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PS2MS: A Deep Learning-Based Prediction System for Identifying New Psychoactive Substances Using Mass Spectrometry

Analytical Chemistry 2024年第12期96卷 4835-4844页

作者： Lin, Yi-Ching Chien, Wei-Chen Wang, Yu-Xuan Wang, Ying-Hau Yang, Feng-Shuo Tseng, Li-Ping Hung, Jui-Hung Department of Laboratory Medicine Kaohsiung Medical University Hospital Kaohsiung Medical University Kaohsiung807 Taiwan Department of Laboratory Medicine School of Medicine College of Medicine Kaohsiung Medical University Kaohsiung807 Taiwan Doctoral Degree Program of Toxicology College of Pharmacy Kaohsiung Medical University Kaohsiung807 Taiwan Department of Medical Research Kaohsiung Medical University Hospital Kaohsiung Medical University Kaohsiung807 Taiwan Department of Computer Science National Yang Ming Chiao Tung University HsinChu300 Taiwan Department of Medicinal and Applied Chemistry Kaohsiung Medical University Kaohsiung807 Taiwan Program in Biomedical Artificial Intelligence National Tsing Hua University HsinChu300 Taiwan

The rapid proliferation of new psychoactive substances (NPS) poses significant challenges to conventional mass-spectrometry-based identification methods due to the absence of reference spectra for these emerging substances. This paper introduces PS2MS, an AI-powered predictive system designed specifically to address the limitations of identifying the emergence of unidentified novel illicit drugs. PS2MS builds a synthetic NPS database by enumerating feasible derivatives of known substances and uses deep learning to generate mass spectra and chemical fingerprints. When the mass spectrum of an analyte does not match any known reference, PS2MS simultaneously examines the chemical fingerprint and mass spectrum against the putative NPS database using integrated metrics to deduce possible identities. Experimental results affirm the effectiveness of PS2MS in identifying cathinone derivatives within real evidence specimens, signifying its potential for practical use in identifying emerging drugs of abuse for researchers and forensic experts. © 2024 The Authors. Published by American Chemical Society.

关键词： Mass spectrometry

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Imaging atomic-scale chemistry from fused multi-modal electron microscopy

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npj Computational Materials 2022年第1期8卷 164-171页

作者： Jonathan Schwartz Zichao Wendy Di Yi Jiang Alyssa J.Fielitz Don-Hyung Ha Sanjaya D.Perera Ismail El Baggari Richard D.Robinson Jeffrey A.Fessler Colin Ophus Steve Rozeveld Robert Hovden Department of Materials Science and Engineering University of MichiganAnn ArborMIUSA Mathematics and Computer Science Division Argonne National LaboratoryLemontILUSA Advanced Photon Source Facility Argonne National LaboratoryLemontILUSA Dow Chemical Co. MidlandMIUSA Department of Material Science and Engineering Cornell UniversityIthacaNew YorkUSA School of Integrative Engineering Chung-Ang UniversitySeoulRepublic of Korea Department of Physics Cornell UniversityIthacaNYUSA The Rowland Institute at Harvard CambridgeMAUSA Department of Electrical Engineering and Computer Science University of MichiganAnn ArborMIUSA National Center for Electron Microscopy Lawrence Berkeley National LaboratoryMolecular FoundryBerkeleyCAUSA Applied Physics Program University of MIchiganAnn ArborMIUnited States

Efforts to map atomic-scale chemistry at low doses with minimal noise using electron microscopes are fundamentally limited by inelastic ***,fused multi-modal electron microscopy offers high signal-to-noise ratio(SNR)recovery of material chemistry at nano-and atomic-resolution by coupling correlated information encoded within both elastic scattering(high-angle annular dark-field(HAADF))and inelastic spectroscopic signals(electron energy loss(EELS)or energy-dispersive x-ray(EDX)).By linking these simultaneously acquired signals,or modalities,the chemical distribution within nanomaterials can be imaged at significantly lower doses with existing detector *** many cases,the dose requirements can be reduced by over one order of *** high SNR recovery of chemistry is tested against simulated and experimental atomic resolution data of heterogeneous nanomaterials.

