19 papers · ranked by Valyu relevance
Rafal Zdunek, Andrzej Cichocki
Recently, a considerable growth of interest in projected gradient (PG) methods has been observed due to their high efficiency in solving large-scale convex minimization problems subject to linear constraints. Since the minimization problems underlying nonnegative matrix factorization (NMF) of large matrices well…
Kenneth Lange
The current paper proposes and tests algorithms for finding the diameter of a compact convex set and the farthest point in the set to another point. For these two nonconvex problems, I construct Frank-Wolfe and projected gradient ascent algorithms. Although these algorithms are guaranteed to go uphill, they can become…
Wenma Jin, Yair Censor, Ming Jiang
We investigate projected scaled gradient (PSG) methods for convex minimization problems. These methods perform a descent step along a diagonally scaled gradient direction followed by a feasibility regaining step via orthogonal projection onto the constraint set. This constitutes a generalized algorithmic structure that…
Ruien Wang, Remi Janet, Carmen Morawetz, Anita Tusche
Emotion regulation is essential for well-being and mental health, yet individuals vary widely in their emotion regulation success. Why? Traditional neuroimaging studies of emotion regulation often focus on localized neural activity or isolated networks, overlooking how large-scale brain organization may shape the…
Tian Shi, Yantao Tian, Zhongbo Sun, Bangcheng Zhang + 3 more
'Junzhi Yu' 'Xin Zhang'] In this paper, a three-order Taylor-type numerical differentiation formula is firstly utilized to linearize and discretize constrained conditions of model predictive control (MPC), which can be generalized from lower limb rehabilitation robots. Meanwhile, a new numerical approach that projected…
Dimitry Tegunov
Fourier-space projection operations are central to electron microscopy single-particle analysis and electron tomography algorithms. Machine learning methods require differentiable implementations for end-to-end model training, but PyTorch’s built-in operations are too slow for practical use. This paper introduces…
Patrick Friedrich, Stephanie J. Forkel, Michel Thiebaut de Schotten
Gradients capture some of the variance of the resting-state functional magnetic resonance imaging (rsfMRI) signal. Amongst these, the principal gradient depicts a functional processing hierarchy that spans from sensory-motor cortices to regions of the default-mode network. While the cortex has been well characterised…
Benjamin Kunsberg, Steven W. Zucker
Shape from shading is a classical inverse problem in computer vision. This shape reconstruction problem is inherently ill-defined; it depends on the assumed light source direction. We introduce a novel mathematical formulation for calculating local surface shape based on covariant derivatives of the shading flow field…
Michael Hutcheon, Andrew Teale
Algorithms are presented for performing a topological analysis of an arbitrary function, evaluated on an arbitrary grid of points. These algorithms work strictly by post-processing the data and require no additional function evaluations. This is achieved by connecting the grid points with a neighbourhood graph…
Masaki Takeuchi, Hiroki Kusuyama, Daisuke Iwai, Kosuke Sato
with Heterogeneous Projectors Authors: Masaki Takeuchi, Hiroki Kusuyama, Daisuke Iwai, Kosuke Sato Title: Projection Mapping under Environmental Lighting by Replacing Room Lights with Heterogeneous Projectors Authors: Masaki Takeuchi, Hiroki Kusuyama, Daisuke Iwai, Kosuke Sato Content: # 3.1 Distributed optimization…
Huaxu Yu, Puja Biswas, Elizabeth Rideout, Yankai Cao + 1 more
Liquid chromatography (LC) with gradient elution is a routine practice for separating complex chemical mixtures in mass spectrometry (MS)-based untargeted analysis. Despite its prevalence, systematic optimization of LC gradients has remained challenging. Here we develop a Bayesian optimization method, BAGO, for…
Authors not listed
The combined density functional theory and multi-reference configuration interaction (DFT/MRCI) method is a semi-empirical electronic structure approach that is both computationally efficient and of predictive accuracy for the calculation of electronic excited states and simulation of electronic spectroscopies.…
Ismail Melik Turker, Isa Yildirim
Using ((150-9)$18$) and ((150-10)$20$), we determine the local coordinates of the projection of the point. Through this approach, we solve the linear equation system in ((150-11)$12$) for a and b individually, without the need for inverse matrix operations in ((150-12)$13$), making it computationally more efficient. It…
Alejandro Lerer, Hans Supèr, Matthias S.Keil
The visual system is highly sensitive to spatial context for encoding luminance patterns. Context sensitivity inspired the proposal of many neural mechanisms for explaining the perception of luminance (brightness). Here we propose a novel computational model for estimating the brightness of many visual illusions. We…
Wanghuai Zhou, Deping Hu, Arkajit Mandal, Pengfei Huo
We derive a rigorous nuclear gradient for a molecule-cavity hybrid system using the Quantum Electrodynamics Hamiltonian. We treat the electronic-photonic DOFs as the quantum subsystem, and the nuclei as the classical subsystem. Using the adiabatic basis for the electronic DOF and the Fock basis for the photonic DOF…
Fumitaka Ueda, Yuta Kageyama, Daisuke Iwai, Kosuke Sato
—We present a focal surface projection to solve the narrow depth-of-field problem in projection mapping applications. We apply a phase-only spatial light modulator to realize nonuniform focusing distances, whereby the projected contents appear focused on a surface with considerable depth variations. The feasibility of…
Akhil Shajan, Madushanka Manathunga, Andreas Goetz, Kenneth Merz
Based on a series of energy minimizations with starting structures obtained from the Baker test set of 30 organic molecules, a comparison is made between various open- source geometry optimization codes that are interfaced with the open-source QUantum Interaction Computational Kernel (QUICK) program for gradient and…
Teodorico Ramalho, Daniel Leal, Leticia Braga
The relative extent of protonation in oxygen and carbon atoms and the position of protonation in carbons depend on several factors. We seek to locate the frontier molecular orbitals involved in the protonation reactions of substituted phenols using the FERMO concept through the MOLPROJ software, to compare the…
Haisen Zhao, Lin Lü, Li‐Yi Wei, Dani Lischinski + 3 more
'Daniel Cohen‐Or' 'Baoquan Chen'] We present a technique for designing 3D-printed perforated lampshades, which project continuous grayscale images onto the surrounding walls. Given the geometry of the lampshade and a target grayscale image, our method computes a distribution of tiny holes over the shell, such that the…