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 Energy


An Open-Access Benchmark of Statistical and Machine-Learning Anomaly Detection Methods for Battery Applications

arXiv.org Artificial Intelligence

Battery safety is critical in applications ranging from consumer electronics to electric vehicles and aircraft, where undetected anomalies could trigger safety hazards or costly downtime. In this study, we present OSBAD as an open-source benchmark for anomaly detection frameworks in battery applications. By benchmarking 15 diverse algorithms encompassing statistical, distance-based, and unsupervised machine-learning methods, OSBAD enables a systematic comparison of anomaly detection methods across heterogeneous datasets. In addition, we demonstrate how a physics- and statistics-informed feature transformation workflow enhances anomaly separability by decomposing collective anomalies into point anomalies. To address a major bottleneck in unsupervised anomaly detection due to incomplete labels, we propose a Bayesian optimization pipeline that facilitates automated hyperparameter tuning based on transfer-learning and regression proxies. Through validation on datasets covering both liquid and solid-state chemistries, we further demonstrate the cross-chemistry generalization capability of OSBAD to identify irregularities across different electrochemical systems. By making benchmarking database with open-source reproducible anomaly detection workflows available to the community, OSBAD establishes a unified foundation for developing safe, scalable, and transferable anomaly detection tools in battery analytics. This research underscores the significance of physics- and statistics-informed feature engineering as well as model selection with probabilistic hyperparameter tuning, in advancing trustworthy, data-driven diagnostics for safety-critical energy systems.


Efficient Tool-Calling Multi-Expert NPC Agent for Commonsense Persona-Grounded Dialogue

arXiv.org Artificial Intelligence

We present a multi-expert system for creating Non-Player Characters (NPCs) capable of both natural dialogue and contextual action execution in interactive environments. Our approach leverages Qwen3 as the base model with specialized Low-Rank Adaptation (LoRA) adapters to create three distinct expert modules: tool calling, tool response interpretation, and direct dialogue. The system not only meets but exceeds the computational constraints, delivering responses in an average of 3 seconds (well under the 7-second limit) on L40S GPUs while utilizing less than 30GB of the available 48GB VRAM, demonstrating efficiency alongside performance. This computational efficiency also contributes to reduced energy consumption and lower carbon footprint compared to less optimized approaches. The proposed solution achieved top performance in the Commonsense Persona-Grounded Dialogue Challenge 2025, securing the second position in the competition.


Spin-Adapted Neural Network Wavefunctions in Real Space

arXiv.org Artificial Intelligence

Spin plays a fundamental role in understanding electronic structure, yet many real-space wavefunction methods fail to adequately consider it. We introduce the Spin-Adapted Antisymmetrization Method (SAAM), a general procedure that enforces exact total spin symmetry for antisymmetric many-electron wavefunctions in real space. In the context of neural network-based quantum Monte Carlo (NNQMC), SAAM leverages the expressiveness of deep neural networks to capture electron correlation while enforcing exact spin adaptation via group representation theory. This framework provides a principled route to embed physical priors into otherwise black-box neural network wavefunctions, yielding a compact representation of correlated system with neural network orbitals. Compared with existing treatments of spin in NNQMC, SAAM is more accurate and efficient, achieving exact spin purity without any additional tunable hyperparameters. To demonstrate its effectiveness, we apply SAAM to study the spin ladder of iron-sulfur clusters, a long-standing challenge for many-body methods due to their dense spectrum of nearly degenerate spin states. Our results reveal accurate resolution of low-lying spin states and spin gaps in [Fe$_2$S$_2$] and [Fe$_4$S$_4$] clusters, offering new insights into their electronic structures. In sum, these findings establish SAAM as a robust, hyperparameter-free standard for spin-adapted NNQMC, particularly for strongly correlated systems.


