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Jan 29

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

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

Identifying Climate Targets in National Laws and Policies using Machine Learning

Quantified policy targets are a fundamental element of climate policy, typically characterised by domain-specific and technical language. Current methods for curating comprehensive views of global climate policy targets entail significant manual effort. At present there are few scalable methods for extracting climate targets from national laws or policies, which limits policymakers' and researchers' ability to (1) assess private and public sector alignment with global goals and (2) inform policy decisions. In this paper we present an approach for extracting mentions of climate targets from national laws and policies. We create an expert-annotated dataset identifying three categories of target ('Net Zero', 'Reduction' and 'Other' (e.g. renewable energy targets)) and train a classifier to reliably identify them in text. We investigate bias and equity impacts related to our model and identify specific years and country names as problematic features. Finally, we investigate the characteristics of the dataset produced by running this classifier on the Climate Policy Radar (CPR) dataset of global national climate laws and policies and UNFCCC submissions, highlighting the potential of automated and scalable data collection for existing climate policy databases and supporting further research. Our work represents a significant upgrade in the accessibility of these key climate policy elements for policymakers and researchers. We publish our model at https://huggingface.co/ClimatePolicyRadar/national-climate-targets and related dataset at https://huggingface.co/datasets/ClimatePolicyRadar/national-climate-targets.

  • 7 authors
·
Apr 3, 2024

ClimateGPT: Towards AI Synthesizing Interdisciplinary Research on Climate Change

This paper introduces ClimateGPT, a model family of domain-specific large language models that synthesize interdisciplinary research on climate change. We trained two 7B models from scratch on a science-oriented dataset of 300B tokens. For the first model, the 4.2B domain-specific tokens were included during pre-training and the second was adapted to the climate domain after pre-training. Additionally, ClimateGPT-7B, 13B and 70B are continuously pre-trained from Llama~2 on a domain-specific dataset of 4.2B tokens. Each model is instruction fine-tuned on a high-quality and human-generated domain-specific dataset that has been created in close cooperation with climate scientists. To reduce the number of hallucinations, we optimize the model for retrieval augmentation and propose a hierarchical retrieval strategy. To increase the accessibility of our model to non-English speakers, we propose to make use of cascaded machine translation and show that this approach can perform comparably to natively multilingual models while being easier to scale to a large number of languages. Further, to address the intrinsic interdisciplinary aspect of climate change we consider different research perspectives. Therefore, the model can produce in-depth answers focusing on different perspectives in addition to an overall answer. We propose a suite of automatic climate-specific benchmarks to evaluate LLMs. On these benchmarks, ClimateGPT-7B performs on par with the ten times larger Llama-2-70B Chat model while not degrading results on general domain benchmarks. Our human evaluation confirms the trends we saw in our benchmarks. All models were trained and evaluated using renewable energy and are released publicly.

  • 26 authors
·
Jan 17, 2024 4

Air Quality and Greenhouse Gas Emissions Assessment of Data Centers in Texas: Quantifying Impacts and Environmental Tradeoffs

This study assesses air quality (AQ) and greenhouse gas (GHG) emissions from the rapid expansion of data centers in Texas, a major hub due to infrastructure, electricity markets, and business conditions. AQ impacts were separated from GHG emissions to clarify sources, regulations, and mitigation strategies. Electricity consumption and cooling systems dominate GHG emissions, with a 10 megawatt data center generating about 37,668 metric tons CO2 annually, while construction materials and IT equipment add substantial embodied emissions. Local AQ impacts, often overlooked, arise from diesel backup generators, construction equipment, and commuting. Generator testing alone can emit about 12 metric tons of NOx annually per facility, worsening ozone issues in regions such as Houston and Dallas-Fort Worth. Mitigation strategies include advanced cooling, renewable energy procurement, cleaner backup power (fuel cells, batteries), sustainable construction, and standardized reporting. ERCOT forecasts project 39 to 78 gigawatts of new data center load by 2030, potentially leading to 170 to 205 million metric tons of annual CO2 emissions. Aggressive adoption of renewables and advanced technologies could cut emissions by 50 to 80 percent, avoiding 85 to 165 million metric tons of CO2. The study identifies research and policy gaps, including the need for cumulative air dispersion modeling, AQ-specific regulations, and mandatory efficiency standards. Findings underscore the importance of aligning Texas digital infrastructure growth with environmental and community health protections.

