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The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a…
This paper focuses on improved edge model based on Curvelet coefficients analysis. Curvelet transform is a powerful tool for multiresolution representation of object with anisotropic edge. Curvelet coefficients contributions have been…
Isospectral flows are abundant in mathematical physics; the rigid body, the the Toda lattice, the Brockett flow, the Heisenberg spin chain, and point vortex dynamics, to mention but a few. Their connection on the one hand with integrable…
In this work, we investigate an original strategy in order to derive a statistical modeling of the interface in gas-liquid two-phase flows through geometrical variables. The con- tribution is two-fold. First it participates in the…
Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…
This paper introduces a new immersed boundary (IB) method for viscous incompressible flow, based on a Fourier spectral method for the fluid solver and on the nonuniform fast Fourier transform (NUFFT) algorithm for coupling the fluid with…
As a probabilistic modeling technique, the flow-based model has demonstrated remarkable potential in the field of lossless compression \cite{idf,idf++,lbb,ivpf,iflow},. Compared with other deep generative models (eg. Autoregressive, VAEs)…
The Immersed Boundary (IB) method is a mathematical framework for constructing robust numerical methods to study fluid-structure interaction in problems involving an elastic structure immersed in a viscous fluid. The IB formulation uses an…
The identification of the interfacial molecules in fluid-fluid equilibrium is a long-standing problem in the area of simulation. We here propose a new point of view, making use of concepts taken from the field of computational geometry,…
Multiscale mixed methods based on non-overlapping domain decompositions can efficiently handle the solution of significant subsurface flow problems in very heterogeneous formations of interest to the industry, especially when implemented on…
Implicit time-stepping for advection is applied locally in space and time where Courant numbers are large, but standard explicit time-stepping is used for the remaining solution which is typically the majority. This adaptively implicit…
Recently, machine learning has been used to substitute parts of conventional computational fluid dynamics, e.g. the cell-face reconstruction in finite-volume solvers or the curvature computation in the Volume-of-Fluid (VOF) method. The…
This paper concerns models and convergence principles for dealing with stochasticity in a wide range of algorithms arising in nonlinear analysis and optimization in Hilbert spaces. It proposes a flexible geometric framework within which…
In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the Discrete Ion Stochastic Continuum Overdamped Solvent (DISCOS) algorithm was derived for triply…
The smoothed particle hydrodynamics (SPH) method has been increasingly used to study fluid problems in recent years; but its computational cost can be high if high resolution is required. In this study, an adaptive resolution method based…
The recently developed Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) is investigated for a wide range of model parameters including the parameter m representing the chain length and the thermodynamic temperature T and…
The Lie point symmetries and corresponding invariant solutions are obtained for a Gaussian, irrotational, compressible fluid flow. A supersymmetric extension of this model is then formulated through the use of a superspace and superfield…
This paper presents a novel variational formulation to simulate linear free-surface flow. The variational formulation is suitable for higher-order finite elements and higher-order and higher-continuity shape functions as employed in…
We present a wavelet-based adaptive method for computing 3D multiscale flows in complex, time-dependent geometries, implemented on massively parallel computers. While our focus is on simulations of flapping insects, it can be used for other…
Discovering heterogeneous catalysts tailored for specific reaction intermediates remains a fundamental bottleneck in materials science. While traditional trial-and-error methods and recent generative models have shown promise, they struggle…