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In recent days, Artificial Neural Network (ANN) can be applied to a vast majority of fields including business, medicine, engineering, etc. The most popular areas where ANN is employed nowadays are pattern and sequence recognition, novelty…

Computer Vision and Pattern Recognition · Computer Science 2019-02-06 Md. Abu Bakr Siddique , Mohammad Mahmudur Rahman Khan , Rezoana Bente Arif , Zahidun Ashrafi

Accurately predicting drug responses to cancer is an important problem hindering oncologists' efforts to find the most effective drugs to treat cancer, which is a core goal in precision medicine. The scientific community has focused on…

Machine Learning · Computer Science 2016-12-06 Turki Turki , Zhi Wei

In this era of machine learning models, their functionality is being threatened by adversarial attacks. In the face of this struggle for making artificial neural networks robust, finding a model, resilient to these attacks, is very…

Neural and Evolutionary Computing · Computer Science 2019-05-08 Saima Sharmin , Priyadarshini Panda , Syed Shakib Sarwar , Chankyu Lee , Wachirawit Ponghiran , Kaushik Roy

The interpretation of observations of atomic and molecular tracers in the galactic and extragalactic interstellar medium (ISM) requires comparisons with state-of-the-art astrophysical models to infer some physical conditions. Usually, ISM…

In this study, we propose a novel approach, termed boundary integrated neural networks (BINNs), for analyzing in-plane crack problems within the framework of linear elastic fracture mechanics. The proposed approach integrates artificial…

Computational Engineering, Finance, and Science · Computer Science 2025-03-03 Peijun Zhang , Yan Gu , Okyay Altay , Chuanzeng Zhang

Adverse drug reactions considerably impact patient outcomes and healthcare costs in cancer therapy. Using artificial intelligence to predict adverse drug reactions in real time could revolutionize oncology treatment. This study aims to…

Quantitative Methods · Quantitative Biology 2025-05-21 Fatma Zahra Abdeldjouad , Menaouer Brahami , Mohammed Sabri

How to produce expressive molecular representations is a fundamental challenge in AI-driven drug discovery. Graph neural network (GNN) has emerged as a powerful technique for modeling molecular data. However, previous supervised approaches…

Machine Learning · Computer Science 2020-12-22 Pengyong Li , Jun Wang , Yixuan Qiao , Hao Chen , Yihuan Yu , Xiaojun Yao , Peng Gao , Guotong Xie , Sen Song

The amyloid state of proteins is widely studied with relevancy in neurology, biochemistry, and biotechnology. In contrast with amorphous aggregation, the amyloid state has a well-defined structure, consisting of parallel and anti-parallel…

Biomolecules · Quantitative Biology 2020-11-10 Laszlo Keresztes , Evelin Szogi , Balint Varga , Viktor Farkas , Andras Perczel , Vince Grolmusz

Distillation is a unit operation with multiple input parameters and multiple output parameters. It is characterized by multiple variables, coupling between input parameters, and non-linear relationship with output parameters. Therefore, it…

Chemical Physics · Physics 2021-07-30 Chunli Li , Chunyu Wang

For quantitative structure-property relationship (QSPR) studies in chemoinformatics, it is important to get interpretable relationship between chemical properties and chemical features. However, the predictive power and interpretability of…

Machine Learning · Statistics 2017-05-05 Youjun Xu , Jianfeng Pei , Luhua Lai

Artificial neural network (ANN) is a supervised learning algorithm, where parameters are learned by several back-and-forth iterations of passing the inputs through the network, comparing the output with the expected labels, and correcting…

Cryptography and Security · Computer Science 2021-10-13 Mohammad Sadeq Dousti

The purpose of this paper is to use absorbance data obtained by human tasting and an ultraviolet-visible (UV-Vis) scanning spectrophotometer to predict the attributes of grape juice (GJ) and to classify the wine's origin, respectively. The…

Machine Learning · Computer Science 2025-07-29 Jianping Yao , Son N. Tran , Hieu Nguyen , Samantha Sawyer , Rocco Longo

To effectively simulate the combustion of hydrocarbon-fueled supersonic engines, such as rocket-based combined cycle (RBCC) engines, a detailed mechanism for chemistry is usually required but computationally prohibitive. In order to…

Fluid Dynamics · Physics 2020-03-03 Jian An , Guo Qiang He , Kai Hong Luo , Fei Qin , Bing Liu

Artificial Neural Networks (ANN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.…

Chemical Physics · Physics 2022-12-23 Silvan Käser , Luis Itza Vazquez-Salazar , Markus Meuwly , Kai Töpfer

Timely assessment of compound toxicity is one of the biggest challenges facing the pharmaceutical industry today. A significant proportion of compounds identified as potential leads are ultimately discarded due to the toxicity they induce.…

Machine Learning · Statistics 2018-06-13 Mikhail Zaslavskiy , Simon Jégou , Eric W. Tramel , Gilles Wainrib

Although backpropagation ANNs generally predict better than decision trees do for pattern classification problems, they are often regarded as black boxes, i.e., their predictions cannot be explained as those of decision trees. In many…

Neural and Evolutionary Computing · Computer Science 2010-09-28 S. M. Kamruzzaman , Md. Monirul Islam

Machine learning and the use of neural networks has increased precipitously over the past few years primarily due to the ever-increasing accessibility to data and the growth of computation power. It has become increasingly easy to harness…

Machine Learning · Computer Science 2020-08-05 Aaron Hein , Casey Cole , Homayoun Valafar

The electroencephalogram (EEG) is one of the most precious technologies to understand the happenings inside our brain and further understand our body's happenings. Automatic prediction of oncoming seizures using the EEG signals helps the…

Signal Processing · Electrical Eng. & Systems 2022-11-08 Abhijeet Bhattacharya

Predicting accurate protein-ligand binding affinity is important in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite…

Innovation in the ground and space-based instruments has taken us into a new age of spectroscopy, in which a large amount of stellar content is becoming available. So, automatic classification of stellar spectra became subjective in recent…

Solar and Stellar Astrophysics · Physics 2020-06-26 Y. A. Azzam , M. I. Nouh , A. A. Shaker