Materials
Leveraging Large Language Models for Generating Labeled Mineral Site Record Linkage Data
Record linkage integrates diverse data sources by identifying records that refer to the same entity. In the context of mineral site records, accurate record linkage is crucial for identifying and mapping mineral deposits. Properly linking records that refer to the same mineral deposit helps define the spatial coverage of mineral areas, benefiting resource identification and site data archiving. Mineral site record linkage falls under the spatial record linkage category since the records contain information about the physical locations and non-spatial attributes in a tabular format. The task is particularly challenging due to the heterogeneity and vast scale of the data. While prior research employs pre-trained discriminative language models (PLMs) on spatial entity linkage, they often require substantial amounts of curated ground-truth data for fine-tuning. Gathering and creating ground truth data is both time-consuming and costly. Therefore, such approaches are not always feasible in real-world scenarios where gold-standard data are unavailable. Although large generative language models (LLMs) have shown promising results in various natural language processing tasks, including record linkage, their high inference time and resource demand present challenges. We propose a method that leverages an LLM to generate training data and fine-tune a PLM to address the training data gap while preserving the efficiency of PLMs. Our approach achieves over 45\% improvement in F1 score for record linkage compared to traditional PLM-based methods using ground truth data while reducing the inference time by nearly 18 times compared to relying on LLMs. Additionally, we offer an automated pipeline that eliminates the need for human intervention, highlighting this approach's potential to overcome record linkage challenges.
On-device Anomaly Detection in Conveyor Belt Operations
Martinez-Rau, Luciano S., Zhang, Yuxuan, Oelmann, Bengt, Bader, Sebastian
Mining 4.0 leverages advancements in automation, digitalization, and interconnected technologies from Industry 4.0 to address the unique challenges of the mining sector, enhancing efficiency, safety, and sustainability. Conveyor belts are crucial in mining operations by enabling the continuous and efficient movement of bulk materials over long distances, which directly impacts productivity. While detecting anomalies in specific conveyor belt components, such as idlers, pulleys, and belt surfaces, has been widely studied, identifying the root causes of these failures remains critical due to factors like changing production conditions and operator errors. Continuous monitoring of mining conveyor belt work cycles for anomaly detection is still at an early stage and requires robust solutions. This study proposes two distinctive pattern recognition approaches for real-time anomaly detection in the operational cycles of mining conveyor belts, combining feature extraction, threshold-based cycle detection, and tiny machine-learning classification. Both approaches outperformed a state-of-the-art technique on two datasets for duty cycle classification in terms of F1-scores. The first approach, with 97.3% and 80.2% for normal and abnormal cycles, respectively, reaches the highest performance in the first dataset while the second approach excels on the second dataset, scoring 91.3% and 67.9%. Implemented on two low-power microcontrollers, the methods demonstrated efficient, real-time operation with energy consumption of 13.3 and 20.6 ${\mu}$J during inference. These results offer valuable insights for detecting mechanical failure sources, supporting targeted preventive maintenance, and optimizing production cycles.
Enhancing Predictive Maintenance in Mining Mobile Machinery through a TinyML-enabled Hierarchical Inference Network
de la Fuente, Raรบl, Radrigan, Luciano, Morales, Anibal S
Mining machinery operating in variable environments faces high wear and unpredictable stress, challenging Predictive Maintenance (PdM). This paper introduces the Edge Sensor Network for Predictive Maintenance (ESN-PdM), a hierarchical inference framework across edge devices, gateways, and cloud services for real-time condition monitoring. The system dynamically adjusts inference locations--on-device, on-gateway, or on-cloud--based on trade-offs among accuracy, latency, and battery life, leveraging Tiny Machine Learning (TinyML) techniques for model optimization on resource-constrained devices. Performance evaluations showed that on-sensor and on-gateway inference modes achieved over 90\% classification accuracy, while cloud-based inference reached 99\%. On-sensor inference reduced power consumption by approximately 44\%, enabling up to 104 hours of operation. Latency was lowest for on-device inference (3.33 ms), increasing when offloading to the gateway (146.67 ms) or cloud (641.71 ms). The ESN-PdM framework provides a scalable, adaptive solution for reliable anomaly detection and PdM, crucial for maintaining machinery uptime in remote environments. By balancing accuracy, latency, and energy consumption, this approach advances PdM frameworks for industrial applications.
