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GEP-DL4Mol: A Novel Molecular Deep-learning Model Optimization Framework for Boosting Molecular Properties Prediction

GEP-DL4Mol: A Novel Molecular Deep-learning Model Optimizati...

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2023 ieee International conference on Bioinformatics and Biomedicine, BIBM 2023

作者： Peng, Yuzhong Zhang, Hao Zhang, Ziqiao Lin, Yanmei Zhou, Shuigeng Qiao, Shaojie Nanning Normal University Guangxi Key Lab of Human-Machine Interaction and Intelligent Decision Nanning China Chinese Academy of Sciences Shenzhen Institute of Advanced Technology Shenzhen China Fudan University Shanghai Key Lab of Intelligent Information Processing Shanghai China Nanning Normal University Undergraduate College Nanning China Chengdu University of Information Technology School of Software Engineering Chengdu China

ISBN: (纸本)9798350337488

High-performance molecular property prediction is one of the essential problems in many research fields. Although Deep Learning models (DLMs) have the strong potential to predict molecular property, the search space of their neural structure and hyperparameters is too huge to enumerate all possibilities, which implies that one will be difficult to get a optimal configuration solution, or even build a DLM with poor performance. To tackle the aforementioned problem, we first abstractly map various types of supervised DLMs for chemical molecular property prediction under a unified molecular DLM conceptualization. Then, we develop a self-learning molecular DLMs construction and optimization framework, called GEP-DL4Mol, based on the unified supervised molecular DLM conceptualization and Gene Expression programming. Experiments on eight benchmark datasets including 19 property prediction tasks were conducted to evaluate the performance of the proposed method. Experimental results show that the proposed method outperforms other methods. © 2023 ieee.

关键词： deep learning deep neural network optimization gene expression programming hyper-parameter optimization molecular modeling Molecular property prediction

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Secure and Efficient Mobile DNN Using Trusted Execution Environments 23

Secure and Efficient Mobile DNN Using Trusted Execution Envi...

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18th ACM ASIA conference on Computer and Communications Security (ASIA CCS)

作者： Hu, Bin Wang, Yan Cheng, Jerry Zhao, Tianming Xie, Yucheng Guo, Xiaonan Chen, Yingying Rutgers State Univ Piscataway NJ 08855 USA Temple Univ Temple TX USA New York Inst Technol New York NY USA Univ Dayton Dayton OH USA Indiana Univ Purdue Univ Indiana PA USA George Mason Univ Fairfax VA USA

ISBN: (纸本)9798400700989

Many mobile applications have resorted to deep neural networks (DNNs) because of their strong inference capabilities. Since both input data and DNN architectures could be sensitive, there is an increasing demand for secure DNN execution on mobile devices. Towards this end, hardware-based trusted execution environments on mobile devices (mobile TEEs), such as ARM TrustZone, have recently been exploited to execute CNN securely. However, running entire DNNs on mobile TEEs is challenging as TEEs have stringent resource and performance constraints. In this work, we develop a novel mobile TEE-based security framework that can efficiently execute the entire DNN in a resource-constrained mobile TEE with minimal inference time overhead. Specifically, we propose a progressive pruning to gradually identify and remove the redundant neurons from a DNN while maintaining a high inference accuracy. Next, we develop a memory optimization method to deallocate the memory storage of the pruned neurons utilizing the low-level programming technique. Finally, we devise a novel adaptive partitioning method that divides the pruned model into multiple partitions according to the available memory in the mobile TEE and loads the partitions into the mobile TEE separately with a minimal loading time overhead. Our experiments with various DNNs and open-source datasets demonstrate that we can achieve 2-30 times less inference time with comparable accuracy compared to existing approaches securing entire DNNs with mobile TEE.

关键词： network Pruning TEE DNN Security in Machine Learning

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17th International Scientific conference on Parallel Computational Technologies, PCT 2023

17th International Scientific Conference on Parallel Computa...