  • 1 authors
·
Sep 25, 2025

DeepSolarEye: Power Loss Prediction and Weakly Supervised Soiling Localization via Fully Convolutional Networks for Solar Panels

The impact of soiling on solar panels is an important and well-studied problem in renewable energy sector. In this paper, we present the first convolutional neural network (CNN) based approach for solar panel soiling and defect analysis. Our approach takes an RGB image of solar panel and environmental factors as inputs to predict power loss, soiling localization, and soiling type. In computer vision, localization is a complex task which typically requires manually labeled training data such as bounding boxes or segmentation masks. Our proposed approach consists of specialized four stages which completely avoids localization ground truth and only needs panel images with power loss labels for training. The region of impact area obtained from the predicted localization masks are classified into soiling types using the webly supervised learning. For improving localization capabilities of CNNs, we introduce a novel bi-directional input-aware fusion (BiDIAF) block that reinforces the input at different levels of CNN to learn input-specific feature maps. Our empirical study shows that BiDIAF improves the power loss prediction accuracy by about 3% and localization accuracy by about 4%. Our end-to-end model yields further improvement of about 24% on localization when learned in a weakly supervised manner. Our approach is generalizable and showed promising results on web crawled solar panel images. Our system has a frame rate of 22 fps (including all steps) on a NVIDIA TitanX GPU. Additionally, we collected first of it's kind dataset for solar panel image analysis consisting 45,000+ images.

  • 5 authors
·
Oct 10, 2017

A Novel Bifurcation Method for Observation Perturbation Attacks on Reinforcement Learning Agents: Load Altering Attacks on a Cyber Physical Power System

Components of cyber physical systems, which affect real-world processes, are often exposed to the internet. Replacing conventional control methods with Deep Reinforcement Learning (DRL) in energy systems is an active area of research, as these systems become increasingly complex with the advent of renewable energy sources and the desire to improve their efficiency. Artificial Neural Networks (ANN) are vulnerable to specific perturbations of their inputs or features, called adversarial examples. These perturbations are difficult to detect when properly regularized, but have significant effects on the ANN's output. Because DRL uses ANN to map optimal actions to observations, they are similarly vulnerable to adversarial examples. This work proposes a novel attack technique for continuous control using Group Difference Logits loss with a bifurcation layer. By combining aspects of targeted and untargeted attacks, the attack significantly increases the impact compared to an untargeted attack, with drastically smaller distortions than an optimally targeted attack. We demonstrate the impacts of powerful gradient-based attacks in a realistic smart energy environment, show how the impacts change with different DRL agents and training procedures, and use statistical and time-series analysis to evaluate attacks' stealth. The results show that adversarial attacks can have significant impacts on DRL controllers, and constraining an attack's perturbations makes it difficult to detect. However, certain DRL architectures are far more robust, and robust training methods can further reduce the impact.

  • 3 authors
·
Jul 6, 2024

From Efficiency Gains to Rebound Effects: The Problem of Jevons' Paradox in AI's Polarized Environmental Debate

As the climate crisis deepens, artificial intelligence (AI) has emerged as a contested force: some champion its potential to advance renewable energy, materials discovery, and large-scale emissions monitoring, while others underscore its growing carbon footprint, water consumption, and material resource demands. Much of this debate has concentrated on direct impacts -- energy and water usage in data centers, e-waste from frequent hardware upgrades -- without addressing the significant indirect effects. This paper examines how the problem of Jevons' Paradox applies to AI, whereby efficiency gains may paradoxically spur increased consumption. We argue that understanding these second-order impacts requires an interdisciplinary approach, combining lifecycle assessments with socio-economic analyses. Rebound effects undermine the assumption that improved technical efficiency alone will ensure net reductions in environmental harm. Instead, the trajectory of AI's impact also hinges on business incentives and market logics, governance and policymaking, and broader social and cultural norms. We contend that a narrow focus on direct emissions misrepresents AI's true climate footprint, limiting the scope for meaningful interventions. We conclude with recommendations that address rebound effects and challenge the market-driven imperatives fueling uncontrolled AI growth. By broadening the analysis to include both direct and indirect consequences, we aim to inform a more comprehensive, evidence-based dialogue on AI's role in the climate crisis.

