Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations

Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations

16 Aug 2004 | Matthias Troyer, Uwe-Jens Wiese
The paper by Matthias Troyer and Uwe-Jens Wiese discusses the computational complexity and fundamental limitations of fermionic quantum Monte Carlo simulations. Quantum Monte Carlo methods are efficient for bosons but suffer from the "negative sign problem" when applied to fermions, leading to an exponential increase in computational time with the number of particles. The authors prove that the sign problem is NP-hard, implying that a generic solution to the sign problem would also solve all problems in the complexity class NP (nondeterministic polynomial) in polynomial time. This means that unless the widely believed conjecture NP≠P is disproven, there is no generic solution to the sign problem. The paper provides a detailed construction of a quantum mechanical system where the calculation of a thermal average is equivalent to solving an NP-complete problem, thus demonstrating the NP-hardness of the sign problem. The authors conclude that while specific instances of the sign problem may be solvable for certain subclasses of quantum systems, a generic solution is likely impossible due to the fundamental distinction between bosonic and fermionic systems. They suggest that using ultra-cold atoms in optical lattices as quantum simulators might be a promising approach for studying correlated quantum systems, but even this method is not a generic solution to the sign problem.The paper by Matthias Troyer and Uwe-Jens Wiese discusses the computational complexity and fundamental limitations of fermionic quantum Monte Carlo simulations. Quantum Monte Carlo methods are efficient for bosons but suffer from the "negative sign problem" when applied to fermions, leading to an exponential increase in computational time with the number of particles. The authors prove that the sign problem is NP-hard, implying that a generic solution to the sign problem would also solve all problems in the complexity class NP (nondeterministic polynomial) in polynomial time. This means that unless the widely believed conjecture NP≠P is disproven, there is no generic solution to the sign problem. The paper provides a detailed construction of a quantum mechanical system where the calculation of a thermal average is equivalent to solving an NP-complete problem, thus demonstrating the NP-hardness of the sign problem. The authors conclude that while specific instances of the sign problem may be solvable for certain subclasses of quantum systems, a generic solution is likely impossible due to the fundamental distinction between bosonic and fermionic systems. They suggest that using ultra-cold atoms in optical lattices as quantum simulators might be a promising approach for studying correlated quantum systems, but even this method is not a generic solution to the sign problem.
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