Helmut G. Katzgraber

Feedback-optimized parallel tempering Monte Carlo

We introduce an algorithm for systematically improving the efficiency of parallel tempering Monte Carlo simulations by optimizing the simulated temperature set. Our approach is closely related to a recently introduced adaptive algorithm that optimizes the simulated statistical ensemble in generalized broad-histogram Monte Carlo simulations. Conventionally, a temperature set is chosen in such a way that the acceptance rates for replica swaps between adjacent temperatures are independent of the temperature and large enough to ensure frequent swaps. In this paper, we show that by choosing the temperatures with a modified version of the optimized ensemble feedback method we can minimize the round-trip times between the lowest and highest temperatures which effectively increases the efficiency of the parallel tempering algorithm. In particular, the density of temperatures in the optimized temperature set increases at the bottlenecks of the simulation, such as phase transitions. In turn, the acceptance rates are now temperature dependent in the optimized temperature ensemble. We illustrate the feedback-optimized parallel tempering algorithm by studying the two-dimensional Ising ferromagnet and the two-dimensional fully frustrated Ising model, and briefly discuss possible feedback schemes for systems that require configurational averages, such as spin glasses.

Universality in three-dimensional Ising spin glasses: A Monte Carlo study

We study universality in three-dimensional Ising spin glasses by large-scale Monte Carlo simulations of the Edwards-Anderson Ising spin glass for several choices of bond distributions, with particular emphasis on Gaussian and bimodal interactions. A finite-size scaling analysis suggests that three-dimensional Ising spin glasses obey universality.

Monte Carlo simulations of spin glasses at low temperatures

We report the results of Monte Carlo simulations on several spin-glass models at low temperatures. By using the parallel tempering (exchange Monte Carlo) technique we are able to equilibrate down to low temperatures, for moderate sizes, and hence the data should not be affected by critical fluctuations. Our results for short-range models are consistent with a picture proposed earlier that there are large-scale excitations which cost only a finite energy in the thermodynamic limit, and these excitations have a surface whose fractal dimension is less than the space dimension. For the infinite range Viana-Bray model, our results obtained for a similar number of spins, are consistent with standard replica symmetry breaking.

Reversal-Field Memory in the Hysteresis of Spin Glasses

We report a novel singularity in the hysteresis of spin glasses, the reversal-field memory effect, which creates a nonanalyticity in the magnetization curves at a particular point related to the history of the sample. The origin of the effect is due to the existence of a macroscopic number of symmetric clusters of spins associated with a local spin-reversal symmetry of the Hamiltonian. We use first order reversal curve (FORC) diagrams to characterize the effect and compare to experimental results on thin magnetic films. We contrast our results on spin glasses to random magnets and show that the FORC technique is an effective magnetic fingerprinting tool.

Absence of an Almeida-Thouless Line in Three-Dimensional Spin Glasses

We present results of Monte Carlo simulations of the three-dimensional Edwards-Anderson Ising spin glass in the presence of a (random) field. A finite-size scaling analysis of the correlation length shows no indication of a transition, in contrast with the zero-field case. This suggests that there is no Almeida-Thouless line for short-range Ising spin glasses.

Disorder-induced magnetic memory: Experiments and theories

Beautiful theories of magnetic hysteresis based on random microscopic disorder have been developed over the past ten years. Our goal was to directly compare these theories with precise experiments. To do so, we first developed and then applied coherent x-ray speckle metrology to a series of thin multilayer perpendicular magnetic materials. To directly observe the effects of disorder, we deliberately introduced increasing degrees of disorder into our films. We used coherent x rays, produced at the Advanced Light Source at Lawrence Berkeley National Laboratory, to generate highly speckled magnetic scattering patterns. The apparently “random” arrangement of the speckles is due to the exact configuration of the magnetic domains in the sample. In effect, each speckle pattern acts as a unique fingerprint for the magnetic domain configuration. Small changes in the domain structure change the speckles, and comparison of the different speckle patterns provides a quantitative determination of how much the domain structure has changed. Our experiments quickly answered one longstanding question: How is the magnetic domain configuration at one point on the major hysteresis loop related to the configurations at the same point on the loop during subsequent cycles? This is called microscopic return-point memory RPM. We found that the RPM is partial and imperfect in the disordered samples, and completely absent when the disorder is below a threshold level. We also introduced and answered a second important question: How are the magnetic domains at one point on the major loop related to the domains at the complementary point, the inversion symmetric point on the loop, during the same and during subsequent cycles? This is called microscopic complementary-point memory CPM. We found that the CPM is also partial and imperfect in the disordered samples and completely absent when the disorder is not present. In addition, we found that the RPM is always a little larger than the CPM. We also studied the correlations between the domains within a single ascending or descending loop. This is called microscopic half-loop memory and enabled us to measure the degree of change in the domain structure due to changes in the applied field. No existing theory was capable of reproducing our experimental results. So we developed theoretical models that do fit our experiments. Our experimental and theoretical results set benchmarks for future work.