  • 3 authors
·
Jan 27, 2025

C5T5: Controllable Generation of Organic Molecules with Transformers

Methods for designing organic materials with desired properties have high potential impact across fields such as medicine, renewable energy, petrochemical engineering, and agriculture. However, using generative modeling to design substances with desired properties is difficult because candidate compounds must satisfy multiple constraints, including synthetic accessibility and other metrics that are intuitive to domain experts but challenging to quantify. We propose C5T5, a novel self-supervised pretraining method that enables transformers to make zero-shot select-and-replace edits, altering organic substances towards desired property values. C5T5 operates on IUPAC names -- a standardized molecular representation that intuitively encodes rich structural information for organic chemists but that has been largely ignored by the ML community. Our technique requires no edited molecule pairs to train and only a rough estimate of molecular properties, and it has the potential to model long-range dependencies and symmetric molecular structures more easily than graph-based methods. C5T5 also provides a powerful interface to domain experts: it grants users fine-grained control over the generative process by selecting and replacing IUPAC name fragments, which enables experts to leverage their intuitions about structure-activity relationships. We demonstrate C5T5's effectiveness on four physical properties relevant for drug discovery, showing that it learns successful and chemically intuitive strategies for altering molecules towards desired property values.

  • 5 authors
·
Aug 23, 2021

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

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
·
Nov 30, 2025

The Open Catalyst 2020 (OC20) Dataset and Community Challenges

Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuels synthesis, long-term energy storage, and renewable fertilizer production. Despite considerable effort by the catalysis community to apply machine learning models to the computational catalyst discovery process, it remains an open challenge to build models that can generalize across both elemental compositions of surfaces and adsorbate identity/configurations, perhaps because datasets have been smaller in catalysis than related fields. To address this we developed the OC20 dataset, consisting of 1,281,040 Density Functional Theory (DFT) relaxations (~264,890,000 single point evaluations) across a wide swath of materials, surfaces, and adsorbates (nitrogen, carbon, and oxygen chemistries). We supplemented this dataset with randomly perturbed structures, short timescale molecular dynamics, and electronic structure analyses. The dataset comprises three central tasks indicative of day-to-day catalyst modeling and comes with pre-defined train/validation/test splits to facilitate direct comparisons with future model development efforts. We applied three state-of-the-art graph neural network models (CGCNN, SchNet, Dimenet++) to each of these tasks as baseline demonstrations for the community to build on. In almost every task, no upper limit on model size was identified, suggesting that even larger models are likely to improve on initial results. The dataset and baseline models are both provided as open resources, as well as a public leader board to encourage community contributions to solve these important tasks.

  • 17 authors
·
Oct 19, 2020

Exploring the sustainable scaling of AI dilemma: A projective study of corporations' AI environmental impacts

The rapid growth of artificial intelligence (AI), particularly Large Language Models (LLMs), has raised concerns regarding its global environmental impact that extends beyond greenhouse gas emissions to include consideration of hardware fabrication and end-of-life processes. The opacity from major providers hinders companies' abilities to evaluate their AI-related environmental impacts and achieve net-zero targets. In this paper, we propose a methodology to estimate the environmental impact of a company's AI portfolio, providing actionable insights without necessitating extensive AI and Life-Cycle Assessment (LCA) expertise. Results confirm that large generative AI models consume up to 4600x more energy than traditional models. Our modelling approach, which accounts for increased AI usage, hardware computing efficiency, and changes in electricity mix in line with IPCC scenarios, forecasts AI electricity use up to 2030. Under a high adoption scenario, driven by widespread Generative AI and agents adoption associated to increasingly complex models and frameworks, AI electricity use is projected to rise by a factor of 24.4. Mitigating the environmental impact of Generative AI by 2030 requires coordinated efforts across the AI value chain. Isolated measures in hardware efficiency, model efficiency, or grid improvements alone are insufficient. We advocate for standardized environmental assessment frameworks, greater transparency from the all actors of the value chain and the introduction of a "Return on Environment" metric to align AI development with net-zero goals.

