AI behind deepfakes may power materials design innovations

The person staring back from the computer screen may not actually exist, thanks to artificial intelligence (AI) capable of generating convincing but ultimately fake images of human faces. Now this same technology may power the next wave of innovations in materials design, according to Penn State scientists. "We hear a lot about deepfakes in the news today -- AI that can generate realistic images of human faces that don't correspond to real people," said Wesley Reinhart, assistant professor of materials science and engineering and Institute for Computational and Data Sciences faculty co-hire, at Penn State. "That's exactly the same technology we used in our research. The scientists trained a generative adversarial network (GAN) to create novel refractory high-entropy alloys, materials that can withstand ultra-high temperatures while maintaining their strength and that are used in technology from turbine blades to rockets. "There are a lot of rules about what makes an image of a human face or what makes an alloy, and it would be really difficult for you to know what all those rules are or to write them down by hand," Reinhart said. "The whole principle of this GAN is you have two neural networks that basically compete in order to learn what those rules are, and then generate examples that follow the rules." The team combed through hundreds of published examples of alloys to create a training dataset. The network features a generator that creates new compositions and a critic that tries to discern whether they look realistic compared to the training dataset. If the generator is successful, it is able to make alloys that the critic believes are real, and as this adversarial game continues over many iterations, the model improves, the scientists said. After this training, the scientists asked the model to focus on creating alloy compositions with specific properties that would be ideal for use in turbine blades. "Our preliminary results show that generative models can learn complex relationships in order to generate novelty on demand," said Zi-Kui Liu, Dorothy Pate Enright Professor of Materials Science and Engineering at Penn State. It's really what we are missing in our computational community in materials science in general."