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Found 7 papers, 2 papers with code
Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research
X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery processes.
Automating Crystal-Structure Phase Mapping: Combining Deep Learning with Constraint Reasoning
DRNets compensate for the limited data by exploiting and magnifying the rich prior knowledge about the thermodynamic rules governing the mixtures of crystals with constraint reasoning seamlessly integrated into neural network optimization.
Materials Representation and Transfer Learning for Multi-Property Prediction
To address these issues, we introduce the Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP) framework that seamlessly integrates (i) prediction using only a material's composition, (ii) learning and exploitation of correlations among target properties in multi-target regression, and (iii) leveraging training data from tangential domains via generative transfer learning.
BIG-bench Machine Learning
Generative Adversarial Network
+4
Autonomous synthesis of metastable materials
Autonomous experimentation enabled by artificial intelligence (AI) offers a new paradigm for accelerating scientific discovery.
Deep Reasoning Networks: Thinking Fast and Slow, for Pattern De-mixing
We introduce Deep Reasoning Networks (DRNets), an end-to-end framework that combines deep learning with reasoning for solving pattern de-mixing problems, typically in an unsupervised or weakly-supervised setting.
Deep Reasoning Networks: Thinking Fast and Slow
At a high level, DRNets encode a structured latent space of the input data, which is constrained to adhere to prior knowledge by a reasoning module.
Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery
Identifying important components or factors in large amounts of noisy data is a key problem in machine learning and data mining.
