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Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno

This paper explores the problem of tool substitution, namely, identifying substitute tools for performing a task from a given set of candidate tools. We introduce a novel approach to tool substitution, that unlike prior work in the area,…

Robotics · Computer Science 2019-11-13 Nithin Shrivatsav , Lakshmi Nair , Sonia Chernova

Visually identifying materials is crucial for many tasks, yet material perception remains poorly understood. Distinguishing mirror from glass is particularly challenging as both materials derive their appearance from their surroundings, yet…

Computer Vision and Pattern Recognition · Computer Science 2022-03-14 Hideki Tamura , Konrad E. Prokott , Roland W. Fleming

Materials informatics (MI), emerging from the integration of materials science and data science, is expected to significantly accelerate material development and discovery. The data used in MI are derived from both computational and…

Materials Science · Physics 2025-04-09 Yusuke Hashimoto , Xue Jia , Hao Li , Takaaki Tomai

Propelled partly by the Materials Genome Initiative, and partly by the algorithmic developments and the resounding successes of data-driven efforts in other domains, informatics strategies are beginning to take shape within materials…

Materials Science · Physics 2017-07-25 Rampi Ramprasad , Rohit Batra , Ghanshyam Pilania , Arun Mannodi-Kanakkithodi , Chiho Kim

We train artificial neural networks to predict the physical properties of linear, single branched, and double branched alkanes. These neural networks can be trained from fragmented data, which enables us to use physical property information…

Computational Physics · Physics 2019-08-07 Pavao Santak , Gareth Conduit

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Other Condensed Matter · Physics 2025-02-04 Gavin Nop , Micah Mundy , Durga Paudyal , Jonathan Smith

Material attributes have been shown to provide a discriminative intermediate representation for recognizing materials, especially for the challenging task of recognition from local material appearance (i.e., regardless of object and scene…

Computer Vision and Pattern Recognition · Computer Science 2017-04-13 Gabriel Schwartz , Ko Nishino

The inability of artificial neural networks to assess the uncertainty of their predictions is an impediment to their widespread use. We distinguish two types of learnable uncertainty: model uncertainty due to a lack of training data and…

Machine Learning · Computer Science 2022-06-14 Hans Weytjens , Jochen De Weerdt

ANN (Artificial Neural Networks) modeling methodology was adopted for predicting mechanical properties of aluminum cast composite materials. For this purpose aluminum alloy were developed using conventional foundry method. The composite…

Materials Science · Physics 2016-06-01 Muhammad Hayat Jokhio , Muhammad Ibrahim Panhwer , Mukhtiar Ali Unar

The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

Chemical Physics · Physics 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

The recognition and classification of the diversity of materials that exist in the environment around us are a key visual competence that computer vision systems focus on in recent years. Understanding the identification of materials in…

Computer Vision and Pattern Recognition · Computer Science 2017-10-20 Anca Sticlaru

We describe the development of artificial neural networks (ANN) for the prediction of the properties of ceramic materials. The ceramics studied here include polycrystalline, inorganic, non-metallic materials and are investigated on the…

Materials Science · Physics 2007-05-23 D. J. Scott , P. V. Coveney , J. A. Kilner , J. C. H. Rossiny , N. Mc N. Alford

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky

Neural networks are one of the most investigated and widely used techniques in Machine Learning. In spite of their success, they still find limited application in safety- and security-related contexts, wherein assurance about networks'…

Artificial Intelligence · Computer Science 2018-05-28 Francesco Leofante , Nina Narodytska , Luca Pulina , Armando Tacchella

Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Disordered Systems and Neural Networks · Physics 2019-06-19 Pascal Marc Vecsei , Kenny Choo , Johan Chang , Titus Neupert

Rapid development in numerical modelling of materials and the complexity of new models increases quickly together with their computational demands. Despite the growing performance of modern computers and clusters, calibration of such models…

Neural and Evolutionary Computing · Computer Science 2016-03-08 Tomáš Mareš , Eliška Janouchová , Anna Kučerová

Neural networks have been shown to frequently fail to learn critical safety and correctness properties purely from data, highlighting the need for training methods that directly integrate logical specifications. While adversarial training…

Machine Learning · Computer Science 2025-06-25 Thomas Flinkow , Marco Casadio , Colin Kessler , Rosemary Monahan , Ekaterina Komendantskaya

Inverse problems exist in a wide variety of physical domains from aerospace engineering to medical imaging. The goal is to infer the underlying state from a set of observations. When the forward model that produced the observations is…

Machine Learning · Computer Science 2023-01-06 Chelsea Sidrane , Sydney Katz , Anthony Corso , Mykel J. Kochenderfer

Data values in a dataset can be missing or anomalous due to mishandling or human error. Analysing data with missing values can create bias and affect the inferences. Several analysis methods, such as principle components analysis or…

Artificial Intelligence · Computer Science 2022-05-11 Sandeep Hans , Diptikalyan Saha , Aniya Aggarwal