关键词： materials chemistry fused

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Phortex: Physically-Informed Operational Robotic Trajectories for Scientific Expeditions

IEEE Transactions on Field Robotics

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IEEE Transactions on Field Robotics 2024年 1卷 446-475页

作者： Victoria L. Preston Genevieve E. Flaspohler John W. Fisher Anna P. M. Michel Nicholas Roy Applied Ocean Physics and Engineering Massachusetts Institute of Technology and Woods Hole Oceanographic Institution Joint Program Cambridge MA USA Olin College of Engineering Needham MA USA Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge MA USA Rhiza Research Oakland CA USA Computer Science and Artificial Intelligence Laboratory Massachusetts Institute of Technology Cambridge MA USA Applied Ocean Physics and Engineering Woods Hole Oceanographic Institution Woods Hole MA USA

Mobile robots are increasingly used to collect valuable in situ samples during scientific expeditions. However, many phenomena of scientific interest—deep-sea hydrothermal plumes, algal blooms, warm-core eddies, and lava flows—are spatiotemporal distributions that evolve on spatial and temporal scales that complicate sample collection. Here, we consider the problem of charting the space-time dynamics of deep-sea hydrothermal plumes with the state-of-the-art autonomous underwater vehicle (AUV) Sentry. In the hydrothermal plume charting problem, the plume state is driven by complicated and unobserved dynamics in the deep sea. To effectively sample the moving plume, an autonomy system must infer plume dynamics from sparse, point observations, while respecting operational constraints of AUV Sentry that restrict the set of possible trajectories to nonadaptive, uniform-coverage patterns. We frame the plume charting problem as a sequential decision-making problem, and formulate a mission planner Phortex: physically-informed operational robotic trajectories for expeditions that strategically designs full mission trajectories for Sentry, where each mission plan is informed by the observations of the last. Phortex is composed of a trajectory optimizer that maximizes expected samples collected within a moving plume, and Phumes: physically-informed uncertainty models for environment spatiotemporality, a modeling framework that leverages an embedded simulator of idealized plume physics as an inductive bias to enable dynamics learning from extreme partial observations and few Sentry deployments. In both simulation and in field trials at a hydrothermal site in the Gulf of California, we demonstrate that Sentry using Phortex learns to track a moving hydrothermal plume and gather samples that significantly improve upon baseline spatial and temporal diversity for use in downstream science tasks.

关键词： Trajectory Robots Robot sensing systems Vehicle dynamics Spatiotemporal phenomena Predictive models Decision making Uncertainty Data models

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An Optimal Framework for SDN Based on Deep Neural Network

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computers, Materials & Continua 2022年第10期73卷 1125-1140页

作者： Abdallah Abdallah Mohamad Khairi Ishak Nor Samsiah Sani Imran Khan Fahad RAlbogamy Hirofumi Amano Samih M.Mostafa Department of Industrial Engineering School of Applied Technical Sciences German Jordanian UniversityAmman35247Jordan School of Electrical and Electronic Engineering Universiti Sains MalaysiaNibong Tebal14300Malaysia Center for Artificial Intelligence Technology Faculty of Information Science and TechnologyThe National University of Malaysia(UKM)Bangi43600SelangorMalaysia Department of Electrical Engineering University of Engineering and TechnologyPeshawar814Pakistan Turabah University College Computer Sciences ProgramTaif UniversityTaif21944Saudi Arabia Research Institute for Information Technology Kyushu UniversityFukuoka819-0395Japan Computer Science-Mathematics Department Faculty of ScienceSouth Valley UniversityQena83523Egypt

Software-defined networking(SDN)is a new paradigm that promises to change by breaking vertical integration,decoupling network control logic from the underlying routers and switches,promoting(logical)network control centralization,and introducing network ***,the controller is similarly vulnerable to a“single point of failure”,an attacker can execute a distributed denial of service(DDoS)attack that invalidates the controller and compromises the network security in *** address the problem of DDoS traffic detection in SDN,a novel detection approach based on information entropy and deep neural network(DNN)is *** approach contains a DNN-based DDoS traffic detection module and an information-based entropy initial inspection *** initial inspection module detects the suspicious network traffic by computing the information entropy value of the data packet’s source and destination Internet Protocol(IP)addresses,and then identifies it using the DDoS detection module based on *** assaults were found when suspected irregular traffic was *** reveal that the algorithm recognizes DDoS activity at a rate of more than 99%,with a much better accuracy *** false alarm rate(FAR)is much lower than that of the information entropy-based detection ***,the proposed framework can shorten the detection time and improve the resource utilization efficiency.