  • 6 authors
·
Jan 24, 2025 3

Energy-Constrained Navigation for Planetary Rovers under Hybrid RTG-Solar Power

Future planetary exploration rovers must operate for extended durations on hybrid power inputs that combine steady radioisotope thermoelectric generator (RTG) output with variable solar photovoltaic (PV) availability. While energy-aware planning has been studied for aerial and underwater robots under battery limits, few works for ground rovers explicitly model power flow or enforce instantaneous power constraints. Classical terrain-aware planners emphasize slope or traversability, and trajectory optimization methods typically focus on geometric smoothness and dynamic feasibility, neglecting energy feasibility. We present an energy-constrained trajectory planning framework that explicitly integrates physics-based models of translational, rotational, and resistive power with baseline subsystem loads, under hybrid RTG-solar input. By incorporating both cumulative energy budgets and instantaneous power constraints into SE(2)-based polynomial trajectory optimization, the method ensures trajectories that are simultaneously smooth, dynamically feasible, and power-compliant. Simulation results on lunar-like terrain show that our planner generates trajectories with peak power within 0.55 percent of the prescribed limit, while existing methods exceed limits by over 17 percent. This demonstrates a principled and practical approach to energy-aware autonomy for long-duration planetary missions.

  • 8 authors
·
Sep 18, 2025

Input Convex Lipschitz RNN: A Fast and Robust Approach for Engineering Tasks

Computational efficiency and robustness are essential in process modeling, optimization, and control for real-world engineering applications. While neural network-based approaches have gained significant attention in recent years, conventional neural networks often fail to address these two critical aspects simultaneously or even independently. Inspired by natural physical systems and established literature, input convex architectures are known to enhance computational efficiency in optimization tasks, whereas Lipschitz-constrained architectures improve robustness. However, combining these properties within a single model requires careful review, as inappropriate methods for enforcing one property can undermine the other. To overcome this, we introduce a novel network architecture, termed Input Convex Lipschitz Recurrent Neural Networks (ICLRNNs). This architecture seamlessly integrates the benefits of convexity and Lipschitz continuity, enabling fast and robust neural network-based modeling and optimization. The ICLRNN outperforms existing recurrent units in both computational efficiency and robustness. Additionally, it has been successfully applied to practical engineering scenarios, such as modeling and control of chemical process and the modeling and real-world solar irradiance prediction for solar PV system planning at LHT Holdings in Singapore. Source code is available at https://github.com/killingbear999/ICLRNN.

  • 2 authors
·
Jan 15, 2024

Green Algorithms: Quantifying the carbon footprint of computation

Climate change is profoundly affecting nearly all aspects of life on earth, including human societies, economies and health. Various human activities are responsible for significant greenhouse gas emissions, including data centres and other sources of large-scale computation. Although many important scientific milestones have been achieved thanks to the development of high-performance computing, the resultant environmental impact has been underappreciated. In this paper, we present a methodological framework to estimate the carbon footprint of any computational task in a standardised and reliable way, based on the processing time, type of computing cores, memory available and the efficiency and location of the computing facility. Metrics to interpret and contextualise greenhouse gas emissions are defined, including the equivalent distance travelled by car or plane as well as the number of tree-months necessary for carbon sequestration. We develop a freely available online tool, Green Algorithms (www.green-algorithms.org), which enables a user to estimate and report the carbon footprint of their computation. The Green Algorithms tool easily integrates with computational processes as it requires minimal information and does not interfere with existing code, while also accounting for a broad range of CPUs, GPUs, cloud computing, local servers and desktop computers. Finally, by applying Green Algorithms, we quantify the greenhouse gas emissions of algorithms used for particle physics simulations, weather forecasts and natural language processing. Taken together, this study develops a simple generalisable framework and freely available tool to quantify the carbon footprint of nearly any computation. Combined with a series of recommendations to minimise unnecessary CO2 emissions, we hope to raise awareness and facilitate greener computation.

