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Numerical methods for obtaining exact dynamics of non-Markovian open quantum systems are mostly limited to either small systems or to short-time evolution only. Here, we propose a new algorithm for computing process tensors--matrix product…

量子物理 · 物理学 2026-03-10 Émile Cochin , Jonathan Keeling , Brendon W. Lovett , Alex W. Chin

Large-scale deep learning benefits from an emerging class of AI accelerators. Some of these accelerators' designs are general enough for compute-intensive applications beyond AI and Cloud TPU is one such example. In this paper, we…

分布式、并行与集群计算 · 计算机科学 2019-11-19 Kun Yang , Yi-Fan Chen , Georgios Roumpos , Chris Colby , John Anderson

In this paper, we present a new version of the $i$QIST software package, which is capable of solving various quantum impurity models by using the hybridization expansion (or strong coupling expansion) continuous-time quantum Monte Carlo…

计算物理 · 物理学 2017-11-22 Li Huang

Many complex chemical problems encoded in terms of physics-based models become computationally intractable for traditional numerical approaches due to their unfavourable scaling with increasing molecular size. Tensor decomposition…

化学物理 · 物理学 2024-04-30 Nina Glaser , Markus Reiher

Finite-Hamiltonian impurity solvers provide direct real-frequency spectra and a natural route to enlarged impurity Hamiltonians, but their applicability is limited by the rapid Hilbert-space growth with the number of bath or other added…

强关联电子 · 物理学 2026-05-11 Jeongmoo Lee , Ara Go

Quantum optimal control (QOC) provides a systematic framework for achieving high-fidelity operations in quantum systems and plays a central role in tasks such as gate synthesis, state transfer, and pulse design. Existing QOC methods broadly…

量子物理 · 物理学 2026-04-28 Zeki Zeybek , Rick Mukherjee , Peter Schmelcher

Deep learning (DL) compilers rely on cost models and auto-tuning to optimize tensor programs for target hardware. However, existing approaches depend on large offline datasets, incurring high collection costs and offering suboptimal…

机器学习 · 计算机科学 2026-04-15 Chaoyao Shen , Linfeng Jiang , Yixian Shen , Tao Xu , Guoqing Li , Anuj Pathania , Andy D. Pimentel , Meng Zhang

In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schr\"odinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze the tailored…

Tensor computations--in particular tensor contraction (TC)--are important kernels in many scientific computing applications. Due to the fundamental similarity of TC to matrix multiplication (MM) and to the availability of optimized…

数学软件 · 计算机科学 2025-03-26 Devin A. Matthews

We present a reduced-scaling auxiliary-field quantum Monte Carlo (AFQMC) framework designed for large molecular systems and ensembles, with or without coupling to optical cavities. Our approach leverages the natural block sparsity of…

化学物理 · 物理学 2026-02-03 Yu Zhang

Robust tensor CP decomposition involves decomposing a tensor into low rank and sparse components. We propose a novel non-convex iterative algorithm with guaranteed recovery. It alternates between low-rank CP decomposition through gradient…

机器学习 · 计算机科学 2016-04-28 Animashree Anandkumar , Prateek Jain , Yang Shi , U. N. Niranjan

We provide an exact description of out-of-equilibrium fixed points in quantum impurity systems, that is able to treat time-dependent forcing. Building on this, we then show that analytical out-of-equilibrium results, that exactly treat…

介观与纳米尺度物理 · 物理学 2015-06-15 Loïc Freton , Edouard Boulat

Thermodynamic integration (TI) offers a rigorous method for estimating free-energy differences by integrating over a sequence of interpolating conformational ensembles. However, TI calculations are computationally expensive and typically…

统计力学 · 物理学 2024-12-04 Bálint Máté , François Fleuret , Tristan Bereau

We derive a CUR-type factorization for tensors in the Tucker format based on interpolatory decomposition, which we will denote as Higher Order Interpolatory Decomposition (HOID). Given a tensor $\mathcal{X}$, the algorithm provides a set of…

数值分析 · 数学 2016-07-04 Arvind K. Saibaba

In recent years, low-rank tensor completion (LRTC) has received considerable attention due to its applications in image/video inpainting, hyperspectral data recovery, etc. With different notions of tensor rank (e.g., CP, Tucker, tensor…

机器学习 · 统计学 2020-10-30 Yunfeng Cai , Ping Li

We study the high-dimensional limit of the free energy associated with the inference problem of finite-rank matrix tensor products. In general, we bound the limit from above by the unique solution to a certain Hamilton-Jacobi equation.…

概率论 · 数学 2021-03-25 Hong-Bin Chen , Jiaming Xia

In this paper, we establish a new approach to solve the tensor complementarity problem (TCP). A mixed integer programming model is given and the TCP is solved by solving the model. The TCP is shown to be formulated as an equivalent mixed…

最优化与控制 · 数学 2018-04-03 Shouqiang Du , Liping Zhang

We study the problem of an impurity in fully polarized (spin-up) low density neutron matter with the help of an accurate quantum Monte Carlo method in conjunction with a realistic nucleon-nucleon interaction derived from chiral effective…

核理论 · 物理学 2015-11-18 Alessandro Roggero , Abhishek Mukherjee , Francesco Pederiva

This paper proposes a novel formulation of the tensor completion problem to impute missing entries of data represented by tensors. The formulation is introduced in terms of tensor train (TT) rank which can effectively capture global…

数值分析 · 计算机科学 2016-01-07 Ho N. Phien , Hoang D. Tuan , Johann A. Bengua , Minh N. Do

The problem of incomplete data is common in signal processing and machine learning. Tensor completion algorithms aim to recover the incomplete data from its partially observed entries. In this paper, taking advantages of high…

数值分析 · 计算机科学 2018-12-03 Longhao Yuan , Jianting Cao , Qiang Wu , Qibin Zhao