关键词： Deep neural network computer networks data security optimization

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Engineering dimensionality of collective dipole-dipole interactions using a nanophotonic environment

Engineering dimensionality of collective dipole-dipole inter...

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2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Boddeti, Ashwin K. Wang, Yi Juarez, Xitlali Boltasseva, Alexandra Alaeian, Hadiseh Odom, Teri W. Jacob, Zubin Elmore Family School of Electrical and Computer Engineering Birck Nanotechnology Center Purdue University West LafayetteIN47907 United States Graduate Program in Applied Physics Northwestern University EvanstonIL60208 United States Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Department of Chemistry Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States

ISBN: (纸本)9781957171258

We experimentally demonstrate reduced dimensionality in a interacting ensemble of emitters. The well-known stretched exponential decay dynamics, (Equation presented) with β = 0.5 in 3D geometries, is strikingly modified in a nanophotonic environment that supports long-range interaction to β ~ 0.3. © Optica Publishing Group 2023.

关键词： Nanophotonics

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Design of Drone Remote-Control System using Human Motion Recognition 5

Design of Drone Remote-Control System using Human Motion Rec...

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5th IEEE Eurasian Conference on Educational Innovation, ECEI 2022

作者： Chen, Shyh-Wei Lai, Yu-Chun Liu, Chia-Hui Kuo, Chin-Guo Tunghai University Department of Computer Science Taichung Taiwan Tunghai University Master Program of Digital Innovation Taichung Taiwan Chinese Culture University Department of Applied Mathematics Taipei Taiwan National Taiwan Normal University Department of Industrial Education Taipei Taiwan

ISBN: (纸本)9781665433181

At present, the most common and low-cost method to control the drone is to use a mobile phone with an APP. The operator takes his mobile phone screen as a human-machine interface, and at the same time controls and receives the images returned by the drone. The control mode can be divided into two symmetry modes according to how the operator views and knows the location of the drone: exocentric viewing and egocentric viewing mode. In the exocentric viewing mode, the operator directly visually confirms the position of the drone, while in the egocentric viewing mode, the drone is equipped with a camera and transmits the flight image to the operator in real-time. Since the drone cannot be far away from the operator in the exocentric viewing mode, the relative egocentric mode allows the operator to feel immersed in the environment to control the drone more accurately. Therefore, by adapting the egocentric viewing and using human motion recognition, an unmanned vehicle remote-control system is designed. The low-speed, small-scaled, nature-stability UAVs are ideally suited for the proposed system. The system was designed with a PID controller to improve the UAV's handling. The experimental results verified the feasibility of the UVA control system and it could stabilize the posture of the drone. © 2022 IEEE.

关键词： Drones

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Poultry raising light control system for laying hens and broilers

Poultry raising light control system for laying hens and bro...

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Cybernetics and Innovations (ICCI), International Conference on

作者： Thidarat Pinthong Thittaporn Ganokratanaa Department. of Business Information Management Phetchaburi Rajabhat University Phetchaburi Thailand Applied Computer Science Program King Mongkut's University of Technology Thonburi Bangkok Thailand

Chicken is an economic animal. one kind At present, it has been raised as a business and has expanded extensively. This is because both domestic and foreign populations have a greater demand for products and processed products from laying hens. which the raising of laying hens must be more attention to the productivity and quality of eggs in order to meet the needs of consumers with high or low temperatures Too low has an effect on the physiological system of laying hens. Reduce egg production or may result in inefficient production. And with the aforementioned problems, technology has been used to help in notifying. Warn whether the temperature in the house is suitable to increase the production of high-quality eggs.