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17th International Scientific conference on Parallel Computational Technologies, PCT 2023

ISBN: (纸本)9783031388637

The proceedings contain 25 papers. The special focus in this conference is on Parallel Computational Technologies. The topics include: On a Template programming Approach for Shared Memory Parallel architectures with Applications to the Fully Implicit Stokes Solver;parallel Computing in the Tikhonov Regularization Method for Solving the Inverse Problem of Chemical Kinetics;parallel Implementation of the Time-Reversal Mirror Method for Retrieving the Position and Type of a Seismic Source from Observational Data;parallel Implementation of Fast Algorithms in the Vortex Particle Method;Implementation of an Asymptotically Compact Algorithm for GPU Simulation of an Acoustic Equation;quantum-Chemical Simulation of High-Energy Azoxy Compounds;parallel Algorithms for Simulation of the Suspension Transport in Coastal Systems Based on the Explicit-Implicit and Splitting Schemes;parallel Numerical Implementation of Three-Dimensional Mathematical Models of Hydrodynamics Taking into Account Vertical Turbulent Exchange;comparison of Two Methods for Modeling the Dynamics of Gas Flows in a Protoplanetary Disk;parallel Data Preprocessing Library for Neural network Training;computer Modeling of Metal Nanoclusters and Substrate Interaction at Mesoscopic Level;supercomputer Simulation of Plasma Flow in the Diamagnetic Mode of open Magnetic Systems;computer Simulation of the Three-Dimensional Synthesis of Phase Images of Nanometer Scale Objects;a Parallel Algorithm for a Two-Phase Gas-Solid-Particle Model with Chemical Reactions and Laser Radiation;MPI-Based Computational Algorithm for Modeling a Cylindrical Catalyst Grain During Oxidative Regeneration;research of the Influence of the Thermal State of an Air-Intake Model on In-Flight Icing Conditions;An Efficient LRnLA Algorithm and Data Structure for Manycore and Multicore Computers with Hierarchical Cache;Implementation of a Fuzzy Inference Method with Nonsingleton Fuzzification Based on CUDA and GPGPU Technologies;solving the Three-Dim

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Space and Time Optimal DNN Primitive Selection with Integer Linear programming 19

Space and Time Optimal DNN Primitive Selection with Integer ...

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Proceedings of the International conference on Parallel architectures and Compilation Techniques

作者： Yuan Wen Andrew Anderson Valentin Radu Michael F.P. O'Boyle David Gregg Trinity College Dublin University of Edinburgh

ISBN: (纸本)9781728136134

Convolutional neural networks (CNNs) are used in many applications, from industrial robotics to biometric identification on mobile devices. But they can be too resource-hungry for mobile and embedded devices with tightly constrained memory and energy budgets. We propose an ahead-of-time primitive selection for CNNs, based on integer linear programming (ILP). Under a tight memory budget, our ILP solver selects the optimal primitive for each layer such that the entire network is optimized for execution time subject to a memory budget, or vice versa. Our method yields significant speedup and memory reduction compared to existing methods.

关键词： computing operators

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A Prototype-Based Framework to Design Scalable Heterogeneous SoCs with Fine-Grained DFS

A Prototype-Based Framework to Design Scalable Heterogeneous...

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ieee International conference on Computer Design: VLSI in Computers and Processors, (ICCD)

作者： Gabriele Montanaro Andrea Galimberti Davide Zoni Dipartimento di Elettronica Informazione e Bioingegneria (DEIB) Politecnico di Milano Milan Italy

ISBN: (数字)9798350380408

ISBN: (纸本)9798350380415

Frameworks for the agile development of modern system-on-chips are crucial to dealing with the complexity of de-signing such architectures. The open-source Vespa framework for designing large, FPGA-based, multi-core heterogeneous system-on-chips enables a faster and more flexible design space exploration of such architectures and their run-time optimization. Vespa, built on ESP, introduces the capabilities to instantiate multiple replicas of the same accelerator in a single network-on-chip node and to partition the system-on-chips into frequency islands with independent dynamic frequency scaling actuators, as well as a dedicated run-time monitoring infrastructure. Experiments on 4-by-4 tile-based system-on-chips demonstrate the possibility of effectively exploring a multitude of solutions that differ in the replication of accelerators, the clock frequencies of the frequency islands, and the tiles' placement, as well as monitoring a variety of statistics related to the traffic on the interconnect and the accelerators' performance at run time.