Introduction to AI Safety, Ethics, and Society
Artificial Intelligence is rapidly embedding itself within militaries, economies, and societies, reshaping their very foundations. Given the depth and breadth of its consequences, it has never been more pressing to understand how to ensure that AI systems are safe, ethical, and have a positive societal impact. This book aims to provide a comprehensive approach to understanding AI risk. Our primary goals include consolidating fragmented knowledge on AI risk, increasing the precision of core ideas, and reducing barriers to entry by making content simpler and more comprehensible. The book has been designed to be accessible to readers from diverse backgrounds. You do not need to have studied AI, philosophy, or other such topics. The content is skimmable and somewhat modular, so that you can choose which chapters to read. We introduce mathematical formulas in a few places to specify claims more precisely, but readers should be able to understand the main points without these.
Physics-informed neural networks need a physicist to be accurate: the case of mass and heat transport in Fischer-Tropsch catalyst particles
Nikolaienko, Tymofii, Patel, Harshil, Panda, Aniruddha, Joshi, Subodh Madhav, Jaso, Stanislav, Kalyanaraman, Kaushic
Physics-Informed Neural Networks (PINNs) have emerged as an influential technology, merging the swift and automated capabilities of machine learning with the precision and dependability of simulations grounded in theoretical physics. PINNs are often employed to solve algebraic or differential equations to replace some or even all steps of multi-stage computational workflows, leading to their significant speed-up. However, wide adoption of PINNs is still hindered by reliability issues, particularly at extreme ends of the input parameter ranges. In this study, we demonstrate this in the context of a system of coupled non-linear differential reaction-diffusion and heat transfer equations related to Fischer-Tropsch synthesis, which are solved by a finite-difference method with a PINN used in evaluating their source terms. It is shown that the testing strategies traditionally used to assess the accuracy of neural networks as function approximators can overlook the peculiarities which ultimately cause instabilities of the finite-difference solver. We propose a domain knowledge-based modifications to the PINN architecture ensuring its correct asymptotic behavior. When combined with an improved numerical scheme employed as an initial guess generator, the proposed modifications are shown to recover the overall stability of the simulations, while preserving the speed-up brought by PINN as the workflow component. We discuss the possible applications of the proposed hybrid transport equation solver in context of chemical reactors simulations.
Energy-GNoME: A Living Database of Selected Materials for Energy Applications
De Angelis, Paolo, Trezza, Giovanni, Barletta, Giulio, Asinari, Pietro, Chiavazzo, Eliodoro
Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we identify over 33,000 materials with potential as energy materials forming the Energy-GNoME database. Leveraging Machine Learning (ML) and Deep Learning (DL) tools, our protocol mitigates cross-domain data bias using feature spaces to identify potential candidates for thermoelectric materials, novel battery cathodes, and novel perovskites. Classifiers with both structural and compositional features identify domains of applicability, where we expect enhanced accuracy of the regressors. Such regressors are trained to predict key materials properties like, thermoelectric figure of merit (zT), band gap (Eg), and cathode voltage ($\Delta V_c$). This method significantly narrows the pool of potential candidates, serving as an efficient guide for experimental and computational chemistry investigations and accelerating the discovery of materials suited for electricity generation, energy storage and conversion.
