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Proceedings of the 2025 ACM/SIGDA International Symposium on Field Programmable Gate Arrays

作者： Ismail Erbas Aporva Amarnath Vikas Pandey Karthik Swaminathan Naigang Wang Xavier Intes Center for Modeling Simulation & Imaging in Medicine Rensselaer Polytechnic Institute Troy NY USA IBM T.J. Watson Research Center Yorktown Heights USA

ISBN: (纸本)9798400713965

Fluorescence lifetime imaging (FLI) is a widely used technique in the biomedical field for measuring the decay times of fluorescent molecules, providing insights into metabolic states, protein interactions, and ligand-receptor bindings [1, 5]. However, its broader application in fast biological processes, such as dynamic activity monitoring, and clinical use, such as in guided surgery, is limited by long data acquisition times and computationally demanding data processing. While deep learning has reduced post-processing times, time-resolved data acquisition remains a bottleneck for real-time applications. To address this,we propose a method to achieve near realtime FLI using an FPGA-based hardware accelerator. Specifically,we implemented a GRU-based sequence-to-sequence (Seq2Seq) model [3] on an FPGA board compatible with time-resolved cameras. The GRU model balances accurate processing with the resource constraints of FPGAs, which have limited DSP units and BRAM. The limited memory and computational resources on the FPGA require efficient scheduling of operations and memory allocation to deploy deep learning models for low-latency *** address these challenges by using STOMP, a queue-based discrete-event simulator that automates and optimizes task scheduling and memory management on hardware [4]. By integrating a GRU-based Seq2Seq model and its compressed version, called Seq2SeqLite [2], generated through knowledge distillation (KD), we were able to process multiple pixels in parallel, reducing latency compared to sequential processing. We explore various levels of parallelism to achieve an optimal balance between performance and resource utilization. Our results indicate that the proposed techniques achieved a 17.7x and 52.0x speedup over manual scheduling for the Seq2Seq model and the Seq2SeqLite model, respectively. Furthermore, the Seq2SeqLite model achieved a 98% reduction in parameters compared to the Seq2Seq model.

关键词： computer simulation

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A multi-strategy enhanced moth-flame optimization algorithm for complex inverse kinematics problems in series robots

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Cluster Computing 2025年第5期28卷 1-37页

作者： Liu, Jianlin Huang, Haisong Fan, Qingsong Ma, Chi Key Laboratory of Advanced Manufacturing Technology Ministry of Education Guizhou University Guizhou Guiyang550025 China Guizhou Equipment Manufacturing Digital Workshop Modeling and Simulation Engineering Research Center Guizhou Guiyang550025 China State Key Laboratory of Intelligent Manufacturing Equipment and Technology Huazhong University of Science and Technology Wuhan430074 China School of Institute of Automotive Engineers Hubei University of Automotive Technology Shiyan442002 China

In this study of optimizing the dynamic characteristics of the manipulator, with the increase of motion redundancy, the complexity of solving the inverse motion problem increases significantly, making it extremely challenging to develop a general analytical solution algorithm. To address this challenge, this paper introduces a multi-strategy enhanced moth-flame optimization algorithm, DMFO. Firstly, the uneven initialization of MFO limits its comprehensive initial search capability and leads to slow convergence speed. Consequently, it lacks competitiveness in specific engineering problems. The mutation chaos strategy, quantum evolution strategy and precise elimination strategy are used to improve the formation of DMFO. Secondly, DMFO and eight meta-heuristic algorithms (GA, PSO, ABC, MFO, DE, WO, BKA, COA) are tested on CEC2017, demonstrating its superior local and global exploitation and exploration capabilities. Then these kinematics models of 4,6,7-DOF manipulators is established based on DH method, and the objective function is derived from the forward motion equation. The effectiveness of DMFO in solving the inverse kinematics of robot arms is validated through its application. Finally, the engineering verification is carried out on the manipulator UR16e, which highlights the success of DMFO in addressing the inverse motion problem of multi-DOF serial robots. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2024.

