2.2k citations · 2.2k across the 7 of their papers we have counts for
7 papers
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
Akihiro Kishimoto, Hiroshi Kajino, Masataka Hirose +6
Property prediction plays an important role in material discovery. As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder…
AI powered, automated discovery of polymer membranes for carbon capture
Ronaldo Giro, Hsianghan Hsu, Akihiro Kishimoto +6
The generation of molecules with Artificial Intelligence (AI) is poised to revolutionize materials discovery. Potential applications range from development of potent drugs to effic…
Accelerating Material Design with the Generative Toolkit for Scientific Discovery
Matteo Manica, Jannis Born, Joris Cadow +21
With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful represe…
Molecule Generation Experience: An Open Platform of Material Design for Public Users
Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu +10
Artificial Intelligence (AI)-driven material design has been attracting great attentions as a groundbreaking technology across a wide spectrum of industries. Molecular design is pa…
Molecular Inverse-Design Platform for Material Industries
Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu +17
The discovery of new materials has been the essential force which brings a discontinuous improvement to industrial products' performance. However, the extra-vast combinatorial desi…
AI-driven Inverse Design System for Organic Molecules
Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu +7
Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools…
Recent Advances in Physical Reservoir Computing: A Review
Gouhei Tanaka, Toshiyuki Yamane, Jean Benoit Héroux +6
Reservoir computing is a computational framework suited for temporal/sequential data processing. It is derived from several recurrent neural network models, including echo state ne…