Monte Carlo studies of the one-dimensional Ising spin glass with power-law interactions

We present results from Monte Carlo simulations of the one-dimensional Ising spin glass with power-law interactions at low temperature, using the parallel tempering Monte Carlo method. For a set of parameters where the long-range part of the interaction is relevant, we find evidence for large-scale dropletlike excitations with an energy that is independent of system size, consistent with replica symmetry breaking. We also perform zero-temperature defect energy calculations for a range of parameters and find a stiffness exponent for domain walls in reasonable but by no means perfect agreement with analytic predictions.

FINDING LOW-TEMPERATURE STATES WITH PARALLEL TEMPERING, SIMULATED ANNEALING AND SIMPLE MONTE CARLO

Monte Carlo simulation techniques, like simulated annealing and parallel tempering, are often used to evaluate low-temperature properties and find ground states of disordered systems. Here we compare these methods using direct calculations of ground states for three-dimensional Ising diluted antiferromagnets in a field (DAFF) and three-dimensional Ising spin glasses (ISG). For the DAFF, we find that, with respect to obtaining ground states, parallel tempering is superior to simple Monte Carlo and to simulated annealing. However, equilibration becomes more difficult with increasing magnitude of the externally applied field. For the ISG with bimodal couplings, which exhibits a high degeneracy, we conclude that finding true ground states is easy for small systems, as is already known. But finding each of the degenerate ground states with the same probability (or frequency), as required by Boltzmann statistics, is considerably harder and becomes almost impossible for larger systems.

Seeking Quantum Speedup Through Spin Glasses: The Good, the Bad, and the Ugly

There has been considerable progress in the design and construction of quantum annealing devices. However, a conclusive detection of quantum speedup over traditional silicon-based machines remains elusive, despite multiple careful studies. In this work we outline strategies to design hard tunable benchmark instances based on insights from the study of spin glasses - the archetypal random benchmark problem for novel algorithms and optimization devices. We propose to complement head-to-head scaling studies that compare quantum annealing machines to state-of-the-art classical codes with an approach that compares the performance of different algorithms and/or computing architectures on different classes of computationally hard tunable spin-glass instances. The advantage of such an approach lies in having to only compare the performance hit felt by a given algorithm and/or architecture when the instance complexity is increased. Furthermore, we propose a methodology that might not directly translate into the detection of quantum speedup, but might elucidate whether quantum annealing has a `quantum advantage over corresponding classical algorithms like simulated annealing. Our results on a 496 qubit D-Wave Two quantum annealing device are compared to recently-used state-of-the-art thermal simulated annealing codes.

Ground-state statistics from annealing algorithms: quantum versus classical approaches

We study the performance of quantum annealing for systems with ground-state degeneracy by directly solving the Schrodinger equation for small systems and quantum Monte Carlo simulations for larger systems. The results indicate that naive quantum annealing using a transverse field may not be well suited to identify all degenerate ground-state configurations, although the value of the ground-state energy is often efficiently estimated. An introduction of quantum transitions to all states with equal weights is shown to greatly improve the situation, but with a sacrifice in annealing time. We also clarify the relation between the spin configurations in degenerate ground states and the probabilities that those states are obtained by quantum annealing. The strengths and weaknesses of quantum annealing for problems with degenerate ground states are discussed in comparison with classical simulated annealing.