关键词： Inverse kinematics

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Machine learning for membrane bioreactor research:principles,methods,applications,and a tutorial

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Frontiers of Environmental Science & Engineering 2025年第3期19卷 119-144页

作者： Yizhe Lai Kang Xiao Yifan He Xian Liu Jihua Tan Wenchao Xue Aiqian Zhang Xia Huang Beijing Yanshan Earth Critical Zone National Research Station College of Resources and EnvironmentUniversity of Chinese Academy of SciencesBeijing 101408China Key Laboratory of Earth System Numerical Modeling and Application University of Chinese Academy of SciencesBeijing 101408China Environmental Chemistry Faculty College of Resources and EnvironmentUniversity of Chinese Academy of SciencesBeijing 101408China State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China Department of Energy Environmentand Climate ChangeSchool of EnvironmentResourcesand DevelopmentAsian Institute of TechnologyP.O.Box 4Klong LuangPathumthani 12120Thailand State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China

Membrane fouling poses a significant challenge to the sustainable development of membrane bioreactor(MBR)technologies for wastewater *** accurate prediction of the membrane filtration process is of great importance for identifying and controlling *** learning methods address the limitations of traditional statistical approaches,such as low accuracy,poor generalization ability,and slow convergence,particularly in predicting complex filtration and fouling processes within the realm of big *** article provides an in-depth exposition of machine learning *** study then reviews advances in MBRs that utilize machine learning methods,including artificial neural networks(ANN),support vector machines(SVM),decision trees,and ensemble *** on current literature,this study summarizes and compares the model input and output characteristics(including foulant characteristics,solution environments,filtration conditions,operating conditions,and time factors),as well as the selection of models and optimization *** modeling procedures of SVM,random forest(RF),back propagation neural network(BPNN),long short-term memory(LSTM),and genetic algorithm-back propagation(GA-BP)methods are elucidated through a tutorial *** simulation results demonstrated that all five methods yielded accurate predictions with R2>***,the existing challenges in the implementation of machine learning models in MBRs were *** is notable that integration of deep learning,automated machine learning(AutoML)and explainable artificial intelligence(XAI)may facilitate the deployment of models in practical engineering *** insights presented here are expected to facilitate the establishment of an intelligent control framework for MBR processes in future endeavors.

关键词： Membrane bioreactor Machine learning Pollutant removal Membrane fouling Model prediction

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An online clustering-based optimal distributed damping controller design

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Electric Power Systems research 2025年 247卷

作者： Atarodi, Azin Golpîra, Hêmin Bevrani, Hassan Power Systems Modeling & Simulation Lab. Department of Electrical Engineering University of Kurdistan Sanandaj15175-66177 Iran Smart/Micro Grids Research Center Department of Electrical Engineering University of Kurdistan Sanandaj15175-66177 Iran

Inter-area low-frequency oscillations with poor damping have long presented challenges in interconnected power systems, leading to the development of various damping control strategies. This paper introduces a novel method for designing Optimally Distributed Damping Control (ODDC) to enhance the damping ratios of critical inter-area modes while minimizing communication links, thereby increasing system stability. The non-convex nature of structural constraints adds complexity to identifying the optimal communication topology among control units in distributed frameworks. To address this, a computationally efficient Semi-Definite Programming (SDP) relaxation technique is applied to solve the non-convex ODDC problem. Additionally, a combined clustering framework is proposed to dynamically update controller coefficients based on mode identification using wide-area measurement data, ensuring effective damping of inter-area oscillations. The IEEE New England 39-bus system, simulated in MATLAB, serves as the validation platform, demonstrating the ODDC method's effectiveness. simulation results indicate that an optimal distributed configuration with a single communication link substantially enhances small-signal stability. Moreover, the adaptive updating module successfully provides new coefficients to restore adequate damping ratios when pre-designed controllers lose effectiveness under varying operating conditions. © 2025 Elsevier B.V.

