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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…

Computer Vision and Pattern Recognition · Computer Science 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…

Methodology · Statistics 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…

Statistical Mechanics · Physics 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…

Data Analysis, Statistics and Probability · Physics 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…

Chemical Physics · Physics 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…

Analysis of PDEs · Mathematics 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Machine Learning · Computer Science 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…

Functional Analysis · Mathematics 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…

General Mathematics · Mathematics 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…

Materials Science · Physics 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…

Optimization and Control · Mathematics 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…

Materials Science · Physics 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…

Quantum Gases · Physics 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…

Accelerator Physics · Physics 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…

Functional Analysis · Mathematics 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…

Biological Physics · Physics 2017-11-01 Diego Saldaña Ulloa