Glassy discovery offers computational windfall to researchers across disciplines PNASNews
. We ended up with significant results because we were curious enough to try a method that shouldn't have worked. But it did."to exploring energy landscapes.
Low-energy, stable glasses, or"ideal glasses," are the key to a storehouse of knowledge that researchers are keen to unlock. "We use computational models to simulate the positions and movements of atoms in different glasses," says Thirumalaiswamy."In order to keep track of a material's particles, which are so numerous and dynamic they are impossible to visualize in three dimensions, we need to represent them mathematically in high-dimensional virtual spaces. If we have 300 atoms, for example, we need to represent them in 900 dimensions. We call these energy landscapes.
Yet as the researchers watched their configuration energy trend downward, they realized it had succeeded. Machine learning processes have a lot in common with random walks in high-dimensional space. Trainingtakes an enormous amount of computational time and power and has a long way to go in terms of predictive accuracies.
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