关键词： Distributed parameter control systems

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Mapping paddy rice in northeast China with a knowledge-based algorithm and time series optical, microwave, and thermal imagery

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Frontiers of Earth Science 2025年 1-16页

作者： Zhang, Chenchen Xiao, Xiangming Wang, Xinxin Qin, Yuanwei Doughty, Russell Yang, Xuebin Meng, Cheng Yao, Yuan Dong, Jinwei School of Biological Sciences Center for Earth Observation and Modeling University of Oklahoma Norman 73019 OK United States Key Laboratory for Biodiversity Science and Ecological Engineering National Observations and Research Station for Wetland Ecosystems of the Yangtze Estuary (Ministry of Education) Institute of Biodiversity Science and Institute of Eco-Chongming School of Life Sciences Fudan University Shanghai 200438 China College of Geography and Remote Sensing Hohai University Nanjing 211100 China College of Atmospheric and Geographic Sciences University of Oklahoma Norman 73019 OK United States Geography and the Environment Department Syracuse University Syracuse 13244 NY United States Key Laboratory of Land Surface Pattern and Simulation Institute of Geographic Sciences and Natural Resources Research Chinese Academy of Sciences Beijing 100101 China

Accurate and timely large-scale paddy rice maps with remote sensing are essential for crop monitoring and management and are used for assessing its impacts on food security, water resource management, and transmission of zoonotic infectious diseases. Optical image-based paddy rice mapping studies employed the unique spectral feature during the flooding/transplanting period of paddy rice. However, the lack of high-quality observations during the flooding/transplanting stage caused by rain and clouds and spectral similarity between paddy rice and natural wetlands often introduce errors in paddy rice identification, especially in paddy rice and wetland coexistent areas. In this study, we used a knowledge-based algorithm and time series observation from optical images (Sentinel-2 and Landsat 7/8) and microwave images (Sentinel-1) to address these issues. The final 10-m paddy rice map had user’s accuracy, producer’s accuracy, F1-score, and overall accuracy of 0.91 ± 0.004, 0.74 ± 0.010, 0.82, and 0.98 ± 0.001 (± value is the standard error), respectively. Over half (62.0%) of the paddy rice pixels had a confidence level of 1 (detected by both optical images and microwave images), while 38.0% had a confidence level of 0.5 (detected by either optical images or microwave images). The estimated paddy rice area in northeast China for 2020 was 60.83 ± 0.86 × 10³ km². Provincial and municipal rice areas in our data set agreed well with other existing paddy rice data sets and the Agricultural Statistical Yearbooks. These findings indicate that knowledge-based paddy rice mapping algorithms and a combination of optical and microwave images hold great potential for timely and frequently accurate paddy rice mapping in large-scale complex landscapes. © Higher Education Press 2025.

关键词： confidence map flooding signal knowledge-based algorithm paddy rice rice-wetland coexistence area

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QNBO: QUASI-NEWTON MEETS BILEVEL OPTIMIZATION

arXiv

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arXiv 2025年

作者： Fang, Sheng Liu, Yong-Jin Yao, Wei Yu, Chengming Zhang, Jin Public Health School Fujian Medical University China School of Mathematics and Statistics Fuzhou University China Center for Applied Mathematics of Fujian Province China National Center for Applied Mathematics Shenzhen SUSTech China Department of Mathematics SUSTech China School of Science BUPT China CETC Key Laboratory of Smart City Modeling Simulation and Intelligent Technology The Smart City Research Institute of CETC China

