Related papers: Linear Response Selected Configuration Interaction
We present an approach to combining selected configuration interaction (SCI) and initiator full configuration interaction quantum Monte Carlo (i-FCIQMC). In the current i-FCIQMC scheme, the space of initiators is chosen dynamically by a…
We propose a novel interference prediction scheme to improve link adaptation (LA) in densely deployed industrial sub-networks (SNs) with high-reliability and low-latency communication (HRLLC) requirements. The proposed method aims to…
The learned image compression (LIC) methods have already surpassed traditional techniques in compressing natural scene (NS) images. However, directly applying these methods to screen content (SC) images, which possess distinct…
The transfer of reinforcement learning (RL) techniques into real-world applications is challenged by safety requirements in the presence of physical limitations. Most RL methods, in particular the most popular algorithms, do not support…
Although Large language Model (LLM)-powered information extraction (IE) systems have shown impressive capabilities, current fine-tuning paradigms face two major limitations: high training costs and difficulties in aligning with LLM…
Contrastive learning (CL) benefits the training of sequential recommendation models with informative self-supervision signals. Existing solutions apply general sequential data augmentation strategies to generate positive pairs and encourage…
Recent progress in scaling large models has motivated recommender systems to increase model depth and capacity to better leverage massive behavioral data. However, recommendation inputs are high-dimensional and extremely sparse, and simply…
The uncertainty quantification and error control of classifiers are crucial in many high-consequence decision-making scenarios. We propose a selective classification framework that provides an indecision option for any observations that…
Foundation models often generate unreliable answers, while heuristic uncertainty estimators fail to fully distinguish correct from incorrect outputs, causing users to accept erroneous answers without any statistical guarantee. We address…
The potential energy curve of the F$_2$ molecule is calculated with Fixed-Node Diffusion Monte Carlo (FN-DMC) using Configuration Interaction (CI)-type trial wavefunctions. To keep the number of determinants reasonable (the first and second…
Recently, the l0-least mean square (l0-LMS) algorithm has been proposed to identify sparse linear systems by employing a sparsity-promoting continuous function as an approximation of l0 pseudonorm penalty. However, the performance of this…
The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry makes it practical to evaluate static correlation in a large active space, while dynamic correlation provides a critical…
We present a Flexible Ansatz for N-body Configuration Interaction (FANCI) that includes any multideterminant wavefunction. This ansatz is a generalization of the Configuration Interaction (CI) wavefunction, where the coefficients are…
Accurate modeling of power flow behavior is essential for a wide range of power system applications, yet the nonlinear and nonconvex structure of the underlying equations often limits their direct use in large-scale optimization problems.…
We study a class of constrained reinforcement learning (RL) problems in which multiple constraint specifications are not identified before training. It is challenging to identify appropriate constraint specifications due to the undefined…
Linear response (LR) is an important tool in the computational chemist's toolbox. It is therefore no surprise that the emergence of quantum computers has led to a quantum version, quantum LR (qLR). However, the current quantum era of…
This work establishes a quenched (trajectory-wise) linear response formula for random intermittent dynamical systems, consisting of Liverani-Saussol-Vaienti maps with varying parameters. This result complements recent annealed (averaged)…
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCSD) theory for static and dynamic polarizabilities of atoms…
We have developed a new time propagation method, time-dependent adaptive sampling configuration interaction (TD-ASCI), to describe the dynamics of a strongly correlated system. We employ the short iterative Lanczos (SIL) method as the…
The Projected Configuration Interaction (PCI) method starts from a collection of mean-field wave functions, and builds up correlated wave functions of good symmetry. It relies on the Generator Coordinator Method (GCM) techniques, but it…