pwc-archive/papers-with-abstracts huggingface dataset:
Simulation Results of Center-Manifold-Based Identification of Polynomial Nonlinear Systems with Uncontrollable Linearization
Authors: Chao Huang, Hao Zhang, Zhuping Wang
Date: 2024-10-03 00:00:00

Recently, a system identification method based on center manifold is proposed to identify polynomial nonlinear systems with uncontrollable linearization. This note presents a numerical example to show the effectiveness of this method.
Guaranteed-Safe MPPI Through Composite Control Barrier Functions for Efficient Sampling in Multi-Constrained Robotic Systems
Authors: Pedram Rabiee, Jesse B. Hoagg
Date: 2024-10-03 00:00:00
Tasks: Computational Efficiency, Position

We present a new guaranteed-safe model predictive path integral (GS-MPPI) control algorithm that enhances sample efficiency in nonlinear systems with multiple safety constraints. The approach use a composite control barrier function (CBF) along with MPPI to ensure all sampled trajectories are provably safe. We first construct a single CBF constraint from multiple safety constraints with potentially differing relative degrees, using it to create a safe closed-form control law. This safe control is then integrated into the system dynamics, allowing MPPI to optimize over exclusively safe trajectories. The method not only improves computational efficiency but also addresses the myopic behavior often associated with CBFs by incorporating long-term performance considerations. We demonstrate the algorithm's effectiveness through simulations of a nonholonomic ground robot subject to position and speed constraints, showcasing safety and performance.
A Miniature Potentiostat for Impedance Spectroscopy and Cyclic Voltammetry in Wearable Sensor Integration
Authors: Franci Franulovic, Shawana Tabassum
Date: 2024-10-03 00:00:00

A potentiostat is an analytical device and a crucial component in electrochemical instruments used for studying chemical reaction mechanisms, with potential applications in early diagnosis of disease or critical health conditions. Conventional potentiostats are typically benchtop devices designed for laboratory use, whereas a wearable potentiostat can be interfaced with biochemical sensors for disease diagnostics at home. This work presents a low-power potentiostat designed to connect with a sensor array consisting of eight to ten working electrodes. The potentiostat is capable of running Electrochemical Impedance Spectroscopy and Cyclic Voltammetry. The system is powered by lithium-ion batteries and uses Bluetooth for data transmission to the user. A single ARM M4 microcontroller, integrated with a Bluetooth low-energy radio module, controls the entire system. The accuracy, reliability, and power efficiency of the potentiostat were evaluated and compared against existing commercial benchtop potentiostats. Additionally, we have outlined future steps to enhance circuit miniaturization and power efficiency, aiming to develop fully integrated wearable sensing devices comparable in size to a wristwatch.
Safety Verification of Stochastic Systems: A Set-Erosion Approach
Authors: Zishun Liu, Saber Jafarpour, Yongxin Chen
Date: 2024-10-03 00:00:00

We study the safety verification problem for discrete-time stochastic systems. We propose an approach for safety verification termed set-erosion strategy that verifies the safety of a stochastic system on a safe set through the safety of its associated deterministic system on an eroded subset. The amount of erosion is captured by the probabilistic bound on the distance between stochastic trajectories and their associated deterministic counterpart. Building on our recent work [1], we establish a sharp probabilistic bound on this distance. Combining this bound with the set-erosion strategy, we establish a general framework for the safety verification of stochastic systems. Our method is flexible and can work effectively with any deterministic safety verification techniques. We exemplify our method by incorporating barrier functions designed for deterministic safety verification, obtaining barrier certificates much tighter than existing results. Numerical experiments are conducted to demonstrate the efficacy and superiority of our method.
An Analysis of Market-to-Market Coordination
Authors: Weihang Ren, Alinson S. Xavier, Fengyu Wang, Yongpei Guan, Feng Qiu
Date: 2024-10-02 00:00:00