Bilevel optimization, addressing challenges in hierarchical learning tasks, has gained significant interest in machine learning. The practical implementation of the gradient descent method to bilevel optimization encounters computational hurdles, notably the computation of the exact lower-level solution and the inverse Hessian of the lower-level objective. Although these two aspects are inherently connected, existing methods typically handle them separately by solving the lower-level problem and a linear system for the inverse Hessian-vector product. In this paper, we introduce a general framework to address these computational challenges in a coordinated manner. Specifically, we leverage quasi-Newton algorithms to accelerate the resolution of the lower-level problem while efficiently approximating the inverse Hessian-vector product. Furthermore, by exploiting the superlinear convergence properties of BFGS, we establish the non-asymptotic convergence analysis of the BFGS adaptation within our framework. Numerical experiments demonstrate the comparable or superior performance of the proposed algorithms in real-world learning tasks, including hyperparameter optimization, data hyper-cleaning, and few-shot meta-learning. Copyright © 2025, The Authors. All rights reserved.

关键词： Linear systems

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AB-INITIO STUDIES OF CYCLIC WATER CLUSTERS (H2O)N, N = 1-6 .1. OPTIMAL STRUCTURES AND VIBRATIONAL-SPECTRA

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JOURNAL OF CHEMICAL PHYSICS 1993年第11期99卷 8774-8792页

作者： XANTHEAS, SS DUNNING, TH Theory Modeling and Simulation Molecular Science Research Center Pacific Northwest Laboratory Richland Washington 99352

The optimal structures and harmonic vibrational frequencies of cyclic water clusters, (H2O)n, have been determined at the Hartree-Fock (for n = 2-6) and second order perturbation theory (for n = 2-4) levels of theory with an augmented correlation consistent double zeta basis set. At the MP2 level this basis set yields very accurate results for the structure, dipole moment, and polarizability of the water monomer as well as results of comparable accuracy for the structure, binding energy, and harmonic vibrational frequencies of the water dimer. The optimal structure of (H2O)4 and the harmonic frequencies of (H2O)3,4 are the first ones reported at a correlated level for these species. Analysis of the structural trends reveals that the separation between neighboring oxygen atoms decreases exponentially with increasing cluster size. The predicted R0(O-O) for the ring hexamer is less than 0.02 angstrom shorter than the interoxygen separation in ice Ih. Furthermore, the trends in the harmonic vibrational frequencies suggest that, for large clusters, the intramolecular bends are blue shifted by approximately 70 cm-1 with respect to the monomer frequency. The frequencies corresponding to the ''free'' OH stretches show little (less-than-or-equal-to 50 cm-1) shift to the blue for n = 2-6, whereas the ones corresponding to the ''bridge'' hydrogens are shifted to the red by approximately 500 cm-1 with respect to the average of the harmonic stretching frequencies in water.

关键词： AB INITIO CALCULATIONS WATER MOLECULAR CLUSTERS OPTIMIZATION GEOMETRY VIBRATIONAL STATES HARMONIC OSCILLATORS HARTREE?FOCK METHOD PERTURBATION THEORY DIPOLE MOMENTS POLARIZABILITY

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Mechanical performance of recycled PVC window frames: An experimental and numerical investigation

Hybrid Advances

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Hybrid Advances 2025年 9卷

作者： Ait Khouya, Oumaima Sebbar, EL Hassan Elfarissi, Latifa Laaroussi, Najma University Hassan II of Casablanca Laboratory of modeling and Simulation of Intelligent Industrial Systems ENSET Mohammedia Morocco Technical Center of Plastic and Rubber Casablanca Morocco Institute for Research in Solar Energy and New Energies-IRESEN Morocco University Mohammed V in Rabat Material Energy and Acoustics Team (MEAT) EST Salé Morocco

PVC window frames are commonly used in the construction industry due to their durability, low cost, and ease of maintenance. However, with growing environmental concerns and the shift towards a circular economy, replacing virgin PVC with recycled materials in such applications has become a critical area of research. The recycling process as well as the source of waste, highly impact the quality of the recycled materials which limits its use in high-quality products. This study investigates the mechanical characterization of window profiles made from recycled PVC, focusing on their ability to withstand structural loads. Given that window frames are exposed to wind forces and building loads, ensuring their mechanical resistance is essential. The bending and tensile behavior of recycled PVC specimens were tested experimentally and numerically to assess the structural performance of the material under different loading conditions. A comparison between the results of numerical finite element simulations and those of experiments has been carried out to validate the findings. The results show that recycled PVC offers adequate mechanical and thermal performance for use in the manufacture of window profiles. © 2025

