authors
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Mar 27, 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
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Jan 25

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
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Jan 24, 2025

Shielded Controller Units for RL with Operational Constraints Applied to Remote Microgrids

Reinforcement learning (RL) is a powerful framework for optimizing decision-making in complex systems under uncertainty, an essential challenge in real-world settings, particularly in the context of the energy transition. A representative example is remote microgrids that supply power to communities disconnected from the main grid. Enabling the energy transition in such systems requires coordinated control of renewable sources like wind turbines, alongside fuel generators and batteries, to meet demand while minimizing fuel consumption and battery degradation under exogenous and intermittent load and wind conditions. These systems must often conform to extensive regulations and complex operational constraints. To ensure that RL agents respect these constraints, it is crucial to provide interpretable guarantees. In this paper, we introduce Shielded Controller Units (SCUs), a systematic and interpretable approach that leverages prior knowledge of system dynamics to ensure constraint satisfaction. Our shield synthesis methodology, designed for real-world deployment, decomposes the environment into a hierarchical structure where each SCU explicitly manages a subset of constraints. We demonstrate the effectiveness of SCUs on a remote microgrid optimization task with strict operational requirements. The RL agent, equipped with SCUs, achieves a 24% reduction in fuel consumption without increasing battery degradation, outperforming other baselines while satisfying all constraints. We hope SCUs contribute to the safe application of RL to the many decision-making challenges linked to the energy transition.

  • 5 authors
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Nov 30, 2025

Trajectory Sensitivity-Based Dynamic Assessment of an AI Data Center Under Contingencies

Artificial Intelligence (AI) data centers are emerging as converter-dominated, parameter-rich electrical systems whose dynamic response depends on fast workload-driven demand variations, tightly regulated data-hall converters, and coordinated on-site sources. Assessing such systems by repeatedly solving nonlinear time-domain models for every outage, load realization, and parameter perturbation is computationally expensive and provides limited insight into response sensitivity. This paper presents a trajectory sensitivity (TS)-based dynamic assessment framework for a self-contained AI data center supplied by a 2 kV DC microgrid with a grid-tied interface. The model includes time-varying data-hall load profiles, a voltage source converter (VSC), battery energy storage systems (BESS) units, supercapacitors, and synchronous-generation-side sources. For each disturbance, firstly, TS are computed along the nonlinear disturbance trajectory, capturing the local effect of source trips, data-hall outages, converter controls, and load ramps. Later, the computed TS data is used to estimate system trajectories under simultaneous parameter perturbations. Validation against full nonlinear ODE simulations with pm 15% perturbations shows close agreement. In addition, the TS-based approach reduces computational time of dynamic-response evaluations from seconds to milliseconds, demonstrating its potential as a scalable screening tool for AI data center dynamics.

  • 4 authors
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Oct 6