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Molecular odor prediction is the process of using a molecule's structure to predict its smell. While accurate prediction remains challenging, AI models can suggest potential odors. Existing methods, however, often rely on basic descriptors…

机器学习 · 计算机科学 2025-05-02 Hong Xin Xie , Jian De Sun , Fan Fu Xue , Zi Fei Han , Shan Shan Feng , Qi Chen

Modern scientific and technological advances allow botanists to use computer vision-based approaches for plant identification tasks. These approaches have their own challenges. Leaf classification is a computer-vision task performed for the…

计算机视觉与模式识别 · 计算机科学 2022-08-19 Ali Beikmohammadi , Karim Faez , Ali Motallebi

Minimum miscibility pressure (MMP) prediction plays an important role in design and operation of nitrogen based enhanced oil recovery processes. In this work, a comparative study of statistical and machine learning methods used for MMP…

机器学习 · 计算机科学 2023-04-18 Xiuli Zhu , Seshu Kumar Damarla , Biao Huang

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

The optimization of properties of perovskite oxides has drawn interest on account of their diverse areas of application. In this work, the hierarchical clustering technique is used to reduce the multi-collinearity among selected features…

材料科学 · 物理学 2022-03-01 George Stephen Thoppil , Alankar Alankar

Supervised machine learning models are trained with various molecular descriptors to predict infrared emission spectra of interstellar polycyclic aromatic hydrocarbons. We demonstrate that a feature importance analysis based on the random…

星系天体物理 · 物理学 2021-12-08 Zhisen Meng , Xiaosi Zhu , Peter Kovacs , Enwei Liang , Zhao Wang

Multimodal wearable sensor data classification plays an important role in ubiquitous computing and has a wide range of applications in scenarios from healthcare to entertainment. However, most existing work in this field employs…

计算机视觉与模式识别 · 计算机科学 2018-05-02 Xiang Zhang , Lina Yao , Chaoran Huang , Sen Wang , Mingkui Tan , Guodong Long , Can Wang

We describe a machine learning method for predicting the value of a real-valued function, given the values of multiple input variables. The method induces solutions from samples in the form of ordered disjunctive normal form (DNF) decision…

人工智能 · 计算机科学 2014-11-17 S. M. Weiss , N. Indurkhya

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…

图像与视频处理 · 电气工程与系统科学 2019-01-15 Xin Li , Ondrej E. Dyck , Mark P. Oxley , Andrew R. Lupini , Leland McInnes , John Healy , Stephen Jesse , Sergei V. Kalinin

Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…

机器学习 · 计算机科学 2020-01-10 Dieterich Lawson , George Tucker , Bo Dai , Rajesh Ranganath

Sequence classification is the task of predicting a class label given a sequence of observations. In many applications such as healthcare monitoring or intrusion detection, early classification is crucial to prompt intervention. In this…

机器学习 · 计算机科学 2020-10-07 Maayan Shvo , Andrew C. Li , Rodrigo Toro Icarte , Sheila A. McIlraith

Physics models typically contain adjustable parameters to reproduce measured data. While some parameters correspond directly to measured features in the data, others are unobservable. These unobservables can, in some cases, cause…

核理论 · 物理学 2024-03-11 C. H. Kim , K. Y. Chae , M. S. Smith , D. W. Bardayan , C. R. Brune , R. J. deBoer , D. Lu , D. Odell

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

材料科学 · 物理学 2021-10-22 M. Amir Siddiq

This paper has proposed a novel approach to classify the subjects' smoking behavior by extracting relevant regions from a given image using deep learning. After the classification, we have proposed a conditional detection module based on…

计算机视觉与模式识别 · 计算机科学 2021-03-24 Anshul Pundhir , Deepak Verma , Puneet Kumar , Balasubramanian Raman

As a nonlocal extension of continuum mechanics, peridynamics has been widely and effectively applied in different fields where discontinuities in the field variables arise from an initially continuous body. An important component of the…

数值分析 · 数学 2021-09-22 Xiao Xu , Marta D'Elia , John T. Foster

We introduce a versatile machine-learning scheme for predicting dipole moments of molecular liquids to study dielectric properties. We attribute the center of mass of Wannier functions, called Wannier centers, to each chemical bond and…

材料科学 · 物理学 2025-04-29 Tomohito Amano , Tamio Yamazaki , Shinji Tsuneyuki

Deep neural networks and other sophisticated machine learning models are widely applied to biomedical signal data because they can detect complex patterns and compute accurate predictions. However, the difficulty of interpreting such models…

信号处理 · 电气工程与系统科学 2021-07-12 Charmaine Chia , Matteo Sesia , Chi-Sing Ho , Stefanie S. Jeffrey , Jennifer Dionne , Emmanuel J. Candès , Roger T. Howe

We present a novel differential refractive index sensor based on arrays of photonic molecules (PM) of dielectric cylinders and two structural defect cavities. The transmission spectrum of the photonic proposed structure as sensor shows a…

光学 · 物理学 2016-08-09 Angel Andueza , Jesus Perez-Conde , Joaquin Sevilla

In this research, an emotion recognition system is developed based on valence/arousal model using electroencephalography (EEG) signals. EEG signals are decomposed into the gamma, beta, alpha and theta frequency bands using discrete wavelet…

机器学习 · 计算机科学 2019-06-04 Omid Bazgir , Zeynab Mohammadi , Seyed Amir Hassan Habibi

We demonstrate identification of position, material, orientation and shape of objects imaged by an $^{85}$Rb atomic magnetometer performing electromagnetic induction imaging supported by machine learning. Machine learning maximizes the…

原子物理 · 物理学 2018-01-24 Cameron Deans , Lewis D. Griffin , Luca Marmugi , Ferruccio Renzoni
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