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Neural Operators for Accelerating Scientific Simulations and Design

arXiv.org Artificial Intelligence

Scientific discovery and engineering design are currently limited by the time and cost of physical experiments, selected mostly through trial-and-error and intuition that require deep domain expertise. Numerical simulations present an alternative to physical experiments but are usually infeasible for complex real-world domains due to the computational requirements of existing numerical methods. Artificial intelligence (AI) presents a potential paradigm shift by developing fast data-driven surrogate models. In particular, an AI framework, known as Neural Operators, presents a principled framework for learning mappings between functions defined on continuous domains, e.g., spatiotemporal processes and partial differential equations (PDE). They can extrapolate and predict solutions at new locations unseen during training, i.e., perform zero-shot super-resolution. Neural Operators can augment or even replace existing simulators in many applications, such as computational fluid dynamics, weather forecasting, and material modeling, while being 4-5 orders of magnitude faster. Further, Neural Operators can be integrated with physics and other domain constraints enforced at finer resolutions to obtain high-fidelity solutions and good generalization. Since Neural Operators are differentiable, they can directly optimize parameters for inverse design and other inverse problems. We believe that Neural Operators present a transformative approach to simulation and design, enabling rapid research and development.


Most large fishing boats go untracked as 'dark vessels'

New Scientist

The majority of the world's industrial fishing vessels are not publicly trackedThree-quarters of the world's large fishing boats and a quarter of transport and energy ships are "dark vessels" that do not publicly share their location. The finding comes from an analysis of satellite images using artificial intelligence – an approach that could help better track human activities impacting the oceans. "We had an idea that we were missing a big chunk of the activity happening in the ocean but we didn't know how much," says Fernando Paolo at Global Fishing Watch, a non-profit organisation based in Washington DC. "And we found that it's a lot more than we imagined." Paolo and his colleagues used satellite images – including radar images that can reveal objects regardless of clouds or darkness – taken between 2017 and 2021 and covering coastal regions where most large-scale fishing and other industrial activities take place.


Misinformation on Japan quake spreading on social media, government warns

The Japan Times

False information concerning a powerful earthquake in central Japan on New Year's Day has been spreading on social media platforms, prompting the government on Wednesday to call for the public to exercise caution. Some posts have attributed the cause of the magnitude-7.6 A woman in her 40s in one of the disaster-hit areas had her address publicly disclosed in a post attributed to her that stated, "My son is trapped and cannot move." She said, "This is false information and my home's location is now known. I want the post to be removed."


Computational Discovery of Microstructured Composites with Optimal Stiffness-Toughness Trade-Offs

arXiv.org Artificial Intelligence

The conflict between stiffness and toughness is a fundamental problem in engineering materials design. However, the systematic discovery of microstructured composites with optimal stiffness-toughness trade-offs has never been demonstrated, hindered by the discrepancies between simulation and reality and the lack of data-efficient exploration of the entire Pareto front. We introduce a generalizable pipeline that integrates physical experiments, numerical simulations, and artificial neural networks to address both challenges. Without any prescribed expert knowledge of material design, our approach implements a nested-loop proposal-validation workflow to bridge the simulation-to-reality gap and discover microstructured composites that are stiff and tough with high sample efficiency. Further analysis of Pareto-optimal designs allows us to automatically identify existing toughness enhancement mechanisms, which were previously discovered through trial-and-error or biomimicry. On a broader scale, our method provides a blueprint for computational design in various research areas beyond solid mechanics, such as polymer chemistry, fluid dynamics, meteorology, and robotics.


EV-Planner: Energy-Efficient Robot Navigation via Event-Based Physics-Guided Neuromorphic Planner

arXiv.org Artificial Intelligence

Vision-based object tracking is an essential precursor to performing autonomous aerial navigation in order to avoid obstacles. Biologically inspired neuromorphic event cameras are emerging as a powerful alternative to frame-based cameras, due to their ability to asynchronously detect varying intensities (even in poor lighting conditions), high dynamic range, and robustness to motion blur. Spiking neural networks (SNNs) have gained traction for processing events asynchronously in an energy-efficient manner. On the other hand, physics-based artificial intelligence (AI) has gained prominence recently, as they enable embedding system knowledge via physical modeling inside traditional analog neural networks (ANNs). In this letter, we present an event-based physics-guided neuromorphic planner (EV-Planner) to perform obstacle avoidance using neuromorphic event cameras and physics-based AI. We consider the task of autonomous drone navigation where the mission is to detect moving gates and fly through them while avoiding a collision. We use event cameras to perform object detection using a shallow spiking neural network in an unsupervised fashion. Utilizing the physical equations of the brushless DC motors present in the drone rotors, we train a lightweight energy-aware physics-guided neural network (PgNN) with depth inputs. This predicts the optimal flight time responsible for generating near-minimum energy paths. We spawn the drone in the Gazebo simulator and implement a sensor-fused vision-to-planning neuro-symbolic framework using Robot Operating System (ROS). Simulation results for safe collision-free flight trajectories are presented with performance analysis, ablation study and potential future research directions


Investigating the Suitability of Concept Drift Detection for Detecting Leakages in Water Distribution Networks

arXiv.org Artificial Intelligence

Leakages are a major risk in water distribution networks as they cause water loss and increase contamination risks. Leakage detection is a difficult task due to the complex dynamics of water distribution networks. In particular, small leakages are hard to detect. From a machine-learning perspective, leakages can be modeled as concept drift. Thus, a wide variety of drift detection schemes seems to be a suitable choice for detecting leakages. In this work, we explore the potential of model-loss-based and distribution-based drift detection methods to tackle leakage detection. We additionally discuss the issue of temporal dependencies in the data and propose a way to cope with it when applying distribution-based detection. We evaluate different methods systematically for leakages of different sizes and detection times. Additionally, we propose a first drift-detection-based technique for localizing leakages.