The growing usage of renewable energy resources has introduced significant uncertainties in energy generation, enlarging challenges for Regional Transmission Operators (RTOs) in managing transmission congestion. To mitigate congestion that affects neighboring regions, RTOs employ a market-to-market (M2M) process through an iterative method, in which they exchange real-time security-constrained economic dispatch solutions and communicate requests for congestion relief. While this method provides economic benefits, it struggles with issues like power swings and time delays. To explore the full potential of M2M enhancements, in this paper, we first analyze the current M2M iterative method practice to better understand its efficacy and identify places for improvements. Then, we explore enhancements and develop an ADMM method for the M2M coordination that optimizes congestion management. Specifically, our ADMM method can achieve a minimal cost that is the same as the cost obtained through a centralized model that optimizes multiple markets altogether. Our final case studies, across a comprehensive set of multi-area benchmark instances, demonstrate the superior performance of the proposed ADMM algorithm for the M2M process. Meanwhile, we identify scenarios where the existing M2M process fails to provide solutions as a by-product. Finally, the algorithm is implemented in an open-source package UnitCommitment.jl for easy access by a broader audience.
A Preventive-Corrective Scheme for Ensuring Power System Security During Active Wildfire Risks
Authors: Satyaprajna Sahoo, Anamitra Pal
Date: 2024-10-02 00:00:00
Tasks: Decision Making

The focus of this paper is on operating the electric power grid in a secure manner when wildfire risks are high. This is a challenging problem because of the uncertain ways in which the fires can impact the operation of the power system. To address this challenge, we propose a novel preventive-corrective coordinated decision-making scheme that quickly mitigates both static and dynamic insecurities given the risk of active wildfires in a region. The scheme utilizes a comprehensive contingency analysis tool for multi-asset outages that leverages: (i) a Feasibility Test algorithm which exhaustively desaturates overloaded cut-sets to prevent cascading line outages, and (ii) a data-driven transient stability analyzer which alleviates dynamic instabilities. This tool is then used to operate a coordinated unit commitment/optimal power flow model that is designed to adapt to varying risk levels associated with wildfires. Depending on the allowed risk, the model balances economical operation and grid robustness. The results obtained using the IEEE 118-bus system indicate that the proposed approach alleviates system vulnerabilities to wildfires while also minimizing operational cost.
Aerial-based Crisis Management Center (ACMC)
Authors: Hossein Rastgoftar, Salim Hariri
Date: 2024-10-02 00:00:00
Tasks: Management

Crisis management (CM) for critical infrastructures, natural disasters such as wildfires and hurricanes, terrorist actions, or civil unrest requires high speed communications and connectivity, and access to high performance computational resources to deliver timely dynamic responses to the crisis being managed by different first responders. CM systems should detect, recognize, and disseminate huge amounts of heterogeneous dynamic events that operate at different speeds and formats. Furthermore, the processing of crisis events and the development of real-time responses are major research challenges when the communications and computational resources needed by CM stakeholders are not available or severely degraded by the crisis. The main goal of the research presented in this paper is to utilize Unmanned Autonomous Systems (UAS) to provide Aerial-based Crisis Management Center (ACMC) that will provide the required communications services and the computational resources that are critically needed by first responders. In our approach to develop an ACMC architecture, we utilize a set of flexible Unmanned Aerial Systems (UAS) that can be dynamically composed to meet the communications and computational requirements of CM tasks. The ACMC services will be modeled as a deep neural network (DNN) mass transport approach to cover a distributed target in a decentralized manner. This is indeed a new decentralized coverage approach with time-varying communication weights. Furthermore, our analysis proves the stability and convergence of the proposed DNN-based mass transport for a team of UAS (e.g., quadcopters), where each quadcopter uses a feedback nonlinear control to independently attain the intended coverage trajectory in a decentralized manner.
Adaptive Invariant Extended Kalman Filter with Noise Covariance Tuning for Attitude Estimation
Authors: Yash Pandey, Rahul Bhattacharyya, Yatindra Nath Singh
Date: 2024-10-02 00:00:00

