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Register a new userAn efficient method for calculating spatially extended electronic states of large systems with a divide-and-conquer approach
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We present an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT), in which a system is divided into subsystems whose electronic structure is solved separately. In this post process, the Kohn-Sham Hamiltonian of the total system is easily derived from the orbitals and orbital energies of subsystems obtained by DC-DFT without time-consuming and redundant computation. The resultant orbitals spatially extended over the total system are described as linear combinations of the orbitals of the subsystems. The size of the Hamiltonian matrix can be much reduced from that for conventional calculation, so that our method is fast and applicable to general huge systems for investigating the nature of electronic states.
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Compressed sensing (CS) theory assures us that we can accurately reconstruct magnetic resonance images using fewer k-space measurements than the Nyquist sampling rate requires. In traditional CS-MRI inversion methods, the fact that the energy within the Fourier measurement domain is distributed non-uniformly is often neglected during reconstruction. As a result, more densely sampled low-frequency information tends to dominate penalization schemes for reconstructing MRI at the expense of high-frequency details. In this paper, we propose a new framework for CS-MRI inversion in which we decompose the observed k-space data into subspaces via sets of filters in a lossless way, and reconstruct the images in these various spaces individually using off-the-shelf algorithms. We then fuse the results to obtain the final reconstruction. In this way we are able to focus reconstruction on frequency information within the entire k-space more equally, preserving both high and low frequency details. We demonstrate that the proposed framework is competitive with state-of-the-art methods in CS-MRI in terms of quantitative performance, and often improves an algorithms results qualitatively compared with its direct application to k-space.
Virtual memory (VM) is critical to the usability and programmability of hardware accelerators. Unfortunately, implementing accelerator VM efficiently is challenging because the area and power constraints make it difficult to employ the large multi-level TLBs used in general-purpose CPUs. Recent research proposals advocate a number of restrictions on virtual-to-physical address mappings in order to reduce the TLB size or increase its reach. However, such restrictions are unattractive because they forgo many of the original benefits of traditional VM, such as demand paging and copy-on-write. We propose SPARTA, a divide and conquer approach to address translation. SPARTA splits the address translation into accelerator-side and memory-side parts. The accelerator-side translation hardware consists of a tiny TLB covering only the accelerators cache hierarchy (if any), while the translation for main memory accesses is performed by shared memory-side TLBs. Performing the translation for memory accesses on the memory side allows SPARTA to overlap data fetch with translation, and avoids the replication of TLB entries for data shared among accelerators. To further improve the performance and efficiency of the memory-side translation, SPARTA logically partitions the memory space, delegating translation to small and efficient per-partition translation hardware. Our evaluation on index-traversal accelerators shows that SPARTA virtually eliminates translation overhead, reducing it by over 30x on average (up to 47x) and improving performance by 57%. At the same time, SPARTA requires minimal accelerator-side translation hardware, reduces the total number of TLB entries in the system, gracefully scales with memory size, and preserves all key VM functionalities.
Spectral clustering is one of the most popular clustering methods. However, how to balance the efficiency and effectiveness of the large-scale spectral clustering with limited computing resources has not been properly solved for a long time. In this paper, we propose a divide-and-conquer based large-scale spectral clustering method to strike a good balance between efficiency and effectiveness. In the proposed method, a divide-and-conquer based landmark selection algorithm and a novel approximate similarity matrix approach are designed to construct a sparse similarity matrix within extremely low cost. Then clustering results can be computed quickly through a bipartite graph partition process. The proposed method achieves the lower computational complexity than most existing large-scale spectral clustering. Experimental results on ten large-scale datasets have demonstrated the efficiency and effectiveness of the proposed methods. The MATLAB code of the proposed method and experimental datasets are available at https://github.com/Li-Hongmin/MyPaperWithCode.
Providing system-size independent lower bounds on the spectral gap of local Hamiltonian is in general a hard problem. For the case of finite-range, frustration free Hamiltonians on a spin lattice of arbitrary dimension, we show that a property of the ground state space is sufficient to obtain such a bound. We furthermore show that such a condition is necessary and equivalent to a constant spectral gap. Thanks to this equivalence, we can prove that for gapless models in any dimension, the spectral gap on regions of diameter $n$ is at most $oleft(frac{log(n)^{2+epsilon}}{n}right)$ for any positive $epsilon$.
We consider the learning of algorithmic tasks by mere observation of input-output pairs. Rather than studying this as a black-box discrete regression problem with no assumption whatsoever on the input-output mapping, we concentrate on tasks that are amenable to the principle of divide and conquer, and study what are its implications in terms of learning. This principle creates a powerful inductive bias that we leverage with neural architectures that are defined recursively and dynamically, by learning two scale-invariant atomic operations: how to split a given input into smaller sets, and how to merge two partially solved tasks into a larger partial solution. Our model can be trained in weakly supervised environments, namely by just observing input-output pairs, and in even weaker environments, using a non-differentiable reward signal. Moreover, thanks to the dynamic aspect of our architecture, we can incorporate the computational complexity as a regularization term that can be optimized by backpropagation. We demonstrate the flexibility and efficiency of the Divide-and-Conquer Network on several combinatorial and geometric tasks: convex hull, clustering, knapsack and euclidean TSP. Thanks to the dynamic programming nature of our model, we show significant improvements in terms of generalization error and computational complexity.
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