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Autonomous Electrochemistry Platform with Real-Time Normality Testing of Voltammetry Measurements Using ML

arXiv.org Artificial Intelligence

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem's wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.


SafePowerGraph-LLM: Novel Power Grid Graph Embedding and Optimization with Large Language Models

arXiv.org Artificial Intelligence

Efficiently solving Optimal Power Flow (OPF) problems in power systems is crucial for operational planning and grid management. There is a growing need for scalable algorithms capable of handling the increasing variability, constraints, and uncertainties in modern power networks while providing accurate and fast solutions. To address this, machine learning techniques, particularly Graph Neural Networks (GNNs) have emerged as promising approaches. This letter introduces SafePowerGraph-LLM, the first framework explicitly designed for solving OPF problems using Large Language Models (LLM)s. The proposed approach combines graph and tabular representations of power grids to effectively query LLMs, capturing the complex relationships and constraints in power systems. A new implementation of in-context learning and fine-tuning protocols for LLMs is introduced, tailored specifically for the OPF problem. SafePowerGraph-LLM demonstrates reliable performances using off-the-shelf LLM. Our study reveals the impact of LLM architecture, size, and fine-tuning and demonstrates our framework's ability to handle realistic grid components and constraints.


An Investigation into Seasonal Variations in Energy Forecasting for Student Residences

arXiv.org Artificial Intelligence

This research provides an in-depth evaluation of various machine learning models for energy forecasting, focusing on the unique challenges of seasonal variations in student residential settings. The study assesses the performance of baseline models, such as LSTM and GRU, alongside state-of-the-art forecasting methods, including Autoregressive Feedforward Neural Networks, Transformers, and hybrid approaches. Special attention is given to predicting energy consumption amidst challenges like seasonal patterns, vacations, meteorological changes, and irregular human activities that cause sudden fluctuations in usage. The findings reveal that no single model consistently outperforms others across all seasons, emphasizing the need for season-specific model selection or tailored designs. Notably, the proposed Hyper Network based LSTM and MiniAutoEncXGBoost models exhibit strong adaptability to seasonal variations, effectively capturing abrupt changes in energy consumption during summer months. This study advances the energy forecasting field by emphasizing the critical role of seasonal dynamics and model-specific behavior in achieving accurate predictions.


Bridging Smart Meter Gaps: A Benchmark of Statistical, Machine Learning and Time Series Foundation Models for Data Imputation

arXiv.org Artificial Intelligence

The integrity of time series data in smart grids is often compromised by missing values due to sensor failures, transmission errors, or disruptions. Gaps in smart meter data can bias consumption analyses and hinder reliable predictions, causing technical and economic inefficiencies. As smart meter data grows in volume and complexity, conventional techniques struggle with its nonlinear and nonstationary patterns. In this context, Generative Artificial Intelligence offers promising solutions that may outperform traditional statistical methods. In this paper, we evaluate two general-purpose Large Language Models and five Time Series Foundation Models for smart meter data imputation, comparing them with conventional Machine Learning and statistical models. We introduce artificial gaps (30 minutes to one day) into an anonymized public dataset to test inference capabilities. Results show that Time Series Foundation Models, with their contextual understanding and pattern recognition, could significantly enhance imputation accuracy in certain cases. However, the trade-off between computational cost and performance gains remains a critical consideration.


Improving Incremental Nonlinear Dynamic Inversion Robustness Using Robust Control in Aerial Robotics

arXiv.org Artificial Intelligence

Improving robustness to uncertainty and rejection of external disturbances represents a significant challenge in aerial robotics. Nonlinear controllers based on Incremental Nonlinear Dynamic Inversion (INDI), known for their ability in estimating disturbances through measured-filtered data, have been notably used in such applications. Typically, these controllers comprise two cascaded loops: an inner loop employing nonlinear dynamic inversion and an outer loop generating the virtual control inputs via linear controllers. In this paper, a novel methodology is introduced, that combines the advantages of INDI with the robustness of linear structured $\mathcal{H}_\infty$ controllers. A full cascaded architecture is proposed to control the dynamics of a multirotor drone, covering both stabilization and guidance. In particular, low-order $\mathcal{H}_\infty$ controllers are designed for the outer loop by properly structuring the problem and solving it through non-smooth optimization. A comparative analysis is conducted between an existing INDI/PD approach and the proposed INDI/$\mathcal{H}_\infty$ strategy, showing a notable enhancement in the rejection of external disturbances. It is carried out first using MATLAB simulations involving a nonlinear model of a Parrot Bebop quadcopter drone, and then experimentally using a customized quadcopter built by the ENAC team. The results show an improvement of more than 50\% in the rejection of disturbances such as gusts.