Attitude estimation is crucial in aerospace engineering, robotics, and virtual reality applications, but faces difficulties due to nonlinear system dynamics and sensor limitations. This paper addresses the challenge of attitude estimation using quaternion-based adaptive right invariant extended Kalman filtering (RI-EKF) that integrates data from inertial and magnetometer sensors. Our approach applies the expectation-maximization (EM) algorithm to estimate noise covariance, exploiting RI-EKF symmetry properties. We analyze the adaptive RI-EKF's stability, convergence, and accuracy, validating its performance through simulations and comparison with the left invariant EKF. Monte Carlo simulations validate the effectiveness of our noise covariance estimation technique across various window lengths.
Latency Reduction in CloudVR: Cloud Prediction, Edge Correction
Authors: Ali Majlesi Kopaee, Seyed Amir Hajseyedtaghia, Hossein Chitsaz
Date: 2024-10-02 00:00:00
Tasks: Prediction

Current virtual reality (VR) headsets encounter a trade-off between high processing power and affordability. Consequently, offloading 3D rendering to remote servers helps reduce costs, battery usage, and headset weight. Maintaining network latency below 20ms is crucial to achieving this goal. Predicting future movement and prerendering are beneficial in meeting this tight latency bound. This paper proposes a method that utilizes the low-latency property of edge servers and the high resources available in cloud servers simultaneously to achieve cost-efficient, high-quality VR. In this method, head movement is predicted on the cloud server, and frames are rendered there and transmitted to the edge server. If the prediction error surpasses a threshold, the frame is re-rendered on the edge server. Results demonstrate that using this method, each edge server can efficiently serve up to 23 users concurrently, compared to a maximum of 5 users when rendering the frame entirely on the edge server. Furthermore, this paper shows that employing the Mean Absolute Error loss function and predicting acceleration rather than velocity significantly enhances prediction accuracy. Additionally, it is shown that normalizing individual data using its mean and standard deviation does not yield improvements in prediction accuracy. These findings provide insights into optimizing VR headset performance through cloud-edge collaboration.
Open loop calibration and closed loop non-perturbative estimation of the lateral errors of an adaptive optics system: examples with GRAVITY+ and CHARA experimental data
Authors: Anthony Berdeu, Henri Bonnet, Jean-Baptiste Le Bouquin, Johann Kolb, Guillaume Bourdarot, Philippe Berio, Thibaut Paumard, Frank Eisenhauer, Christian Straubmeier, Paulo Garcia, Sebastian Hönig, Florentin Millour, Laura Kreidberg, Denis Defrère, Ferréol Soulez, Denis Mourard, Gail Schaefer, Narsireddy Anugu
Date: 2024-10-09 00:00:00

Performances of an adaptive optics (AO) system are directly linked with the quality of its alignment. During the instrument calibration, having open loop fast tools with a large capture range are necessary to quickly assess the system misalignment and to drive it towards a state allowing to close the AO loop. During operation, complex systems are prone to misalignments (mechanical flexions, rotation of optical elements, etc.) that potentially degrade the AO performances, creating a need for a monitoring tool to tackle their driftage. In this work, we first present an improved perturbative method to quickly assess large lateral errors in open loop. It uses the spatial correlation of the measured interaction matrix of a limited number of 2D spatial modes with a synthetic model. Then, we introduce a novel solution to finely measure and correct these lateral errors via the closed loop telemetry. Non-perturbative, this method consequently does not impact the science output of the instrument. It is based on the temporal correlation of 2D spatial frequencies in the deformable mirror commands. It is model-free (no need of an interaction matrix model) and sparse in the Fourier space, making it fast and easily scalable to complex systems such as future extremely large telescopes. Finally, we present some results obtained on the development bench of the GRAVITY+ extreme AO system (Cartesian grid, 1432 actuators). In addition, we show with on-sky results gathered with CHARA and GRAVITY/CIAO that the method is adaptable to non-conventional AO geometries (hexagonal grids, 60 actuators).
Low-dimensional model for adaptive networks of spiking neurons
Authors: Bastian Pietras, Pau Clusella, Ernest Montbrió
Date: 2024-10-04 00:00:00

