Related papers: Extension of selected configuration interaction fo…
A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle…
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…
In this paper, we improved the performance of the contrast source inversion (CSI) method by incorporating a so-called cross-correlated cost functional, which interrelates the state error and the data error in the measurement domain. The…
Effective feature interaction modeling is critical for enhancing the accuracy of click-through rate (CTR) prediction in industrial recommender systems. Most of the current deep CTR models resort to building complex network architectures to…
Local non-Hermitian (NH) quantum systems generically exhibit breakdown of Lieb-Robinson (LR) bounds, motivating study of whether new locality measures might shed light not seen by existing measures. In this paper we extend the standard…
The Hilbert space for three fermions in six orbitals, lately dubbed the "Borland-Dennis setting," is a proving ground for insights into electronic structure. Borland and Dennis discovered that, when referred to coordinate systems defined in…
The recently developed Doubles Connected Moments (DCM) expansion offers a tractable approach for computing correlation energy, exhibiting an noniterative O(N^6) scaling with system size N. Benchmark calculations on a set of molecules…
We introduce a new approach to highly correlated systems which generalizes the Fermi Hypernetted Chain and Correlated Basis Function techniques. While the latter approaches can only be applied to systems for which a nonrelativistic wave…
Decision Transformer (DT) is an innovative algorithm leveraging recent advances of the transformer architecture in reinforcement learning (RL). However, a notable limitation of DT is its reliance on recalling trajectories from datasets,…
The Horvitz-Thompson (H-T) estimator is widely used for estimating network causal effects. We study its optimality properties by embedding it in the class of all linear estimators. We show that, under any form of interference, the H-T…
The control function approach allows the researcher to identify various causal effects of interest. While powerful, it requires a strong invertibility assumption in the selection process, which limits its applicability. This paper expands…
In a recent paper [Phys. Rev. Lett. \textbf{93}, 130401 (2004)], we proposed the idea of expanding the space of variations in variational calculations of the energy by considering the approximate wave function $\psi$ to be a functional of…
Recently, it has become clear that non-hermitian phenomena can be observed not only in open quantum systems experiencing gain and loss but also in equilibrium single-particle properties of strongly correlated systems. However, the…
We study various novel complexity measures for two-sided matching mechanisms, applied to the two canonical strategyproof matching mechanisms, Deferred Acceptance (DA) and Top Trading Cycles (TTC). Our metrics are designed to capture the…
Scrambling and thermalisation are topics of intense study in both condensed matter and high energy physics. Random unitary dynamics form a simple testing-ground for our theoretical understanding of these processes. In this work, we derive…
We present a generalized formulation of the Optimized Effective Potential (OEP) approach to the Self Interaction Correction (SIC) problem in Time Dependent (TD) Density Functional Theory (DFT). The formulation relies on the introduction of…
Tensor train (TT) decomposition provides a space-efficient representation for higher-order tensors. Despite its advantage, we face two crucial limitations when we apply the TT decomposition to machine learning problems: the lack of…
The formalism based on Correlated Basis Functions (CBF) and the cluster-expansion technique has been recently employed to derive an effective interaction from a realistic nuclear Hamiltonian. One of the main objectives of the work described…
Click-through rate (CTR) prediction is a critical task in recommendation systems, serving as the ultimate filtering step to sort items for a user. Most recent cutting-edge methods primarily focus on investigating complex implicit and…
We present a fully variational locally scaled self-interaction corrected (SIC) energy functional using complex optimal orbitals. This represents an important milestone for fully variational SIC energy functionals, which have been shown to…