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Memory is the fundamental form of temporal complexity: when present but uncontrollable, it manifests as non-Markovian noise; conversely, if controllable, memory can be a powerful resource for information processing. Memory effects arise…
While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient absorption spectra, time-dependent coupled-cluster theory does…
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…
The main objective of the Multiple Kernel k-Means (MKKM) algorithm is to extract non-linear information and achieve optimal clustering by optimizing base kernel matrices. Current methods enhance information diversity and reduce redundancy…
Cognitive functions in current artificial intelligence networks are tied to the exponential increase in network scale, whereas the human brain can continuously learn hundreds of cognitive functions with remarkably low energy consumption.…
Correlation clustering is a central topic in unsupervised learning, with many applications in ML and data mining. In correlation clustering, one receives as input a signed graph and the goal is to partition it to minimize the number of…
A molecular dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules. The time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions…
Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has…
Temporal Knowledge Graph (TKG) is an extension of regular knowledge graph by attaching the time scope. Existing temporal knowledge graph question answering (TKGQA) models solely approach simple questions, owing to the prior assumption that…
Complex systems are ubiquitous in the real world and tend to have complicated and poorly understood dynamics. For their control issues, the challenge is to guarantee accuracy, robustness, and generalization in such bloated and troubled…
Time-dependent response and correlation functions are studied in random quantum systems composed of infinitely many parts without mutual interaction and defined with statistically independent random matrices. The latter are taken within the…
Fractional-order dynamical systems are used to describe processes that exhibit temporal long-term memory and power-law dependence of trajectories. There has been evidence that complex neurophysiological signals like electroencephalogram…
Out-of-time-order correlators (OTOCs) are central probes of quantum scrambling, and their generalizations have recently become key primitives for both benchmarking quantum advantage and learning the structure of Hamiltonians. Yet their…
Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally-measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first…
Multivariate Time-Series (MTS) clustering is crucial for signal processing and data analysis. Although deep learning approaches, particularly those leveraging Contrastive Learning (CL), are prominent for MTS representation, existing…
Femtosecond electron beams with complex modulation play a crucial role in applications such as X-ray Free Electron Lasers (XFELs) and plasma wakefield accelerators. However, diagnostics for the electron beam current profile still face…
We propose a method for computing n-time correlation functions of arbitrary spinorial, fermionic, and bosonic operators, consisting of an efficient quantum algorithm that encodes these correlations in an initially added ancillary qubit for…
We present an application of our new theoretical formulation of quantum dynamics, moment propagation theory (MPT) (Boyer et al., J. Chem. Phys. 160, 064113 (2024)), for employing machine-learning techniques to simulate the quantum dynamics…
Sequential deep learning models such as RNN, causal CNN and attention mechanism do not readily consume continuous-time information. Discretizing the temporal data, as we show, causes inconsistency even for simple continuous-time processes.…
We elucidate the relation between out-of-time-order correlators (OTOCs) and quantum phase transitions via analytically studying the OTOC dynamics in a degenerate spectrum. Our method points to key ingredients to dynamically detect quantum…