Related papers: Cluster expansions in dilute systems: applications…
We advocate Laplacian K-modes for joint clustering and density mode finding, and propose a concave-convex relaxation of the problem, which yields a parallel algorithm that scales up to large datasets and high dimensions. We optimize a tight…
We introduce a procedure to infer the interactions among a set of binary variables, based on their sampled frequencies and pairwise correlations. The algorithm builds the clusters of variables contributing most to the entropy of the…
In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…
We describe various expansion schemes that can be used to study gravitational clustering. Obtained from the equations of motion or their path-integral formulation, they provide several perturbative expansions that are organized in different…
We revisit the classical approach to cluster expansions, based on tree graphs, and establish a new convergence condition that improves those by Kotecky-Preiss and Dobrushin, as we show in some examples. The two ingredients of our approach…
In this paper, we investigate the learning-augmented $k$-median clustering problem, which aims to improve the performance of traditional clustering algorithms by preprocessing the point set with a predictor of error rate $\alpha \in [0,1)$.…
Cluster algorithms are increasingly popular in biomedical research due to their compelling ability to identify discrete subgroups in data, and their increasing accessibility in mainstream software. While guidelines exist for algorithm…
We develop a numerical linked cluster expansion (NLCE) method that can be applied directly to inhomogeneous systems, for example Hamiltonians with disorder and dynamics initiated from inhomogeneous initial states. We demonstrate the method…
Simulating energy systems is vital for energy planning to understand the effects of fluctuating renewable energy sources and integration of multiple energy sectors. Capacity expansion is a powerful tool for energy analysts and consists of…
Kinetic Monte Carlo models parameterized by first principles calculations are widely used to simulate atomic diffusion. However, accurately predicting the activation energies for diffusion in substitutional alloys remains challenging due to…
This thesis includes analysis of disordered spin ensembles corresponding to Exact Cover, a multi-access channel problem, and composite models combining sparse and dense interactions. The satisfiability problem in Exact Cover is addressed…
We provide a sufficient condition for the uniqueness in distribution of Gibbs point processes with non-negative pairwise interaction, together with convergent expansions of the log-Laplace functional, factorial moment densities and…
We introduce a simplified method to model the interatomic interactions of high entropy alloys based on a lookup table of cluster energies. These interactions are employed in replica exchange Monte Carlo simulations with histogram analysis…
We address the problem of clustering a set of points in $\mathbb{R}^d$ with axis-parallel clusters. Previous exact approaches to this problem are mostly based on integer programming formulations and can only solve to optimality instances of…
We introduce a hierarchical class of approximations of the random Ising spin glass in $d$ dimensions. The attention is focused on finite clusters of spins where the action of the rest of the system is properly taken into account. At the…
Numerical linked-cluster expansions allow one to calculate finite-temperature properties of quantum lattice models directly in the thermodynamic limit through exact solutions of small clusters. However, full diagonalization is often the…
The surface partition of large clusters is studied analytically within a frame-work of the ``Hills and Dales Model''. Three formulations are solved exactly by using the Laplace-Fourier transformation method. In the limit of small amplitude…
Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI…
The computational complexity of internal diffusion-limited aggregation (DLA) is examined from both a theoretical and a practical point of view. We show that for two or more dimensions, the problem of predicting the cluster from a given set…
We introduce a Sherrington-Kirkpatrick spin-glass model with the addition of elastic degrees of freedom. The problem is formulated in terms of an effective four-spin Hamiltonian in the pressure ensemble, which can be treated by the replica…