The network he built with Matthias Troyer, now at Microsoft Research, analyzes one- and two-dimensional grids of electrons. The electrons are fixed in place but can reorient their spins in one of two directions, up or down. Their interactions work at cross-purposes, some seeking to align electrons in the same direction, others driving them apart. How the system will settle down is not at all obvious.
The network predicts the outcome not by directly solving the relevant equations — good luck doing that for a system of this size — but by trial and error. Given one possible configuration of spins as an input, the network returns the probability and energy of that configuration. In so doing, it creates various arithmetic combinations of the spins to capture their correlations. Any one electron might be associated with any other electron or group of electrons.
To train the network, the researchers first initialize it to random values. They enter several trial configurations to see how the energy varies and tune the network to reduce that quantity. They repeat the procedure until they reach a point of diminishing returns. The network then describes the lowest-
energy state of the system, from which the user can calculate all the system’s other properties. Of all the astronomically many correlations that might have been meaningful, the network zeroes in on the most important, revealing the essential physics within the system.
In an alternative procedure, the network can be tuned not to achieve the lowest energy but to match experimental data. Whereas conventional techniques may need a million data points to reconstruct the workings of even a modest system, Carleo’s method might get by with just 100. “On some benchmark calculations,” he says, “we clearly see that using a neural network is a substantial improvement over existing approaches.” He says he is now considering what happens when the electrons are free to hop from one spot on the grid to another. That profoundly complicates the problem, because electrons resist clumping together, and the model needs to track the correlations they develop as they come together and draw apart. The reward, though, may be an explanation of high-temperature superconductivity.
Whereas Carleo applies neural networks to quantum systems, Stoudenmire goes the other way, taking the expertise that physicists have acquired with mammoth systems and adapting it to machine learning.
For most systems physicists encounter, correlations are strongest on small scales and diminish with distance. Distant regions can act in a coordinated way, but their linkage is mediated by what happens on smaller scales. Machine learning, too, often deals with data with correlations that weaken with distance. It need not be spatial distance. In language processing, for example, words spoken in succession are usually related, whereas those uttered a minute apart have a looser connection.
A system with such correlations has a hierarchical structure. Neighboring components can be lumped together and treated as one unit. That unit, in turn, interacts with neighboring units and can be lumped with them. Continuing in this vein, you block the system into progressively larger pieces. Physics occurs on all these levels, just as a country has vibrant politics at every scale, from school board elections to international diplomacy. “Things are happening at different zoom levels and can be related to one another,” Stoudenmire says.
Building on older techniques for describing hierarchical systems, physicists in the early 1990s represented this chunking as a chain of mathematical operations involving tensors, which are a generalization of matrices: grids of numbers that can have not just rows and columns, but third, fourth, fifth and more dimensions. Crucially, you do not need to think of tensors as grids of numbers, but you can manipulate them as single units, however big they may be. “We can work with these vectors that you would never imagine you could work with in terms of their size,” Stoudenmire says. With one stroke, you can operate on effectively infinitely many numbers at once, which gives even the simplest operations an Olympian power.
In fact, all you ever need are linear operations such as rotating and scaling the tensors. To a machine-learning researcher, that beggars belief. A neural network could hardly do a thing with only linear operations. But there’s a crucial difference with these tensors: Linear operations on them are performed in an enormous abstract space. In effect, the complexity is offloaded to that space. “Do you either work in low-dimensional space and do complicated things on it, or do you work in a high-dimensional space and do simple things on it?” Stoudenmire asks. Which trade-off is better depends on the problem. “There’s some really compelling things about physics tensor networks that are either really hard to do with neural networks or completely unimaginable,” he says. He hopes his colleagues in machine learning will feel the same excitement he did when he first saw the links between these fields.