We investigate a large ensemble of Quadratic Integrate-and-Fire (QIF) neurons with heterogeneous input currents and adaptation variables. Our analysis reveals that for a specific class of adaptation, termed quadratic spike-frequency adaptation (QSFA), the high-dimensional system can be exactly reduced to a low-dimensional system of ordinary differential equations, which describes the dynamics of three mean-field variables: the population's firing rate, the mean membrane potential, and a mean adaptation variable. The resulting low-dimensional firing rate equations (FRE) uncover a key generic feature of heterogeneous networks with spike frequency adaptation: Both the center and the width of the distribution of the neurons' firing frequencies are reduced, and this largely promotes the emergence of collective synchronization in the network. Our findings are further supported by the bifurcation analysis of the FRE, which accurately captures the collective dynamics of the spiking neuron network, including phenomena such as collective oscillations, bursting, and macroscopic chaos.
Accelerating the discovery of low-energy structure configurations: a computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning
Authors: Md Rajib Khan Musa, Yichen Qian, Jie Peng, David Cereceda
Date: 2024-10-08 00:00:00
Tasks: Computational Efficiency

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys considered candidate PFMs is key because it determines the most stable arrangement of atoms within the alloy, directly influencing its phase stability, structural integrity, and thermo-mechanical properties. However, since the search space grows exponentially with the number of atoms considered, obtaining such MECs using computationally expensive first-principles DFT calculations often results in a cumbersome task. To escape the above compromise between physical fidelity and computational efficiency, we have developed a novel physics-based data-driven approach that combines Monte Carlo sampling, first-principles DFT calculations, and Machine Learning to accelerate the discovery of MECs in multi-component alloys. More specifically, we have leveraged well-established Cluster Expansion (CE) techniques with Local Outlier Factor models to establish strategies that enhance the reliability of the CE method. In this work, we demonstrated the capabilities of the proposed approach for the particular case of a tungsten-based quaternary high-entropy alloy. However, the method is applicable to other types of alloys and enables a wide range of applications.
Early-Cycle Internal Impedance Enables ML-Based Battery Cycle Life Predictions Across Manufacturers
Authors: Tyler Sours, Shivang Agarwal, Marc Cormier, Jordan Crivelli-Decker, Steffen Ridderbusch, Stephen L. Glazier, Connor P. Aiken, Aayush R. Singh, Ang Xiao, Omar Allam
Date: 2024-10-05 00:00:00

Predicting the end-of-life (EOL) of lithium-ion batteries across different manufacturers presents significant challenges due to variations in electrode materials, manufacturing processes, cell formats, and a lack of generally available data. Methods that construct features solely on voltage-capacity profile data typically fail to generalize across cell chemistries. This study introduces a methodology that combines traditional voltage-capacity features with Direct Current Internal Resistance (DCIR) measurements, enabling more accurate and generalizable EOL predictions. The use of early-cycle DCIR data captures critical degradation mechanisms related to internal resistance growth, enhancing model robustness. Models are shown to successfully predict the number of cycles to EOL for unseen manufacturers of varied electrode composition with a mean absolute error (MAE) of 150 cycles. This cross-manufacturer generalizability reduces the need for extensive new data collection and retraining, enabling manufacturers to optimize new battery designs using existing datasets. Additionally, a novel DCIR-compatible dataset is released as part of ongoing efforts to enrich the growing ecosystem of cycling data and accelerate battery materials development.
Topology-Informed Machine Learning for Efficient Prediction of Solid Oxide Fuel Cell Electrode Polarization
Authors: Maksym Szemer, Szymon Buchaniec, Tomasz Prokop, Grzegorz Brus
Date: 2024-10-04 00:00:00