Graph Neural Networks for Surfactant Multi-Property Prediction

arXiv.org Artificial Intelligence

Surfactants are of high importance in different industrial sectors such as cosmetics, detergents, oil recovery and drug delivery systems. Therefore, many quantitative structure-property relationship (QSPR) models have been developed for surfactants. Each predictive model typically focuses on one surfactant class, mostly nonionics. Graph Neural Networks (GNNs) have exhibited a great predictive performance for property prediction of ionic liquids, polymers and drugs in general. Specifically for surfactants, GNNs can successfully predict critical micelle concentration (CMC), a key surfactant property associated with micellization. A key factor in the predictive ability of QSPR and GNN models is the data available for training. Based on extensive literature search, we create the largest available CMC database with 429 molecules and the first large data collection for surface excess concentration ($\Gamma$$_{m}$), another surfactant property associated with foaming, with 164 molecules. Then, we develop GNN models to predict the CMC and $\Gamma$$_{m}$ and we explore different learning approaches, i.e., single- and multi-task learning, as well as different training strategies, namely ensemble and transfer learning. We find that a multi-task GNN with ensemble learning trained on all $\Gamma$$_{m}$ and CMC data performs best. Finally, we test the ability of our CMC model to generalize on industrial grade pure component surfactants. The GNN yields highly accurate predictions for CMC, showing great potential for future industrial applications.


Robust Control Barrier Functions using Uncertainty Estimation with Application to Mobile Robots

arXiv.org Artificial Intelligence

Model uncertainty poses a significant challenge to the implementation of safety-critical control systems. With this as motivation, this paper proposes a safe control design approach that guarantees the robustness of nonlinear feedback systems in the presence of matched or unmatched unmodelled system dynamics and external disturbances. Our approach couples control barrier functions (CBFs) with a new uncertainty/disturbance estimator to ensure robust safety against input and state-dependent model uncertainties. We prove upper bounds on the estimator's error and estimated outputs. We use an uncertainty estimator-based composite feedback control law to adaptively improve robust control performance under hard safety constraints by compensating for the matched uncertainty. Then, we robustify existing CBF constraints with this uncertainty estimate and the estimation error bounds to ensure robust safety via a quadratic program (CBF-QP). We also extend our method to higher-order CBFs (HOCBFs) to achieve safety under unmatched uncertainty, which causes relative degree differences with respect to control input and disturbance. We assume the relative degree difference is at most one, resulting in a second-order cone (SOC) condition. The proposed robust HOCBFs method is demonstrated in a simulation of an uncertain elastic actuator control problem. Finally, the efficacy of our method is experimentally demonstrated on a tracked robot with slope-induced matched and unmatched perturbations.


Two-Stage Surrogate Modeling for Data-Driven Design Optimization with Application to Composite Microstructure Generation

arXiv.org Artificial Intelligence

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the "learner" identifies a limited set of candidates within the input design space whose predicted outputs closely align with desired outcomes. Subsequently, in the second stage, a separate surrogate model, functioning as an "evaluator," is employed to assess the reduced candidate space generated in the first stage. This evaluation process eliminates inaccurate and uncertain solutions, guided by a user-defined coverage level. The framework's distinctive contribution is the integration of conformal inference, providing a versatile and efficient approach that can be widely applicable. To demonstrate the effectiveness of the proposed framework compared to conventional single-stage inverse problems, we conduct several benchmark tests and investigate an engineering application focused on the micromechanical modeling of fiber-reinforced composites. The results affirm the superiority of our proposed framework, as it consistently produces more reliable solutions. Therefore, the introduced framework offers a unique perspective on fostering interactions between machine learning-based surrogate models in real-world applications.


Deep learning the Hurst parameter of linear fractional processes and assessing its reliability

arXiv.org Machine Learning

This research explores the reliability of deep learning, specifically Long Short-Term Memory (LSTM) networks, for estimating the Hurst parameter in fractional stochastic processes. The study focuses on three types of processes: fractional Brownian motion (fBm), fractional Ornstein-Uhlenbeck (fOU) process, and linear fractional stable motions (lfsm). The work involves a fast generation of extensive datasets for fBm and fOU to train the LSTM network on a large volume of data in a feasible time. The study analyses the accuracy of the LSTM network's Hurst parameter estimation regarding various performance measures like RMSE, MAE, MRE, and quantiles of the absolute and relative errors. It finds that LSTM outperforms the traditional statistical methods in the case of fBm and fOU processes; however, it has limited accuracy on lfsm processes. The research also delves into the implications of training length and valuation sequence length on the LSTM's performance. The methodology is applied by estimating the Hurst parameter in Li-ion battery degradation data and obtaining confidence bounds for the estimation. The study concludes that while deep learning methods show promise in parameter estimation of fractional processes, their effectiveness is contingent on the process type and the quality of training data.