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We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (EANN) approach is inspired by the well-known empirical…

Chemical Physics · Physics 2019-10-23 Yaolong Zhang , Ce Hu , Bin Jiang

Electrocardiograms (ECG), which record the electrophysiological activity of the heart, have become a crucial tool for diagnosing these diseases. In recent years, the application of deep learning techniques has significantly improved the…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Wei Huang , Ning Wang , Panpan Feng , Haiyan Wang , Zongmin Wang , Bing Zhou

Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in…

Machine Learning · Statistics 2022-09-28 Nicola De Cao , Thomas Kipf

Development of highly sensitive, portable and low-cost sensors for the evaluation of ethanol content in liquid is particularly important in several process monitoring, from food to pharmaceutical industry. In this respect, here we report on…

Materials Science · Physics 2021-10-27 Angelo Leo , Anna Grazia Monteduro , Silvia Rizzato , Angelo Milone , Giuseppe Maruccio

Despite advances in the Transformer architecture, their effectiveness for long-term time series forecasting (LTSF) remains controversial. In this paper, we investigate the potential of integrating explicit periodicity modeling into the…

Machine Learning · Computer Science 2026-03-31 Tian Sun , Yuqi Chen , Weiwei Sun

In recent years, machine learning (ML) has gained significant popularity in the field of chemical informatics and electronic structure theory. These techniques often require researchers to engineer abstract "features" that encode chemical…

Human-Computer Interaction · Computer Science 2022-07-11 Xiangyun Lei , Fred Hohman , Duen Horng Chau , Andrew J. Medford

Methane (CH4) is a potent greenhouse gas, and its detection and quantification are crucial for mitigating the greenhouse effect. This study presents a comparative analysis of methane emissions observed using near-simultaneous observations…

Image and Video Processing · Electrical Eng. & Systems 2025-06-03 Alvise Ferrari , Giovanni Laneve , Raul Alejandro Carvajal Tellez , Valerio Pampanoni , Simone Saquella , Rocchina Guarini

Entanglement not only plays a crucial role in quantum technologies, but is key to our understanding of quantum correlations in many-body systems. However, in an experiment, the only way of measuring entanglement in a generic mixed state is…

Quantum Physics · Physics 2018-10-16 Johnnie Gray , Leonardo Banchi , Abolfazl Bayat , Sougato Bose

Predicting the dynamics of complex systems is crucial for various scientific and engineering applications. The accuracy of predictions depends on the model's ability to capture the intrinsic dynamics. While existing methods capture key…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Ruikun Li , Jingwen Cheng , Huandong Wang , Qingmin Liao , Yong Li

This work presents a procedure that can quickly identify and isolate methane emission sources leading to expedient remediation. Minimizing the time required to identify a leak and the subsequent time to dispatch repair crews can…

Optimization and Control · Mathematics 2023-08-04 Kashif Rashid , Lukasz Zielinski , Junyi Yuan , Andrew Speck

Potential Energy Surfaces (PESs) are an indispensable tool to investigate, characterise and understand chemical and biological systems in the gas and condensed phases. Advances in Machine Learning (ML) methodologies have led to the…

Chemical Physics · Physics 2025-11-04 Valerii Andreichev , Sena Aydin , Kai Töpfer , Markus Meuwly , Luis Itza Vazquez-Salazar

Real-time gas classification is an essential issue and challenge in applications such as food and beverage quality control, accident prevention in industrial environments, for instance. In recent years, the Deep Learning (DL) models have…

Signal Processing · Electrical Eng. & Systems 2020-10-05 Juan C. Rodriguez Gamboa , Adenilton J. da Silva , Ismael C. S. Araujo , Eva Susana Albarracin E. , Cristhian M. Duran A

Entangled photons provide non-classical correlations that enable measurement sensitivities beyond classical limits, scalable fault-tolerant quantum computation, and fundamentally secure quantum communication, making them a foundational…

Using lightweight models as backbone networks in gaze estimation tasks often results in significant performance degradation. The main reason is that the number of feature channels in lightweight networks is usually small, which makes the…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Zhang Cheng , Yanxia Wang

We have implemented principal component analysis for microscopic wide-field chemical imaging via coherent Raman spectroscopy. Microscopic imaging of nitrogen gas has been challenging due to extremely weak signals stemming from low order…

One of the most promising metasurface architectures for the microwave and terahertz frequency ranges consists of three patterned metallic layers separated by dielectrics. Such metasurfaces are well suited to planar fabrication techniques…

Optics · Physics 2021-04-08 Andreas E. Olk , David A. Powell

Electrocardiogram(ECG) is commonly used to detect cardiac irregularities such as atrial fibrillation, bradycardia, and other irregular complexes. While previous studies have achieved great accomplishment classifying these irregularities…

Machine Learning · Computer Science 2022-05-02 Hao-Chun Yang , Wan-Ting Hsieh , Trista Pei-Chun Chen

Road lanes are integral components of the visual perception systems in intelligent vehicles, playing a pivotal role in safe navigation. In lane detection tasks, balancing accuracy with real-time performance is essential, yet existing…

Computer Vision and Pattern Recognition · Computer Science 2024-05-22 Weiqing Qi , Guoyang Zhao , Fulong Ma , Linwei Zheng , Ming Liu

Hydrogen is vital for sectors like chemicals and others, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) is a key technology for the production of green hydrogen under fluctuating…

Numerical Analysis · Mathematics 2024-10-10 Dayron Chang Dominguez , An Phuc Dam , Thomas Richter , Kai Sundmacher , Shaun M. Alia

Medical Visual Question Answering (MedVQA) has attracted growing interest at the intersection of medical image understanding and natural language processing for clinical applications. By interpreting medical images and providing precise…

Image and Video Processing · Electrical Eng. & Systems 2025-05-13 Zhilin Zhang , Jie Wang , Zhanghao Qin , Ruiqi Zhu , Xiaoliang Gong