Machine learning has emerged as a potent computational tool for expediting research and development in solid oxide fuel cell electrodes. The effective application of machine learning for performance prediction requires transforming electrode microstructure into a format compatible with artificial neural networks. Input data may range from a comprehensive digital material representation of the electrode to a selected set of microstructural parameters. The chosen representation significantly influences the performance and results of the network. Here, we show a novel approach utilizing persistence representation derived from computational topology. Using 500 microstructures and current-voltage characteristics obtained with 3D first-principles simulations, we have prepared an artificial neural network model that can replicate current-voltage characteristics of unseen microstructures based on their persistent image representation. The artificial neural network can accurately predict the polarization curve of solid oxide fuel cell electrodes. The presented method incorporates complex microstructural information from the digital material representation while requiring substantially less computational resources (preprocessing and prediction time approximately 1 min) compared to our high-fidelity simulations (simulation time approximately 1 hour) to obtain a single current-potential characteristic for one microstructure.
Resolution Enhancement of Scanning Electron Micrographs using Artificial Intelligence
Authors: Tom Reclik, Setareh Medghalchi, Philipp Schumacher, Maximilian Wollenweber, Talal Al-Samman, Sandra Korte-Kerzel, Ulrich Kerzel
Date: 2024-10-01 00:00:00
Tasks: Super-Resolution

Scanning Electron Microscopy (SEM) is pivotal in revealing intricate micro- and nanoscale features across various research fields. However, obtaining high-resolution SEM images presents challenges, including prolonged scanning durations and potential sample degradation due to extended electron beam exposure. This paper addresses these challenges by training and applying a deep learning based super-resolution algorithm. We show that the chosen algorithm is capable of increasing the resolution by a factor of 4, thereby reducing the initial imaging time by a factor of 16. We benchmark our method in terms of visual similarity and similarity metrics on two different materials, a dual-phase steel and a case-hardening steel, improving over standard interpolation methods. Additionally, we introduce an experimental pipeline for the study of rare events in scanning electron micrographs, without losing high-resolution information.
Multi-Motor Cargo Navigation in Complex Cytoskeletal Networks
Authors: Mason Grieb, Nimisha Krishnan, Jennifer L. Ross
Date: 2024-10-03 00:00:00
Tasks: Navigate

The kinesin superfamily of motor proteins is a major driver of anterograde transport of vesicles and organelles within eukaryotic cells via microtubules. Numerous studies have elucidated the step-size, velocities, forces, and navigation ability of kinesins both in reconstituted systems and in live cells. Outside of cells, the kinesin-based transport is physically regulated and can be controlled by obstacles or defects in the path, or the interaction between several motors on the same cargo. To explore the physical control parameters on kinesin-driven transport, we created complex microtubule networks in vitro to test how kinesin cargoes made from quantum dots with one to 10 kinesin motors attached are able to navigate the network. We find that many motors on the quantum dot significantly alter distance walked, time spent bound, the average speed, and the tortuosity of the cargo. We also find that the average mesh size of the microtubule network affects the end-to-end distance of the motion, the run time, average speed and tortuosity of cargoes. Thus, both motor number and network density are physical aspects that regulate where cargoes traverse in space and time.
Inverse Design of Copolymers Including Stoichiometry and Chain Architecture
Authors: Gabriel Vogel, Jana M. Weber
Date: 2024-09-30 00:00:00

The demand for innovative synthetic polymers with improved properties is high, but their structural complexity and vast design space hinder rapid discovery. Machine learning-guided molecular design is a promising approach to accelerate polymer discovery. However, the scarcity of labeled polymer data and the complex hierarchical structure of synthetic polymers make generative design particularly challenging. We advance the current state-of-the-art approaches to generate not only repeating units, but monomer ensembles including their stoichiometry and chain architecture. We build upon a recent polymer representation that includes stoichiometries and chain architectures of monomer ensembles and develop a novel variational autoencoder (VAE) architecture encoding a graph and decoding a string. Using a semi-supervised setup, we enable the handling of partly labelled datasets which can be benefitial for domains with a small corpus of labelled data. Our model learns a continuous, well organized latent space (LS) that enables de-novo generation of copolymer structures including different monomer stoichiometries and chain architectures. In an inverse design case study, we demonstrate our model for in-silico discovery of novel conjugated copolymer photocatalysts for hydrogen production using optimization of the polymer's electron affinity and ionization potential in the latent space.