Results 131 to 140 of about 87,870 (251)
On Multilevel Energy‐Based Fragmentation Methods
International Journal of Quantum Chemistry, Volume 126, Issue 3, January 30, 2026.We investigate the working equations of energy‐based fragmentation methods and present ML‐SUPANOVA, a Möbius‐inversion‐based multilevel fragmentation scheme that enables adaptive, quasi‐optimal truncations to efficiently approximate Born‐Oppenheimer potentials across hierarchies of electronic‐structure methods and basis sets.
James Barker +2 more
wiley +1 more source
Relaxations of graph isomorphism
, 2017 We introduce a nonlocal game that captures and extends the notion of graph isomorphism. This game can be won in the classical case if and only if the two input graphs are isomorphic. Thus, by considering quantum strategies we are able to define the notion of quantum isomorphism.
Mancinska, Laura +4 more
openaire +3 more sources
American Journal of Human Biology, Volume 38, Issue 1, January 2026.ABSTRACT Over the past several decades, scholars have conducted hundreds of studies investigating potential biomarkers of sexual orientation, such as genes, neuroanatomical features, and patterns of physiological response to sexual stimuli. The findings have been inconsistent: Biological measures sometimes converge with—but just as often diverge from ...
Lisa M. Diamond
wiley +1 more source
Quantum isomorphism is equivalent to equality of homomorphism counts\n from planar graphs [PDF]
, 2019 Laura Mančinska, David E. Roberson
openalex +1 more source
Dynamic boundary conditions with noise for an energy balance model coupled to geophysical flows
Mathematische Nachrichten, Volume 299, Issue 1, Page 60-84, January 2026.Abstract This paper investigates a Sellers‐type energy balance model coupled to the primitive equations by a dynamic boundary condition with and without noise on the boundary. It is shown that this system is globally strongly well‐posed both in the deterministic setting for arbitrary large data in W2(1−1/p),p$W^{2(1-\nicefrac {1}{p}),p}$ for p∈[2,∞)$p \
Gianmarco Del Sarto +2 more
wiley +1 more source
A Polynomial Time Algorithm for Graph Isomorphism and Automorphism
, 2021 Sardar Anisul Haque
openalex +2 more sources
Random Structures &Algorithms, Volume 68, Issue 1, January 2026.ABSTRACT We study a random walk on the Lie algebra sl2(Fp)$$ {\mathfrak{sl}}_2\left({\mathbf{F}}_p\right) $$ where new elements are produced by randomly applying adjoint operators of two generators. Focusing on the generic case where the generators are selected at random, we analyze the limiting distribution of the random walk and the speed at which it
Urban Jezernik, Matevž Miščič
wiley +1 more source
Smoothed Analysis for Graph Isomorphism
Proceedings of the 57th Annual ACM Symposium on Theory of ComputingThere is no known polynomial-time algorithm for graph isomorphism testing, but elementary combinatorial "refinement" algorithms seem to be very efficient in practice. Some philosophical justification is provided by a classical theorem of Babai, Erdős and Selkow: an extremely simple polynomial-time combinatorial algorithm (variously known as "naïve ...
Michael Anastos +2 more
openaire +2 more sources
WIREs Computational Molecular Science, Volume 16, Issue 1, January/February 2026.The scientist is hiking towards the treasure of accurate and predictive simulations of relevant phenomena. Molecular Dynamics shows a path riddled with obstacles such as accuracy, speed or sampling issues. Deep‐learning offers a way around these obstacles, but runs into hurdles of its own.
Klara Bonneau +15 more
wiley +1 more source
On the relative power of algebraic approximations of graph isomorphism [PDF]
, 2021 Anuj Dawar, Danny Vagnozzi
openalex +3 more sources