关键词： Micromechanical devices Time-frequency analysis Actuators network-on-chip Throughput Space exploration Monitoring Optimization Field programmable gate arrays Clocks

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NPB-PSTL: C++ STL Algorithms with Parallel Execution Policies in NAS Parallel Benchmarks 33

NPB-PSTL: C++ STL Algorithms with Parallel Execution Policie...

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33rd Euromicro International conference on Parallel, Distributed, and network-Based Processing, PDP 2025

作者： Loff, Junior Hoffmann, Renato B. Bianchessi, Arthur S. Mallmann, Leonardo Griebler, Dalvan Binder, Walter Faculty of Informatics Lugano Switzerland Porto Alegre Brazil

ISBN: (纸本)9798331524937

The C++ language continually evolves through formal specifications established by its standards committee, proposing new features to maintain $\mathrm{C}++$ as a relevant programming language while improving usability, performance, and portability across platforms. With the addition of parallel Standard Template Library (STL) algorithms in C++17, programmers can now leverage parallel processing capabilities via vendor-neutral parallel execution policies. This study presents an adaptation of the NAS Parallel Benchmarks (NPB) - a well-established suite of applications for evaluating parallel architectures-by porting its sequential C-style code to use C++ STL abstractions and performance-portable parallelism features. Our goals are to (1) assess the suitability of C++ STL for scientific applications like the ones in the NPB and (2) provide a comparative performance and portability of STL algorithms' parallel execution policies across different multicore architectures (x86 and AArch64). Results indicate that the performance of parallel STL algorithms is often close to that of optimized handwritten versions (openMP, Intel TBB, and FastFlow) on different architectures, with notable shortfalls. Across all NPB benchmarks, the STL algorithms' geometric mean shows sequential execution times that are between 3.76% and $\mathrm{6. 9 \%}$ higher, while parallel executions may reach a geometric mean of up to $\mathrm{2 1. 2 1 \%}$ higher execution time. © 2025 ieee.

关键词： C++ (programming language)

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Chess fortresses, a causal test for state of the art Symbolic[Neuro] architectures

Chess fortresses, a causal test for state of the art Symboli...

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ieee conference on Games (ieee CoG)

作者： Steingrimsson, Hedinn Rice Univ Elect & Comp Engn Houston TX 77005 USA

ISBN: (纸本)9781665438865

The AI community's growing interest in causality is motivating the need for benchmarks that test the limits of neural network based probabilistic reasoning and state of the art search algorithms. In this paper we present such a benchmark, chess fortresses. To make the benchmarking task as challenging as possible, we compile a test set of positions in which the defender has a unique best move for entering a fortress defense formation. The defense formation can be invariant to adding a certain type of chess piece to the attacking side thereby defying the laws of probabilistic reasoning. The new dataset enables efficient testing of move prediction since every experiment yields a conclusive outcome, which is a significant improvement over traditional methods. We carry out extensive, large scale tests of the convolutional neural networks of Leela Chess Zero [1], an open source chess engine built on the same principles as AlphaZero (AZ), which has passed AZ in chess playing ability according to many rating lists. Our results show that a novel, experimental network, which was intended for efficient endgame play, performed best despite being one of the smallest networks.

关键词： Benchmark causation intervention Deep Learning Convolutional Neural network Halting-Problem chess fortresses Monte Carlo Tree Search AlphaZero Leela Chess Zero logical reasoning human cognition material invariance

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Research on Path Connectivity Optimization Model for Active Distribution network Reconfiguration 5

Research on Path Connectivity Optimization Model for Active ...

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5th International conference on Renewable Energy and Power Engineering, REPE 2022

作者： Feng, Chen Haiqing, Lu Zhu, Tong Jun, Wu Chengyu, Lu Electric Power Research Institute of State Grid Zhejiang Electric Power Co.Ltd Hangzhou China

ISBN: (数字)9781665482066

ISBN: (纸本)9781665482066

According to the 'closed-loop design and open-loop operation' structural characteristics of the distribution network, an undirected graph method is used in this paper to describe the radial structure constraints. The operation state of the nodes should be consistent before and after the optimal reconfiguration of the active distribution network. In this paper, the concept of 'virtual demand' is defined to establish the mathematical model of the connectivity between the charged nodes and substation power supply nodes. Along with the equality that the number of closed branches is equal to the total number of nodes minus the number of substation power supply nodes, a mathematical model of path connectivity in the strict sense is built, which ensures the radial structure of the distribution network. On this basis, the optimal reconfiguration model of the distribution network is established with the objective of minimizing the active power loss, and is solved with mathematical programming. The PG&E 69-bus distribution system is used to verify the effectiveness of the proposed method. © 2022 ieee.

