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相关论文: Applications of Machine Learning in Polymer Materi…

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In the modern world, technology is at its peak. Different avenues in programming and technology have been explored for data analysis, automation, and robotics. Machine learning is key to optimize data analysis, make accurate predictions,…

亚细胞过程 · 定量生物学 2023-10-18 Akshay Bhalla , Suraj Rajendran

In recent years, machine learning has demonstrated impressive results in various fields, including software vulnerability detection. Nonetheless, using machine learning to identify software vulnerabilities presents new challenges,…

密码学与安全 · 计算机科学 2025-08-22 Sima Arasteh , Christophe Hauser

While machine learning has transformed polymer design by enabling rapid property prediction and candidate generation, translating these designs into experimentally realizable materials remains a critical challenge. Traditionally, the…

软凝聚态物质 · 物理学 2025-12-08 Sakshi Agarwal , Wei Xiong , Rampi Ramprasad

Machine learning has enabled significant benefits in diverse fields, but, with a few exceptions, has had limited impact on computer architecture. Recent work, however, has explored broader applicability for design, optimization, and…

硬件体系结构 · 计算机科学 2019-09-30 Drew D. Penney , Lizhong Chen

While machine learning (ML) has made significant contributions to the biopharmaceutical field, its applications are still in the early stages in terms of providing direct support for quality-by-design based development and manufacturing of…

机器学习 · 计算机科学 2023-10-17 Thanh Tung Khuat , Robert Bassett , Ellen Otte , Alistair Grevis-James , Bogdan Gabrys

Progress in the application of machine learning techniques to the prediction of solid-state and molecular materials properties has been greatly facilitated by the development state-of-the-art feature representations and novel deep learning…

材料科学 · 物理学 2022-03-21 David E. Sommer , Scott T. Dunham

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

生物大分子 · 定量生物学 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

材料科学 · 物理学 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Machine learning develops rapidly, which has made many theoretical breakthroughs and is widely applied in various fields. Optimization, as an important part of machine learning, has attracted much attention of researchers. With the…

机器学习 · 计算机科学 2019-10-24 Shiliang Sun , Zehui Cao , Han Zhu , Jing Zhao

Machine learning potentials (MLPs) developed from extensive datasets constructed from density functional theory (DFT) calculations have become increasingly appealing for many researchers. This paper presents a framework of polynomial-based…

材料科学 · 物理学 2022-09-29 Atsuto Seko

It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…

人工智能 · 计算机科学 2023-03-27 Aparna S. Varde , Jianyu Liang

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

机器学习 · 计算机科学 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

Material defects (MD) represent a primary challenge affecting product performance and giving rise to safety issues in related products. The rapid and accurate identification and localization of MD constitute crucial research endeavors in…

计算机视觉与模式识别 · 计算机科学 2025-05-06 Jun Bai , Di Wu , Tristan Shelley , Peter Schubel , David Twine , John Russell , Xuesen Zeng , Ji Zhang

Machine learning (ML) provides a broad spectrum of tools and architectures that enable the transformation of data from simulations and experiments into useful and explainable science, thereby augmenting domain knowledge. Furthermore,…

等离子体物理 · 物理学 2024-09-05 Farbod Faraji , Maryam Reza

Predicting crime using machine learning and deep learning techniques has gained considerable attention from researchers in recent years, focusing on identifying patterns and trends in crime occurrences. This review paper examines over 150…

机器学习 · 计算机科学 2023-06-16 Varun Mandalapu , Lavanya Elluri , Piyush Vyas , Nirmalya Roy

Machine learning models are routinely integrated into process mining pipelines to carry out tasks like data transformation, noise reduction, anomaly detection, classification, and prediction. Often, the design of such models is based on…

机器学习 · 计算机科学 2024-02-21 Paolo Ceravolo , Sylvio Barbon Junior , Ernesto Damiani , Wil van der Aalst

Programming Language Processing (PLP) using machine learning has made vast improvements in the past few years. Increasingly more people are interested in exploring this promising field. However, it is challenging for new researchers and…

机器学习 · 计算机科学 2023-06-19 Patrick Flynn , Tristan Vanderbruggen , Chunhua Liao , Pei-Hung Lin , Murali Emani , Xipeng Shen

Machine learning encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. We review in a selective way the recent research on…

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

机器学习 · 计算机科学 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei

Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and materials discovery. Self-supervised pretraining of transformer models requires large-scale…

机器学习 · 计算机科学 2023-10-27 Pei Zhang , Logan Kearney , Debsindhu Bhowmik , Zachary Fox , Amit K. Naskar , John Gounley