Results 111 to 120 of about 209,152 (323)

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

Advanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen, Chiku Parida, Jonas Busk, Jin Hyun Chang, Arghya Bhowmik, Juan Maria Garcia Lastra   +5 more
wiley   +1 more source

Real‐Time Multicolor Fluorescence Microscopy via Cross‐Channel Acquisition and Deep‐Learning‐Based Inference

Advanced Intelligent Discovery, EarlyView.
Sequential multicolor fluorescence imaging in dynamic microsystems is constrained by acquisition speed and excitation dose. This study introduces a real‐time framework to reconstruct spectrally separated channels from reduced cross‐channel acquisitions (frames containing mixed spectral contributions).
Juan J. Huaroto, Yuxin Jin, Nicholas Roy, Sarthak Misra   +3 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Validating large-scale quantum machine learning: efficient simulation of quantum support vector machines using tensor networks

Machine Learning: Science and Technology
We present an efficient tensor-network-based approach for simulating large-scale quantum circuits exemplified by quantum support vector machines (QSVMs).
Kuan-Cheng Chen, Tai-Yue Li, Yun-Yuan Wang, Simon See, Chun-Chieh Wang, Robert Wille, Nan-Yow Chen, An-Cheng Yang, Chun-Yu Lin   +8 more
doaj   +1 more source

Harnessing Digital Microstructure for Simulation‐Guided Optimization of Permanent Magnets

Advanced Intelligent Discovery, EarlyView.
An experimental‐to‐computational workflow is presented that transforms experimental 3D focused ion beam‐scanning electron microscopy data into a simulation‐ready digital microstructure for multiphase functional materials. Using heavy‐rare‐earth‐free Nd–Fe–B magnets as a model system, the approach quantifies grain connectivity across complex secondary ...
Nikita Kulesh, Anton Bolyachkin, Hajime Nakamura, Tadakatsu Ohkubo, Hossein Sepehri‐Amin   +4 more
wiley   +1 more source

SQL Injection Detection Based on Lightweight Multi-Head Self-Attention

Applied Sciences
This paper presents a novel neural network model for the detection of Structured Query Language (SQL) injection attacks for web applications. The model features high detection accuracy, fast inference speed, and low weight size.
Rui-Teng Lo, Wen-Jyi Hwang, Tsung-Ming Tai   +2 more
doaj   +1 more source

RAMS: Residual‐Based Adversarial‐Gradient Moving Sample Method for Scientific Machine Learning in Solving Partial Differential Equations

Advanced Intelligent Discovery, EarlyView.
We propose a residual‐based adversarial‐gradient moving sample (RAMS) method for scientific machine learning that treats samples as trainable variables and updates them to maximize the physics residual, thereby effectively concentrating samples in inadequately learned regions.
Weihang Ouyang, Min Zhu, Wei Xiong, Si‐Wei Liu, Lu Lu   +4 more
wiley   +1 more source

Holographic Mapping of Orbital Angular Momentum using a Terahertz Diffractive Optical Neural Network

Advanced Intelligent Discovery, EarlyView.
A compact six‐layer diffractive optical neural network enables direct recognition and spatial mapping of terahertz (THz) orbital angular momentum (OAM) beams. Fabricated by 3D printing, the system distinguishes nine OAM modes and their superpositions with high fidelity, good efficiency, and low crosstalk, offering a scalable solution for THz ...
Wei Jia, Miguel Gomez, Steve Blair, Berardi Sensale‐Rodriguez   +3 more
wiley   +1 more source

Revealing Protein–Protein Interactions Using a Graph Theory‐Augmented Deep Learning Approach

Advanced Intelligent Discovery, EarlyView.
This study presents a fast, cost‐efficient approach for classifying protein–protein interactions by integrating graph‐theory parametrization with deep learning (DL). Multiscale features extracted from graph‐encoded polarized‐light microscopy (PLM) images enable accurate prediction of binding strengths.
Bahar Dadfar, Gözde Kabay, Matthias Franzreb, Kody Whisnant, Nicholas A. Kotov, Joerg Lahann   +5 more
wiley   +1 more source

Analyzing Modern NVIDIA GPU cores

arXiv
GPUs are the most popular platform for accelerating HPC workloads, such as artificial intelligence and science simulations. However, most microarchitectural research in academia relies on GPU core pipeline designs based on architectures that are more than 15 years old. This paper reverse engineers modern NVIDIA GPU cores, unveiling many key aspects of
Huerta, Rodrigo, Shoushtary, Mojtaba Abaie, Cruz, José-Lorenzo, González, Antonio   +3 more
openaire   +2 more sources