关键词： Mathematical programming

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Data-Driven Economic analysis of hydrogen-power coupled integrated energy system 7

Data-Driven Economic analysis of hydrogen-power coupled inte...

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7th International conference on Data Science and Information Technology, DSIT 2024

作者： Yan, Zhang Zi, Yuan Zhentao, Zhu Zhenqiang, Jin Mulan, Wang Hao, Xu Hairong, Wang Wenyi, Tan Nanjing Institute of Technology School of Economics and Management Nanjing China Nanjing Institute of Technology School of Electric Power Engineering Nanjing China Jiangsu Power Transmisson & Transformation Co. Ltd. Ministry of Industry and Technology Nanjing China Nanjing Institute of Technology School of Management Engineering Nanjing China Nanjing Institute of Technology School of Environmental Engineering Nanjing China

ISBN: (纸本)9798350384093

Energy system choices for zero-carbon parks are challenged by the drive towards a low-carbon transition. Traditional wind-power-gas integrated energy systems centred on natural gas and combined heat and power (CHP) are limited by high carbon capture and storage costs. The aim of this study is to assess the economic viability of an innovative hydrogen-electricity coupled integrated energy system centred on hydrogen production from renewable energy sources and to conduct a comparative analysis with conventional systems. The study begins with the collection of historical data on wind speed and solar radiation in the park over a number of years, which is used to analyse the output characteristics of the wind and photovoltaic systems in depth, providing a solid data base for the optimal design of the hydrogen-electric coupled system. Next, a techno-economic model was constructed to meet the park's demand for electricity, heat and transport energy. The capacity of each component in both systems was optimally configured to reduce the annualised cost of the system through a mixed integer linear programming (MILP) approach. Based on this, a comprehensive techno-economic analysis was conducted to compare the economic indicators of the two systems. The results of the analyses show that the hydrogen-electric coupling system has significant economic advantages, including a higher net present value (improved by 70.79%), a shorter payback period (reduced by 6.61%), and a higher internal rate of return. Sensitivity analyses further revealed the main factors affecting the economics of the hydrogen-electric coupling system, including the demand for hydrogen from vehicles in the park, electrolyser costs and wind turbine costs. The findings of this study provide an important reference for planning and decision-making on the energy system of a zero-carbon park and highlight the potential of hydrogen in the future energy supply of the park. © 2024 ieee.

关键词： Mixed-integer linear programming

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Integrating network Security into Software Defined networking (SDN) architectures

Integrating Network Security into Software Defined Networkin...

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Integrated Circuits and Communication Systems (ICICACS), ieee International conference on

作者： Sanjaikanth E Vadakkethil Somanathan Pillai Kiran Polimetla School of Electrical Engineering and Computer Science University Of North Dakota Grand Forks North Dakota USA Dept. of Information Technology Adobe Inc. Austin Texas USA

The decision for introduced green and cozy networking solutions has grown as the era continues to evolve. With centralized network control and programmability functions, software applications defined as networking (SDN) have emerged as a promising method to address this call. But, as SDN architectures become vaster, the need for strong community protection turns into even extra important. Integrating community protection into SDN structure includes enforcing safety mechanisms straight away into the manipulate aircraft, considering actual-time-grained manipulation over community site visitors. This may be done through protection guidelines and policies that can be dynamically completed and updated via the centralized controller. With the aid of leveraging the programmable nature of SDN, network protection may be, without troubles, tailored to satisfy the changing hazard panorama. The open API in SDN also permits integration with gift-day protection answers, firewalls, and intrusion detection systems, similarly, to improving the community’s overall safety.

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