Pre-Trained Large Language Model Based Remaining Useful Life Transfer Prediction of Bearing

arXiv.org Artificial Intelligence

Accurately predicting the remaining useful life (RUL) of rotating machinery, such as bearings, is crucial for equipment reliability and minimizing unexpected failures in industrial systems. Despite recent advancements, data-driven deep learning methods face challenges in practical industrial settings due to inconsistent data distributions between training and testing phases, and limited generalization capabilities for long-term RUL predictions. To address these issues, we propose LM4RUL, a framework for RUL prediction based on pre-trained Large language Model (LLM). LM4RUL leverages the generalization and reasoning capabilities of LLM to transfer predictive knowledge from pre-training, effectively overcoming data inconsistencies and enhancing prediction accuracy. This represents a meaningful advancement in the artificial intelligence field, being among the first efforts to successfully apply LLM to RUL prediction tasks without the need for additional manual instruction, thereby extending the boundaries of AI applications beyond natural language processing and into complex industrial scenarios. The framework includes the local scale perception representation component, which captures fine-grained bearing degradation trends by tokenizing vibration data, and hybrid embedding learning, which selectively freezes and fine-tunes parameters to model complex nonlinear degradation.


AlphaNet: Scaling Up Local Frame-based Atomistic Foundation Model

arXiv.org Artificial Intelligence

We present AlphaNet, a local frame-based equivariant model designed to achieve both accurate and efficient simulations for atomistic systems. Recently, machine learning force fields (MLFFs) have gained prominence in molecular dynamics simulations due to their advantageous efficiency-accuracy balance compared to classical force fields and quantum mechanical calculations, alongside their transferability across various systems. Despite the advancements in improving model accuracy, the efficiency and scalability of MLFFs remain significant obstacles in practical applications. AlphaNet enhances computational efficiency and accuracy by leveraging the local geometric structures of atomic environments through the construction of equivariant local frames and learnable frame transitions. We substantiate the efficacy of AlphaNet across diverse datasets, including defected graphene, formate decomposition, zeolites, and surface reactions. AlphaNet consistently surpasses well-established models, such as NequIP and DeepPot, in terms of both energy and force prediction accuracy. Notably, AlphaNet offers one of the best trade-offs between computational efficiency and accuracy among existing models. Moreover, AlphaNet exhibits scalability across a broad spectrum of system and dataset sizes, affirming its versatility.


AdaPRL: Adaptive Pairwise Regression Learning with Uncertainty Estimation for Universal Regression Tasks

arXiv.org Artificial Intelligence

Current deep regression models usually learn in point-wise way that treat each sample as an independent input, neglecting the relative ordering among different data. Consequently, the regression model could neglect the data 's interrelationships, potentially resulting in suboptimal performance. Moreover, the existence of aleatoric uncertainty in the training data may drive the model to capture non-generalizable patterns, contributing to increased overfitting. To address these issues, we propose a novel adaptive pairwise learning framework (AdaPRL) for regression tasks which leverages the relative differences between data points and integrates with deep probabilistic models to quantify the uncertainty associated with the predictions. Additionally, we adapt AdaPRL for applications in multi-task learning and multivariate time series forecasting. Extensive experiments with several real-world regression datasets including recommendation systems, age estimation, time series forecasting, natural language understanding, finance, and industry datasets show that AdaPRL is compatible with different backbone networks in various tasks and achieves state-of-the-art performance on the vast majority of tasks, highlighting its notable potential including enhancing prediction accuracy and ranking ability, increasing generalization capability, improving robustness to noisy data, improving resilience to reduced data, and enhancing interpretability, etc.


Energy-Efficient Split Learning for Fine-Tuning Large Language Models in Edge Networks

arXiv.org Artificial Intelligence

In this letter, we propose an energy-efficient split learning (SL) framework for fine-tuning large language models (LLMs) using geo-distributed personal data at the network edge, where LLMs are split and alternately across massive mobile devices and an edge server. Considering the device heterogeneity and channel dynamics in edge networks, a \underline{C}ut l\underline{A}yer and computing \underline{R}esource \underline{D}ecision (CARD) algorithm is developed to minimize training delay and energy consumption. Simulation results demonstrate that the proposed approach reduces the average training delay and server's energy consumption by 70.8% and 53.1%, compared to the benchmarks, respectively.


Context Matters: Leveraging Contextual Features for Time Series Forecasting

arXiv.org Artificial Intelligence

Time series forecasts are often influenced by exogenous contextual features in addition to their corresponding history. For example, in financial settings, it is hard to accurately predict a stock price without considering public sentiments and policy decisions in the form of news articles, tweets, etc. Though this is common knowledge, the current state-of-the-art (SOTA) forecasting models fail to incorporate such contextual information, owing to its heterogeneity and multimodal nature. To address this, we introduce ContextFormer, a novel plug-and-play method to surgically integrate multimodal contextual information into existing pre-trained forecasting models. ContextFormer effectively distills forecast-specific information from rich multimodal contexts, including categorical, continuous, time-varying, and even textual information, to significantly enhance the performance of existing base forecasters. ContextFormer outperforms SOTA forecasting models by up to 30% on a range of real-world datasets spanning energy, traffic, environmental, and financial domains.