  • 3 authors
·
Jul 15, 2020

Perovskite-R1: A Domain-Specialized LLM for Intelligent Discovery of Precursor Additives and Experimental Design

Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances, challenges such as long-term stability, environmental sustainability, and scalable manufacturing continue to hinder their commercialization. Precursor additive engineering has shown promise in addressing these issues by enhancing both the performance and durability of PSCs. However, the explosive growth of scientific literature and the complex interplay of materials, processes, and device architectures make it increasingly difficult for researchers to efficiently access, organize, and utilize domain knowledge in this rapidly evolving field. To address this gap, we introduce Perovskite-R1, a specialized large language model (LLM) with advanced reasoning capabilities tailored for the discovery and design of PSC precursor additives. By systematically mining and curating 1,232 high-quality scientific publications and integrating a comprehensive library of 33,269 candidate materials, we constructed a domain-specific instruction-tuning dataset using automated question-answer generation and chain-of-thought reasoning. Fine-tuning the QwQ-32B model on this dataset resulted in Perovskite-R1, which can intelligently synthesize literature insights and generate innovative and practical solutions for defect passivation and the selection of precursor additives. Experimental validation of several model-proposed strategies confirms their effectiveness in improving material stability and performance. Our work demonstrates the potential of domain-adapted LLMs in accelerating materials discovery and provides a closed-loop framework for intelligent, data-driven advancements in perovskite photovoltaic research.

  • 6 authors
·
Jul 22, 2025

Cross-variable Linear Integrated ENhanced Transformer for Photovoltaic power forecasting

Photovoltaic (PV) power forecasting plays a crucial role in optimizing the operation and planning of PV systems, thereby enabling efficient energy management and grid integration. However, un certainties caused by fluctuating weather conditions and complex interactions between different variables pose significant challenges to accurate PV power forecasting. In this study, we propose PV-Client (Cross-variable Linear Integrated ENhanced Transformer for Photovoltaic power forecasting) to address these challenges and enhance PV power forecasting accuracy. PV-Client employs an ENhanced Transformer module to capture complex interactions of various features in PV systems, and utilizes a linear module to learn trend information in PV power. Diverging from conventional time series-based Transformer models that use cross-time Attention to learn dependencies between different time steps, the Enhanced Transformer module integrates cross-variable Attention to capture dependencies between PV power and weather factors. Furthermore, PV-Client streamlines the embedding and position encoding layers by replacing the Decoder module with a projection layer. Experimental results on three real-world PV power datasets affirm PV-Client's state-of-the-art (SOTA) performance in PV power forecasting. Specifically, PV-Client surpasses the second-best model GRU by 5.3% in MSE metrics and 0.9% in accuracy metrics at the Jingang Station. Similarly, PV-Client outperforms the second-best model SVR by 10.1% in MSE metrics and 0.2% in accuracy metrics at the Xinqingnian Station, and PV-Client exhibits superior performance compared to the second-best model SVR with enhancements of 3.4% in MSE metrics and 0.9% in accuracy metrics at the Hongxing Station.

  • 4 authors
·
Jun 6, 2024

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

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

PCB-Vision: A Multiscene RGB-Hyperspectral Benchmark Dataset of Printed Circuit Boards

Addressing the critical theme of recycling electronic waste (E-waste), this contribution is dedicated to developing advanced automated data processing pipelines as a basis for decision-making and process control. Aligning with the broader goals of the circular economy and the United Nations (UN) Sustainable Development Goals (SDG), our work leverages non-invasive analysis methods utilizing RGB and hyperspectral imaging data to provide both quantitative and qualitative insights into the E-waste stream composition for optimizing recycling efficiency. In this paper, we introduce 'PCB-Vision'; a pioneering RGB-hyperspectral printed circuit board (PCB) benchmark dataset, comprising 53 RGB images of high spatial resolution paired with their corresponding high spectral resolution hyperspectral data cubes in the visible and near-infrared (VNIR) range. Grounded in open science principles, our dataset provides a comprehensive resource for researchers through high-quality ground truths, focusing on three primary PCB components: integrated circuits (IC), capacitors, and connectors. We provide extensive statistical investigations on the proposed dataset together with the performance of several state-of-the-art (SOTA) models, including U-Net, Attention U-Net, Residual U-Net, LinkNet, and DeepLabv3+. By openly sharing this multi-scene benchmark dataset along with the baseline codes, we hope to foster transparent, traceable, and comparable developments of advanced data processing across various scientific communities, including, but not limited to, computer vision and remote sensing. Emphasizing our commitment to supporting a collaborative and inclusive scientific community, all materials, including code, data, ground truth, and masks, will be accessible at https://github.com/hifexplo/PCBVision.

