21 papers · ranked by Valyu relevance
Gregory A. Boyd, Bálint Koczor, Zhenyu Cai
We introduce a post-processing technique for classical shadow measurement data that enhances the precision of ground state estimation through high-dimensional subspace expansion; the dimensionality is only limited by the amount of classical post-processing resources rather than by quantum resources. Crucial steps of…
Aniol Santo-Angles, M Gyurkovics, K Jaworska, JM Palva + 2 more
Working memory representations of multiple items are maintained within quasi-orthogonal neural subspaces, a mechanism thought to reduce interference between memory contents. Previous studies in both non-human and human primates have demonstrated the existence of such subspaces, but it remains unclear how cognitive…
Zhongxiao Jia
Consider the optimal subspace expansion problem for the matrix eigenvalue problem Ax = λx: Which vector w in the current subspace V, after multiplied by A, provides an optimal subspace expansion for approximating a desired eigenvector x in the sense that x has the smallest angle with the expanded subspace Vw = V +…
Francisco Arrieta Zuccalli, Pedro Massey, Demetrio Stojanoff
Let A ∈ C n×n and let X ⊂ C n be an A-invariant subspace with dim X = d ≥ 1, corresponding to exterior eigenvalues of A. Given an initial subspace V ⊂ C n with dim V = r ≥ d, we search for expansions of V of the form V + A(W0), where W0 ⊂ V is such that dim W0 ≤ d and such that the expanded subspace is closer to X than…
Ignacio Fdez. Galván, Daniel Weßling, Roland Lindh
Orbital Optimization with S‑GEK/RVO: Efficient Subspace Compression and Robust Convergence Authors: Ignacio Fdez. Galván, Daniel Weßling, Roland Lindh We present enhancements to the S-GEK/RVO method for self-consistent field (SCF) orbital optimization, aimed at improving computational efficiency and robustness.…
Graeme W. Milton
A natural connection between rational functions of several real or complex variables, and subspace collections is explored. A new class of function, superfunctions, are introduced which are the counterpart to functions at the level of subspace collections. Operations on subspace collections are found to correspond to…
Riccardo Alessandro, Ivan Giannì, Federica Pes, Tommaso Nottoli + 1 more
Equations Revisited: A Simple and Efficient Iterative Algorithm Authors: ['Riccardo Alessandro' 'Ivan Giannì' 'Federica Pes' 'Tommaso Nottoli' 'Filippo Lipparini'] We present an algorithm to solve the linear response equations for Hartree-Fock, Density Functional Theory, and the Multiconfigurational Self-Consistent…
Pablo T. Wentz, Scott L. Brincat, Anitha Pasupathy, Earl K. Miller
Cortical spiking activity in areas like prefrontal cortex (PFC) encodes information only along a small number of dimensions, a subspace of the full space of population activity patterns. PFC often uses distinct subspaces to represent incoming sensory information and to maintain it in working memory. However, it’s…
Michael Hund, Dominic Böhm, Werner Sturm, Michael Sedlmair + 5 more
'Tobias Schreck' 'Torsten Ullrich' 'Daniel A. Keim' 'Ljiljana Majnaric' 'Andreas Holzinger'] Medical doctors and researchers in bio-medicine are increasingly confronted with complex patient data, posing new and difficult analysis challenges. These data are often comprising high-dimensional descriptions of patient…
Arni Sturluson, Melanie T. Huynh, Arthur H. P. York, Cory Simon
Porous organic cage molecules harbor nano-sized cavities that can selectively adsorb gas molecules, lending them applications in separations and sensing. The geometry of the cavity strongly influences adsorptive selectivity.For comparing cages and predicting their adsorption properties, we embed/ encode the cavities of…
Authors not listed
We present a comprehensive theoretical analysis of quantum subspace diagonalization methods for molecular electronic structure calculations, establishing rigorous complexity bounds and convergence guarantees. Building on recent developments in adaptive quantum algorithms for chemical systems, we formulate a general…
Arni Sturluson, Melanie T. Huynh, Arthur H. P. York, Cory Simon
Porous organic cage molecules harbor nano-sized cavities that can selectively adsorb gas molecules, lending them applications in separations and sensing. The geometry of the cavity strongly influences adsorptive selectivity.For comparing cages and predicting their adsorption properties, we embed/ encode the cavities of…
Hasi Bagan, Wataru Takeuchi, Yoshiki Yamagata, Xiaohui Wang + 1 more
'Yoshifumi Yasuoka'] Averaged learning subspace methods (ALSM) have the advantage of being easily implemented and appear to outperform in classification problems of hyperspectral images. However, there remain some open and challenging problems, which if addressed, could further improve their performance in terms of…
Arni Sturluson, Melanie T. Huynh, Arthur H. P. York, Cory Simon
Porous organic cage molecules harbor nano-sized cavities that can selectively adsorb gas molecules, lending them applications in separations and sensing. The geometry of the cavity strongly influences their adsorptive selectivity. For comparing cages and predicting their adsorption properties, we embed/encode a set of…
Nicholas Menghi, Kemal Kacar, Will Penny
This paper uses constructs from the field of multitask machine learning to define pairs of learning tasks that either shared or did not share a common subspace. Human subjects then learnt these tasks using a feedback-based approach. We found, as hypothesised, that subject performance was significantly higher on the…
Michela Artebani, R. Caroca, Marcelo Ipinza, D. M. Peñafiel + 1 more
'P. Salgado'] In this article it is shown that S-expansion procedure affects the geometry of a Lie group, changing it and leading us to the geometry of another Lie group with higher dimensionality. Is outlined, via an example, a method for determining the semigroup, which would provide a Lie algebra from another.…
Kenneth Lopez Perez, Edgar López-López, Flavie Soulage, Eloy Felix + 2 more
Chemical space is a core and theoretical concept in cheminformatics, and it also has practical applications in drug discovery and other research areas. Chemical space is frequently associated with the number of molecules in the universe (e.g., chemical universe). It is well known that the number of compounds (both…
Stevan Pilipović, Diana T. Stoeva
Matrix-type operators with the off-diagonal decay of polynomial or sub-exponential types are revisited with weaker assumptions concerning row or column estimates, still giving the continuity results for the frame type operators. Such results are extended from Banach to Fréchet spaces. Moreover, the localization of…
Ewa Langner, Pongpratch Puapatanakul, Rachel Pudlowski, Dema Yaseen Alsabbagh + 7 more
Ultrastructure expansion microscopy (U-ExM) involves the physical magnification of specimens embedded in hydrogels, which allows for super-resolution imaging of subcellular structures using a conventional diffraction-limited microscope. Methods for expansion microscopy exist for several organisms, organs, and cell…
Hugo G.J. Damstra, Josiah B. Passmore, Albert K. Serweta, Ioannis Koutlas + 4 more
Expansion microscopy (ExM) is a powerful technique to overcome the diffraction limit of light microscopy by physically expanding biological specimen in three dimensions. Nonetheless, using ExM for quantitative or diagnostic applications requires robust quality control methods to precisely determine expansion factors…
Jeong-Yup Lee, M. I. Aroyo
The equivalence between pure discrete spectrum and regular model sets on some non-unimodular substitution tilings is established. This will help to provide useful information about the cut-and-project scheme used in the description of quasiperiodic structures.