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We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be…

计算机视觉与模式识别 · 计算机科学 2023-11-28 Biao Zhang , Peter Wonka

The main objective of dose finding trials is to find an optimal dose amongst a candidate set for further research. The trial design in oncology proceeds in stages with a decision as to how to treat the next group of patients made at every…

统计方法学 · 统计学 2025-10-21 Andrew Hall , Duncan Wilson , Stuart Barber , Sarah R Brown

A formulation of the density functional theory is constructed on the foundations of entropic inference. The theory is introduced as an application of maximum entropy for inhomogeneous fluids in thermal equilibrium. It is shown that entropic…

统计力学 · 物理学 2023-12-29 Ahmad Yousefi , Ariel Caticha

In the analysis of High-Energy Physics data, it is frequently desired to separate resonant signals from a smooth, non-resonant background. This paper introduces a new technique - functional decomposition (FD) - to accomplish this task. It…

数据分析、统计与概率 · 物理学 2018-05-15 Ryan Edgar , Dante Amidei , Christopher Grud , Karishma Sekhon

During the last decade, density function theory (DFT) in its static and dynamic time dependent forms, has emerged as a powerful tool to describe the structure and dynamics of doped liquid helium and droplets. In this review, we summarize…

A classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requires the knowledge of pure solvent direct correlation…

化学物理 · 物理学 2014-09-01 Guillaume Jeanmairet

The main result of this paper is a proof of the continuity of a family of integral functionals defined on the space of functions of bounded variation with respect to a topology under which smooth functions are dense. These functionals occur…

偏微分方程分析 · 数学 2014-11-24 Filip Rindler , Giles Shaw

Medical image segmentation plays an important role in accurately identifying and isolating regions of interest within medical images. Generative approaches are particularly effective in modeling the statistical properties of segmentation…

计算机视觉与模式识别 · 计算机科学 2025-02-06 Lea Bogensperger , Dominik Narnhofer , Alexander Falk , Konrad Schindler , Thomas Pock

Existing segmentation models trained on a single medical imaging dataset often lack robustness when encountering unseen organs or tumors. Developing a robust model capable of identifying rare or novel tumor categories not present during…

计算机视觉与模式识别 · 计算机科学 2025-07-02 Rong Wu , Ziqi Chen , Liming Zhong , Heng Li , Hai Shu

Deep matrix factorizations (deep MFs) are recent unsupervised data mining techniques inspired by constrained low-rank approximations. They aim to extract complex hierarchies of features within high-dimensional datasets. Most of the loss…

机器学习 · 计算机科学 2023-01-26 Pierre De Handschutter , Nicolas Gillis

This is a tutorial introduction to the functional analysis mathematics needed in many physical problems, such as in waves in continuous media. Functional analysis takes us beyond finite matrices, allowing us to work with infinite sets of…

泛函分析 · 数学 2019-04-15 David A. B. Miller

The strong contraction mapping, a self-mapping that the range is always a subset of the domain, admits a unique fixed-point which can be pinned down by the iteration of the mapping. We introduce a topological non-convex optimization method…

综合数学 · 数学 2019-03-25 Siwei Luo

In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…

材料科学 · 物理学 2010-04-23 Gregory C. Dente

Derivative-free optimization (DFO) has recently gained a lot of momentum in machine learning, spawning interest in the community to design faster methods for problems where gradients are not accessible. While some attention has been given…

最优化与控制 · 数学 2020-08-04 Yuwen Chen , Antonio Orvieto , Aurelien Lucchi

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

材料科学 · 物理学 2022-11-21 Yusuke Nomura , Ryosuke Akashi

The thermodynamic approach to density functional theory (DFT) is used to derive a versatile theoretical framework for the treatment of finite-temperature (and in the limit, zero temperature) Bose-Einstein condensates (BECs). The simplest…

量子气体 · 物理学 2015-05-20 Nathan Argaman , Y. B. Band

To describe longitudinal fine structure like microbunching within a particle beam, a classical approach is to define a bunching factor which is the Fourier transform of the particle longitudinal density distribution. Such a 1D definition of…

加速器物理 · 物理学 2025-11-12 Xiujie Deng

While Diffusion Monte Carlo (DMC) is in principle an exact stochastic method for \textit{ab initio} electronic structure calculations, in practice the fermionic sign problem necessitates the use of the fixed-node approximation and trial…

We introduce a new class of asymptotic contractions that employs two quasi-metrics defined directly in terms of the underlying mapping. The contraction condition compares these two quantities via a sequence of bounding functions that…

泛函分析 · 数学 2026-04-20 Jie Shi

In this work, we combine a new form of the cell survival fraction developed in [29] with the Gompertz cell growth model. The result is an equation that models the cell growth/death under a radiation dose and can be applied in a conventional…

生物物理 · 物理学 2017-11-01 Diego Saldaña Ulloa