Discovering Quantum Algorithms with AI

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Challenge

Discovering new quantum algorithms is an exceptionally difficult challenge due to the number of potential quantum operations and is highly counterintuitive for human researchers to navigate. U.S. leadership in the emerging quantum computing revolution will require accelerating the design and development of quantum algorithms (including those that capitalize on the convergence of classical HPC, AI, and quantum computers) that demonstrate scientific utility and a provable quantum advantage.

AI Solution

Novel AI could discover new quantum algorithms by automating and optimizing their design and translating them into applications without requiring prior domain knowledge. Furthermore, AI-powered platforms can translate high-level problem descriptions in natural language into executable quantum circuits, making algorithm design more accessible to researchers from various fields. AI could help establish scientific workflows that leverage the interplay of classical and quantum resources, managing data flow and executing complex computations across platforms.

Justification

There is strong evidence that quantum computers and algorithms will offer solutions to computational problems with high impact to the scientific community, beyond the limits of classical HPC and AI. DOE hosts the most complete suite of scientific computing capabilities and these advances in quantum capability will enable computations that are classically intractable.

National Impact

The discovery of new quantum algorithms will have broad applications to science domains, such as fusion sciences, high energy physics, nuclear physics, materials science, and chemistry, with proposed commercial applications for the acceleration of drug, material, and chemical discovery. This technological leap would not only bolster the nation’s economy and security but also provide tools to address some of the most challenging scientific and societal problems.