NeuralDEM -- Real-time Simulation of Industrial Particulate Flows
Alkin, Benedikt, Kronlachner, Tobias, Papa, Samuele, Pirker, Stefan, Lichtenegger, Thomas, Brandstetter, Johannes
Advancements in computing power have made it possible to numerically simulate large-scale fluid-mechanical and/or particulate systems, many of which are integral to core industrial processes. Among the different numerical methods available, the discrete element method (DEM) provides one of the most accurate representations of a wide range of physical systems involving granular and discontinuous materials. Consequently, DEM has become a widely accepted approach for tackling engineering problems connected to granular flows and powder mechanics. Additionally, DEM can be integrated with grid-based computational fluid dynamics (CFD) methods, enabling the simulation of chemical processes taking place, e.g., in fluidized beds. However, DEM is computationally intensive because of the intrinsic multiscale nature of particulate systems, restricting simulation duration or number of particles. Towards this end, NeuralDEM presents an end-to-end approach to replace slow numerical DEM routines with fast, adaptable deep learning surrogates. NeuralDEM is capable of picturing long-term transport processes across different regimes using macroscopic observables without any reference to microscopic model parameters. First, NeuralDEM treats the Lagrangian discretization of DEM as an underlying continuous field, while simultaneously modeling macroscopic behavior directly as additional auxiliary fields. Second, NeuralDEM introduces multi-branch neural operators scalable to real-time modeling of industrially-sized scenarios - from slow and pseudo-steady to fast and transient. Such scenarios have previously posed insurmountable challenges for deep learning models. Notably, NeuralDEM faithfully models coupled CFD-DEM fluidized bed reactors of 160k CFD cells and 500k DEM particles for trajectories of 28s. NeuralDEM will open many new doors to advanced engineering and much faster process cycles.
UAV survey coverage path planning of complex regions containing exclusion zones
Shahid, Shadman Tajwar, Siddique, Shah Md. Ahasan, Alam, Md. Mahidul
This article addresses the challenge of UAV survey coverage path planning for areas that are complex concave polygons, containing exclusion zones or obstacles. While standard drone path planners typically generate coverage paths for simple convex polygons, this study proposes a method to manage more intricate regions, including boundary splits, merges, and interior holes. To achieve this, polygonal decomposition techniques are used to partition the target area into convex sub-regions. The sub-polygons are then merged using a depth-first search algorithm, followed by the generation of continuous Boustrophedon paths based on connected components. Polygonal offset by the straight skeleton method was used to ensure a constant safe distance from the exclusion zones. This approach allows UAV path planning in environments with complex geometric constraints.
Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning
Huang, Chao, Chen, Chunyan, Shi, Ling, Chen, Chen
Machine learning has become a crucial tool for predicting the properties of crystalline materials. However, existing methods primarily represent material information by constructing multi-edge graphs of crystal structures, often overlooking the chemical and physical properties of elements (such as atomic radius, electronegativity, melting point, and ionization energy), which have a significant impact on material performance. To address this limitation, we first constructed an element property knowledge graph and utilized an embedding model to encode the element attributes within the knowledge graph. Furthermore, we propose a multimodal fusion framework, ESNet, which integrates element property features with crystal structure features to generate joint multimodal representations. This provides a more comprehensive perspective for predicting the performance of crystalline materials, enabling the model to consider both microstructural composition and chemical characteristics of the materials. We conducted experiments on the Materials Project benchmark dataset, which showed leading performance in the bandgap prediction task and achieved results on a par with existing benchmarks in the formation energy prediction task.
Dynamic technology impact analysis: A multi-task learning approach to patent citation prediction
Seol, Youngjin, Choi, Jaewoong, Lee, Seunghyun, Yoon, Janghyeok
Machine learning (ML) models are valuable tools for analyzing the impact of technology using patent citation information. However, existing ML-based methods often struggle to account for the dynamic nature of the technology impact over time and the interdependencies of these impacts across different periods. This study proposes a multi-task learning (MTL) approach to enhance the prediction of technology impact across various time frames by leveraging knowledge sharing and simultaneously monitoring the evolution of technology impact. First, we quantify the technology impacts and identify patterns through citation analysis over distinct time periods. Next, we develop MTL models to predict citation counts using multiple patent indicators over time. Finally, we examine the changes in key input indicators and their patterns over different periods using the SHapley Additive exPlanation method. We also offer guidelines for validating and interpreting the results by employing statistical methods and natural language processing techniques. A case study on battery technologies demonstrates that our approach not only deepens the understanding of 1 technology impact, but also improves prediction accuracy, yielding valuable insights for both academia and industry.