A Graph-based RAG for Energy Efficiency Question Answering

arXiv.org Artificial Intelligence

In this work, we investigate the use of Large Language Models (LLMs) within a graph-based Retrieval Augmented Generation (RAG) architecture for Energy Efficiency (EE) Question Answering. First, the system automatically extracts a Knowledge Graph (KG) from guidance and regulatory documents in the energy field. Then, the generated graph is navigated and reasoned upon to provide users with accurate answers in multiple languages. We implement a human-based validation using the RAGAs framework properties, a validation dataset comprising 101 question-answer pairs, and domain experts. Results confirm the potential of this architecture and identify its strengths and weaknesses. Validation results show how the system correctly answers in about three out of four of the cases (75.2 +- 2.7%), with higher results on questions related to more general EE answers (up to 81.0 +- 4.1%), and featuring promising multilingual abilities (4.4% accuracy loss due to translation).


MARS: Multi-Agent Robotic System with Multimodal Large Language Models for Assistive Intelligence

arXiv.org Artificial Intelligence

Multimodal large language models (MLLMs) have shown remarkable capabilities in cross-modal understanding and reasoning, offering new opportunities for intelligent assistive systems, yet existing systems still struggle with risk-aware planning, user personalization, and grounding language plans into executable skills in cluttered homes. We introduce MARS - a Multi-Agent Robotic System powered by MLLMs for assistive intelligence and designed for smart home robots supporting people with disabilities. The system integrates four agents: a visual perception agent for extracting semantic and spatial features from environment images, a risk assessment agent for identifying and prioritizing hazards, a planning agent for generating executable action sequences, and an evaluation agent for iterative optimization. By combining multimodal perception with hierarchical multi-agent decision-making, the framework enables adaptive, risk-aware, and personalized assistance in dynamic indoor environments. Experiments on multiple datasets demonstrate the superior overall performance of the proposed system in risk-aware planning and coordinated multi-agent execution compared with state-of-the-art multimodal models. The proposed approach also highlights the potential of collaborative AI for practical assistive scenarios and provides a generalizable methodology for deploying MLLM-enabled multi-agent systems in real-world environments.


Defining Energy Indicators for Impact Identification on Aerospace Composites: A Physics-Informed Machine Learning Perspective

arXiv.org Artificial Intelligence

Energy estimation is critical to impact identification on aerospace composites, where low-velocity impacts can induce internal damage that is undetectable at the surface. Current methodologies for energy prediction are often constrained by data sparsity, signal noise, complex feature interdependencies, non-linear dynamics, massive design spaces, and the ill-posed nature of the inverse problem. This study introduces a physics-informed framework that embeds domain knowledge into machine learning through a dedicated input space. The approach combines observational biases, which guide the design of physics-motivated features, with targeted feature selection to retain only the most informative indicators. Features are extracted from time, frequency, and time-frequency domains to capture complementary aspects of the structural response. A structured feature selection process integrating statistical significance, correlation filtering, dimensionality reduction, and noise robustness ensures physical relevance and interpretability. Exploratory data analysis further reveals domain-specific trends, yielding a reduced feature set that captures essential dynamic phenomena such as amplitude scaling, spectral redistribution, and transient signal behaviour. Together, these steps produce a compact set of energy-sensitive indicators with both statistical robustness and physical significance, resulting in impact energy predictions that remain interpretable and traceable to measurable structural responses. Using this optimised input space, a fully-connected neural network is trained and validated with experimental data from multiple impact scenarios, including pristine and damaged states. The resulting model demonstrates significantly improved impact energy prediction accuracy, reducing errors by a factor of three compared to conventional time-series techniques and purely data-driven models.


DAMBench: A Multi-Modal Benchmark for Deep Learning-based Atmospheric Data Assimilation