  • 6 authors
·
Jan 12, 2024

Sustainable Aviation Fuels: Opportunities, Alternatives and Challenges for Decarbonizing the Aviation Industry and Foster the Renewable Chemicals

Sustainable Aviation Fuels (SAF) are pivotal in the global effort to decarbonize the aviation sector and meet greenhouse gas (GHG) reduction targets established by international frameworks such as CORSIA and Brazil ProBioQAV. This study evaluates SAF potential to reduce lifecycle carbon emissions by up to 80% while being compatible with existing aviation infrastructure. Through bibliometric analysis, scenario evaluation, legal and regulatory framework analysis and economic modeling, the research examines two key SAF production technologies: Hydroprocessed Esters and Fatty Acids Synthetic Paraffinic Kerosene (HEFA-SPK) and Alcohol-to-Jet (ATJ) pathways in the Brazilian context. The findings reveal significant economic challenges, particularly high feedstock and production costs, which hinder SAF competitiveness with fossil fuels at recent and current market prices in Brazil, leading to the analysis of potential incentives and commercial conditions aiming to increase economic attractiveness of SAF production. Based on interviews with relevant stakeholders and decision makers in the industry, scenarios incorporating tax incentives, carbon credits, capital grants, and premium pricing for SAF and its biogenic by-products demonstrate that combined policy interventions and commercial arrangements, along with a regulated Carbon Market are essential for SAF economic viability. Future research is suggested to look at regional assessments of feedstock availability, supply chain logistics, and global market eligibility. This research provides insights for guiding public policy and private investment to support the transition to sustainable aviation in Brazil and beyond.

  • 5 authors
·
Apr 4, 2025

Vehicle Energy Dataset (VED), A Large-scale Dataset for Vehicle Energy Consumption Research

We present Vehicle Energy Dataset (VED), a novel large-scale dataset of fuel and energy data collected from 383 personal cars in Ann Arbor, Michigan, USA. This open dataset captures GPS trajectories of vehicles along with their time-series data of fuel, energy, speed, and auxiliary power usage. A diverse fleet consisting of 264 gasoline vehicles, 92 HEVs, and 27 PHEV/EVs drove in real-world from Nov, 2017 to Nov, 2018, where the data were collected through onboard OBD-II loggers. Driving scenarios range from highways to traffic-dense downtown area in various driving conditions and seasons. In total, VED accumulates approximately 374,000 miles. We discuss participant privacy protection and develop a method to de-identify personally identifiable information while preserving the quality of the data. After the de-identification, we conducted case studies on the dataset to investigate the impacts of factors known to affect fuel economy and identify energy-saving opportunities that hybrid-electric vehicles and eco-driving techniques can provide. The case studies are supplemented with a number of examples to demonstrate how VED can be utilized for vehicle energy and behavior studies. Potential research opportunities include data-driven vehicle energy consumption modeling, driver behavior modeling, machine and deep learning, calibration of traffic simulators, optimal route choice modeling, prediction of human driver behaviors, and decision making of self-driving cars. We believe that VED can be an instrumental asset to the development of future automotive technologies. The dataset can be accessed at https://github.com/gsoh/VED.

  • 3 authors
·
Apr 19, 2019

More than Carbon: Cradle-to-Grave environmental impacts of GenAI training on the Nvidia A100 GPU

The rapid expansion of AI has intensified concerns about its environmental sustainability. Yet, current assessments predominantly focus on operational carbon emissions using secondary data or estimated values, overlooking environmental impacts in other life cycle stages. This study presents the first comprehensive multi-criteria life cycle assessment (LCA) of AI training, examining 16 environmental impact categories based on detailed primary data collection of the Nvidia A100 SXM 40GB GPU. The LCA results for training BLOOM reveal that the use phase dominates 11 of 16 impact categories including climate change (96\%), while manufacturing dominates the remaining 5 impact categories including human toxicity, cancer (99\%) and mineral and metal depletion (85\%). For training GPT-4, the use phase dominates 10 of 16 impact categories, contributing about 96\% to both the climate change and resource use, fossils category. The manufacturing stage dominates 6 of 16 impact categories including human toxicity, cancer (94\%) and eutrophication, freshwater (81\%). Assessing the cradle-to-gate environmental impact distribution across the GPU components reveals that the GPU chip is the largest contributor across 10 of 16 of impact categories and shows particularly pronounced contributions to climate change (81\%) and resource use, fossils (80\%). While primary data collection results in modest changes in carbon estimates compared to database-derived estimates, substantial variations emerge in other categories. Most notably, minerals and metals depletion increases by 33\%, demonstrating the critical importance of primary data for non-carbon accounting. This multi-criteria analysis expands the Sustainable AI discourse beyond operational carbon emissions, challenging current sustainability narratives and highlighting the need for policy frameworks addressing the full spectrum of AI's environmental impact.