关键词： Circular economy Plastic recycling PVC PVC profile Window frame

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THEORETICAL-STUDIES OF SULFUROUS SPECIES OF IMPORTANCE IN ATMOSPHERIC CHEMISTRY .1. CHARACTERIZATION OF THE HSO AND SOH ISOMERS

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JOURNAL OF PHYSICAL CHEMISTRY 1993年第25期97卷 6616-6627页

作者： XANTHEAS, SS DUNNING, TH Theory Modeling and Simulation Molecular Science Research Center Pacific Northwest Laboratory Richland WA 99352 United States

The molecular structures, relative energies, and vibrational frequencies of the two stable isomers formed by the addition of (H(S))-S-2 to SO(X3SIGMA-), namely, HSO and SOH, are computed using multiconfiguration wave functions and correlation-consistent basis sets of up to quintuple zeta quality. Contrary to results from previous calculations, the HSO isomer is predicted to be more stable than the SOH isomer by 5.4 kcal/mol. The barrier for the migration of the H atom between the two isomers is computed to be 46.3 kcal/mol. The transition state for the isomerization of the two species lies below the dissociation limit to H(S-2) and SO(X3SIGMA-), which is calculated to be 56.2 kcal/mol above the HSO minimum. The minimum energy paths corresponding to the addition of H(S-2) to SO(X3SIGMA-) to form HSO and SOH are also computed;a barrier of 2.4 kcal/mol is predicted for the addition of hydrogen to the oxygen side of SO. Finally, upper limits for DELTAH(f)-degrees-298 for HSO and SOH are estimated at -6.1 +/- 1.3 and -0.7 +/- 1.3 kcal/mol, respectively. The latter implies that HSO can be involved in a catalytic cycle that depletes ozone in the atmosphere.

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COMPUTER-simulationS OF NACL ASSOCIATION IN POLARIZABLE WATER

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JOURNAL OF CHEMICAL PHYSICS 1994年第5期100卷 3757-3766页

作者： SMITH, DE DANG, LX Theory Modeling and Simulation Molecular Science Research Center Pacific Northwest Laboratory Richland Washington 99352

Classical molecular dynamics computer simulations have been used to investigate the thermodynamics and kinetics of sodium chloride association in polarizable water. The simulations make use of the three-site polarizable water model of Dang [J. Chem. Phys. 97, 2659 (1992)], which accurately reproduces many bulk water properties. The model's static dielectric constant and relaxation behavior have been calculated and found to be in reasonable agreement with experimental results. The ion-water interaction potentials have been constructed through fitting to both experimental gas-phase binding enthalpies for small ion-water clusters and to the measured structures and solvation enthalpies of ionic solutions. Structural properties and the potential of mean force for sodium chloride in water have been calculated. In addition, Grote- Hynes theory has been used to predict dynamical features of contact ion-pair dissociation. All of the calculated ionic solution properties have been compared with results from simulations using the extended simple point charge (SPC/E), nonpolarizable water model [J. Phys. Chem. 91, 6296 (1987)]. The dependence on polarizability is found to be small, yet measurable, with the largest effects seen in the solvation structure around the highly polarizable chlorine anion. This work validates the use of some nonpolarizable water models in simulations of many condensed-phase systems of chemical and biochemical interest.

关键词： ASSOCIATION COMPUTERIZED simulation CLASSICAL MECHANICS THERMODYNAMICS KINETICS SODIUM CHLORIDES WATER POLARIZABILITY POTENTIALS ION?MOLECULE COLLISIONS ENTHALPY STRUCTURE FACTORS

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