arXiv.org Artificial Intelligence

Data Assimilation is a cornerstone of atmospheric system modeling, tasked with reconstructing system states by integrating sparse, noisy observations with prior estimation. While traditional approaches like variational and ensemble Kalman filtering have proven effective, recent advances in deep learning offer more scalable, efficient, and flexible alternatives better suited for complex, real-world data assimilation involving large-scale and multi-modal observations. However, existing deep learning-based DA research suffers from two critical limitations: (1) reliance on oversimplified scenarios with synthetically perturbed observations, and (2) the absence of standardized benchmarks for fair model comparison. To address these gaps, in this work, we introduce DAMBench, the first large-scale multi-modal benchmark designed to evaluate data-driven DA models under realistic atmospheric conditions. DAMBench integrates high-quality background states from state-of-the-art forecasting systems and real-world multi-modal observations (i.e., real-world weather stations and satellite imagery). All data are resampled to a common grid and temporally aligned to support systematic training, validation, and testing. We provide unified evaluation protocols and benchmark representative data assimilation approaches, including latent generative models and neural process frameworks. Additionally, we propose a lightweight multi-modal plugin to demonstrate how integrating realistic observations can enhance even simple baselines. Through comprehensive experiments, DAMBench establishes a rigorous foundation for future research, promoting reproducibility, fair comparison, and extensibility to real-world multi-modal scenarios. Our dataset and code are publicly available at https://github.com/figerhaowang/DAMBench.


Split-Flows: Measure Transport and Information Loss Across Molecular Resolutions

arXiv.org Artificial Intelligence

By reducing resolution, coarse-grained models greatly accelerate molecular simulations, unlocking access to long-timescale phenomena, though at the expense of microscopic information. Recovering this fine-grained detail is essential for tasks that depend on atomistic accuracy, making backmapping a central challenge in molecular modeling. We introduce split-flows, a novel flow-based approach that reinterprets backmapping as a continuous-time measure transport across resolutions. Unlike existing generative strategies, split-flows establish a direct probabilistic link between resolutions, enabling expressive conditional sampling of atomistic structures and -- for the first time -- a tractable route to computing mapping entropies, an information-theoretic measure of the irreducible detail lost in coarse-graining. We demonstrate these capabilities on diverse molecular systems, including chignolin, a lipid bilayer, and alanine dipeptide, highlighting split-flows as a principled framework for accurate backmapping and systematic evaluation of coarse-grained models.


Closed-loop Control of Steerable Balloon Endoscopes for Robot-assisted Transcatheter Intracardiac Procedures

arXiv.org Artificial Intelligence

To move away from open-heart surgery towards safer transcatheter procedures, there is a growing need for improved imaging techniques and robotic solutions to enable simple, accurate tool navigation. Common imaging modalities, such as fluoroscopy and ultrasound, have limitations that can be overcome using cardioscopy, i.e., direct optical visualization inside the beating heart. We present a cardioscope designed as a steerable balloon. As a balloon, it can be collapsed to pass through the vasculature and subsequently inflated inside the heart for visualization and tool delivery through an integrated working channel. Through careful design of balloon wall thickness, a single input, balloon inflation pressure, is used to independently control two outputs, balloon diameter (corresponding to field of view diameter) and balloon bending angle (enabling precise working channel positioning). This balloon technology can be tuned to produce cardioscopes designed for a range of intracardiac tasks. To illustrate this approach, a balloon design is presented for the specific task of aortic leaflet laceration. Image-based closed-loop control of bending angle is also demonstrated as a means of enabling stable orientation control during tool insertion and removal.


Generative Machine Learning Models for the Deconvolution of Charge Carrier Dynamics in Organic Photovoltaic Cells

arXiv.org Artificial Intelligence

Charge carrier dynamics critically affect the efficiency and stability of organic photovoltaic devices, but they are challenging to model with traditional analytical methods. We introduce β - Linearly Decoded Latent Ordinary Differential Equations ( β - LLODE), a machine learning framework that disentangles and reconstructs extraction dynamics from time - resolved charge extraction measurements of P3HT:PCBM cells. This model enables the isolated analysis of the underlying charge carrier behaviour, which was found to be well described by a compressed exponential decay. Furthermore, the learnt interpretable latent space enables simulation, including both interpolation and extrapolation of experimental measurement conditions, offering a predictive tool for solar cell research to support device study and optimisation. Introduction A detailed understanding of charge carrier dynamics in organic photovoltaic (OPV) devices is critical to optimising for power conversion efficiency and long - term stability, but remains difficult to model due to complex, incompletely understood processes [1 ].