  • 8 authors
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Aug 27, 2025

Improve Machine Learning carbon footprint using Nvidia GPU and Mixed Precision training for classification models -- Part I

This is the 1st part of the dissertation for my master degree and compares the power consumption using the default floating point (32bit) and Nvidia mixed precision (16bit and 32bit) while training a classification ML model. A custom PC with specific hardware was built to perform the experiments, and different ML hyper-parameters, such as batch size, neurons, and epochs, were chosen to build Deep Neural Networks (DNN). Additionally, various software was used during the experiments to collect the power consumption data in Watts from the Graphics Processing Unit (GPU), Central Processing Unit (CPU), Random Access Memory (RAM) and manually from a wattmeter connected to the wall. A benchmarking test with default hyper parameter values for the DNN was used as a reference, while the experiments used a combination of different settings. The results were recorded in Excel, and descriptive statistics were chosen to calculate the mean between the groups and compare them using graphs and tables. The outcome was positive when using mixed precision combined with specific hyper-parameters. Compared to the benchmarking, the optimisation for the classification reduced the power consumption between 7 and 11 Watts. Similarly, the carbon footprint is reduced because the calculation uses the same power consumption data. Still, a consideration is required when configuring hyper-parameters because it can negatively affect hardware performance. However, this research required inferential statistics, specifically ANOVA and T-test, to compare the relationship between the means. Furthermore, tests indicated no statistical significance of the relationship between the benchmarking and experiments. However, a more extensive implementation with a cluster of GPUs can increase the sample size significantly, as it is an essential factor and can change the outcome of the statistical analysis.

  • 1 authors
·
Sep 12, 2024

Green AI: Exploring Carbon Footprints, Mitigation Strategies, and Trade Offs in Large Language Model Training

Prominent works in the field of Natural Language Processing have long attempted to create new innovative models by improving upon previous model training approaches, altering model architecture, and developing more in-depth datasets to better their performance. However, with the quickly advancing field of NLP comes increased greenhouse gas emissions, posing concerns over the environmental damage caused by training LLMs. Gaining a comprehensive understanding of the various costs, particularly those pertaining to environmental aspects, that are associated with artificial intelligence serves as the foundational basis for ensuring safe AI models. Currently, investigations into the CO2 emissions of AI models remain an emerging area of research, and as such, in this paper, we evaluate the CO2 emissions of well-known large language models, which have an especially high carbon footprint due to their significant amount of model parameters. We argue for the training of LLMs in a way that is responsible and sustainable by suggesting measures for reducing carbon emissions. Furthermore, we discuss how the choice of hardware affects CO2 emissions by contrasting the CO2 emissions during model training for two widely used GPUs. Based on our results, we present the benefits and drawbacks of our proposed solutions and make the argument for the possibility of training more environmentally safe AI models without sacrificing their robustness and performance.

  • 2 authors
·
Apr 1, 2024

A Water Efficiency Dataset for African Data Centers

AI computing and data centers consume a large amount of freshwater, both directly for cooling and indirectly for electricity generation. While most attention has been paid to developed countries such as the U.S., this paper presents the first-of-its-kind dataset that combines nation-level weather and electricity generation data to estimate water usage efficiency for data centers in 41 African countries across five different climate regions. We also use our dataset to evaluate and estimate the water consumption of inference on two large language models (i.e., Llama-3-70B and GPT-4) in 11 selected African countries. Our findings show that writing a 10-page report using Llama-3-70B could consume about 0.7 liters of water, while the water consumption by GPT-4 for the same task may go up to about 60 liters. For writing a medium-length email of 120-200 words, Llama-3-70B and GPT-4 could consume about 0.13 liters and 3 liters of water, respectively. Interestingly, given the same AI model, 8 out of the 11 selected African countries consume less water than the global average, mainly because of lower water intensities for electricity generation. However, water consumption can be substantially higher in some African countries with a steppe climate than the U.S. and global averages, prompting more attention when deploying AI computing in these countries. Our dataset is publicly available on https://huggingface.co/datasets/masterlion/WaterEfficientDatasetForAfricanCountries/tree/main{Hugging Face}.