关键词： Productivity Time-frequency analysis Technological innovation Animals Sleep Sociology Morphology

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Blending Lossy and Lossless Data Compression Methods to Support Health Data Streaming in Smart Cities

SSRN

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SSRN 2024年

作者： Andrade, Alexandre da Costa, Cristiano André Roehrs, Alex Muchaluat-Saade, Debora Christina Righi, Rodrigo da Rosa Applied Computing Program Universidade do Rio dos Sinos RS São Leopoldo Brazil Computer Science Department Universidade Federal Fluminense RJ Niterói Brazil Software Innovation Laboratory - SOFTWARELAB

The digital transformation process has significantly boosted the widespread adoption of telemedicine and the utilization of wearable devices for monitoring vital signs. However, implementing a system for continuous monitoring of the population's vital signs, with data being streamed from various locations within a smart city context, faces significant challenges. These challenges are related to bandwidth, latency, and storage capacity due to the large volume of data. To overcome these challenges, a common practice consists in modeling an edge-fog-cloud layered architecture. The literature lacks software solutions capable of managing the simultaneous transmission of various vital signs data, coming from individuals geographically distributed, while maintaining the ability to promptly issue alerts and generate health notifications. In this context, we propose the VSAC (Vital Sign Adaptive Compressor) model, which combines lossy and lossless data compression algorithms in a layered architecture to support healthcare demands in a smart city. The main contribution is how we blend both strategies: we first use lossy compression to collect only valuable vital sign data for each individual, applying lossless algorithms afterwards to reduce the number of bytes before sending it to higher layers. We provide a protocol that facilitates the collection of heterogeneous data distributed across different city regions, providing real-time processing. A prototype was developed to evaluate the model and its performance in various load scenarios. The results indicate that orchestrating two data compression algorithms is more efficient than conventional data reduction methods, showing gains up to 46\% when measuring the compression rate metric. © 2024, The Authors. All rights reserved.

关键词： Electronic health record

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UNRAVELING THE GEOGRAPHY OF INFECTION SPREAD: HARNESSING SUPER-AGENTS FOR PREDICTIVE MODELING

arXiv

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arXiv 2023年

作者： Sikaroudi, Amir Mohammad Esmaieeli Efrat, Alon Chertkov, Michael Computer Science Department University of Arizona TucsonAZ85721 United States Program in Applied Mathematics Department of Mathematics University of Arizona TucsonAZ85721 United States

Our study presents an intermediate-level modeling approach that bridges the gap between complex Agent-Based Models (ABMs) and traditional compartmental models for infectious diseases. We introduce "super-agents" to simulate infection spread in cities, reducing computational complexity while retaining individual-level interactions. This approach leverages real-world mobility data and strategic geospatial tessellations for efficiency. Voronoi Diagram tessellations, based on specific street network locations, outperform standard Census Block Group tessellations, and a hybrid approach balances accuracy and efficiency. Benchmarking against existing ABMs highlights key optimizations. This research improves disease modeling in urban areas, aiding public health strategies in scenarios requiring geographic specificity and high computational efficiency. Copyright © 2023, The Authors. All rights reserved.

关键词： Complex networks

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Why current rain denoising models fail on CycleGAN created rain images in autonomous driving

arXiv

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arXiv 2023年

作者： Kranl, Michael Ramsauer, Hubert Knapp, Bernhard Department of Computer Science Artificial Intelligence Engineering Program University of Applied Sciences Technikum Wien Vienna Austria Institute for Machine Learning Johannes Kepler University Linz Austria

One of the main tasks of an autonomous agent in a vehicle is to correctly perceive its environment. Much of the data that needs to be processed is collected by optical sensors such as cameras. Unfortunately, the data collected in this way can be affected by a variety of factors, including environmental influences such as inclement weather conditions (e.g., rain). Such noisy data can cause autonomous agents to take wrong decisions with potentially fatal outcomes. This paper addresses the rain image challenge by two steps: First, rain is artificially added to a set of clear-weather condition images using a Generative Adversarial Network (GAN). This yields good/bad weather image pairs for training de-raining models. This artificial generation of rain images is sufficiently realistic as in 7 out of 10 cases, human test subjects believed the generated rain images to be real. In a second step, this paired good/bad weather image data is used to train two rain denoising models, one based primarily on a Convolutional Neural Network (CNN) and the other using a Vision Transformer. This rain de-noising step showed limited performance as the quality gain was only about 15%. This lack of performance on realistic rain images as used in our study is likely due to current rain de-noising models being developed for simplistic rain overlay data. Our study shows that there is ample space for improvement of de-raining models in autonomous *** Codes I.4 © 2023, CC BY-NC-SA.

关键词： Rain

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