  • 5 authors
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Dec 4, 2024

Single-atom catalysts boost nitrogen electroreduction reaction

Ammonia (NH3) is mainly produced through the traditional Haber-Bosch process under harsh conditions with huge energy consumption and massive carbon dioxide (CO2) emission. The nitrogen electroreduction reaction (NERR), as an energy-efficient and environment-friendly process of converting nitrogen (N2) to NH3 under ambient conditions, has been regarded as a promising alternative to the Haber-Bosch process and has received enormous interest in recent years. Although some exciting progress has been made, considerable scientific and technical challenges still exist in improving the NH3 yield rate and Faradic efficiency, understanding the mechanism of the reaction and promoting the wide commercialization of NERR. Single-atom catalysts (SACs) have emerged as promising catalysts because of its atomically dispersed activity sites and maximized atom efficiency, unsaturated coordination environment, and its unique electronic structure, which could significantly improve the rate of reaction and yield rate of NH3. In this review we briefly introduce the unique structural and electronic features of SACs, which contributes to comprehensively understand the reaction mechanism owing to their structural simplicity and diversity, and in turn expedite the rational design of fantastic catalysts at the atomic scale. Then, we summarize the most recent experimental and computational efforts on developing novel SACs with excellent NERR performance, including precious metal-, nonprecious metal- and nonmetal-based SACs. Finally, we present challenges and perspectives of SACs on NERR, as well as some potential means for advanced NERR catalyst.

  • 7 authors
·
Dec 31, 2019

Exploring Public Attention in the Circular Economy through Topic Modelling with Twin Hyperparameter Optimisation

To advance the circular economy (CE), it is crucial to gain insights into the evolution of public attention, cognitive pathways of the masses concerning circular products, and to identify primary concerns. To achieve this, we collected data from diverse platforms, including Twitter, Reddit, and The Guardian, and utilised three topic models to analyse the data. Given the performance of topic modelling may vary depending on hyperparameter settings, this research proposed a novel framework that integrates twin (single and multi-objective) hyperparameter optimisation for the CE. We conducted systematic experiments to ensure that topic models are set with appropriate hyperparameters under different constraints, providing valuable insights into the correlations between CE and public attention. In summary, our optimised model reveals that public remains concerned about the economic impacts of sustainability and circular practices, particularly regarding recyclable materials and environmentally sustainable technologies. The analysis shows that the CE has attracted significant attention on The Guardian, especially in topics related to sustainable development and environmental protection technologies, while discussions are comparatively less active on Twitter. These insights highlight the need for policymakers to implement targeted education programs, create incentives for businesses to adopt CE principles, and enforce more stringent waste management policies alongside improved recycling processes.

  • 6 authors
·
May 16, 2024

Forging a Developed India: Growth Imperatives, Fiscal Sustainability, and Multilateral Partnerships for Viksit Bharat 2047

This paper examines the fiscal and macroeconomic strategies essential for transition of India to a high income economy by 2047, aligning with the vision of Viksit Bharat. A sustainable annual GDP growth rate of 7 to 8 percent is projected as necessary to achieve this milestone while maintaining fiscal prudence through a targeted deficit threshold below 3.5 percent of GDP. The study underscores the role of disciplined fiscal management in financing critical public investments in infrastructure, human capital development and technological innovation. Given constraints on domestic resource mobilization, the paper highlights the importance of multilateral financial institutions, including the World Bank, IMF and ADB, in expanding fiscal space in India through concessional financing, technical cooperation, and risk sharing mechanisms. Using econometric modeling and scenario analysis, the research identifies key policy interventions in infrastructure, healthcare, education and sustainable energy that can maximize growth while ensuring fiscal sustainability. Policy recommendations include enhancing tax buoyancy, rationalizing expenditure, optimizing public private partnerships and strengthening fiscal responsibility frameworks. The findings suggest that a calibrated approach to growth, prudent fiscal management and strategic international collaborations are critical to achieving long term economic aspirations of India.

  • 2 authors
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Dec 1, 2025