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Near-degenerate electronic structures remain a major challenge for conventional single-reference density functional theory (DFT). To address this problem, we propose time-dependent $\Delta$SCF (TD$\Delta$SCF), a novel linear-response scheme…

Chemical Physics · Physics 2026-05-12 Shuto Shibasaki , Fumiya Mohri , Takashi Tsuchimochi

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

Machine Learning · Computer Science 2023-10-12 Salva Rühling Cachay , Bo Zhao , Hailey Joren , Rose Yu

We present a combined analytical and numerical approach based on the Mori projection operator formalism and Monte Carlo simulations to study surface diffusion within the lattice-gas model. In the present theory, the average jump rate and…

Soft Condensed Matter · Physics 2009-10-30 T. Hjelt , I. Vattulainen , J. Merikoski , T. Ala-Nissila , S. C. Ying

In this paper we explore numerically the evolution of a warped accretion disc. Here, we focus here on the regime where the warp evolves diffusively. By comparing the numerical results to a simple diffusion model, we are able to determine…

Astrophysics · Physics 2009-11-13 Giuseppe Lodato , J. E. Pringle

Ai et al. (2021) studied the estimation of a general dose-response function (GDRF) of a continuous treatment that includes the average dose-response function, the quantile dose-response function, and other expectiles of the dose-response…

Methodology · Statistics 2026-02-03 Chunrong Ai , Wei Huang , Zheng Zhang

Diffusion models have achieved remarkable success in generating samples from unknown data distributions. Most popular stochastic differential equation-based diffusion models perturb the target distribution by adding Gaussian noise,…

Machine Learning · Statistics 2026-05-20 Wenpin Tang , Nizar Touzi , Zikun Zhang , Xun Yu Zhou

A growing number of biological, soft, and active matter systems are observed to exhibit normal diffusive dynamics with a linear growth of the mean squared displacement, yet with a non-Gaussian distribution of increments. Based on the…

Statistical Mechanics · Physics 2017-04-12 A. V. Chechkin , F. Seno , R. Metzler , I. M. Sokolov

This Point spread function (PSF) plays a crucial role in many computational imaging applications, such as shape from focus/defocus, depth estimation, and fluorescence microscopy. However, the mathematical model of the defocus process is…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Renzhi He , Yan Zhuang , Boya Fu , Fei Liu

The present work provides a critical assessment of numerical solutions of the space-fractional diffusion-advection equation, which is of high significance for applications in various natural sciences. In view of the fact that, in contrast…

Statistical Mechanics · Physics 2014-10-27 Robin Stern , Frederic Effenberger , Horst Fichtner , Tobias Schaefer

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not…

Machine Learning · Computer Science 2025-09-03 An B. Vuong , Michael T. McCann , Javier E. Santos , Yen Ting Lin

Two-wave with diffuse power (TWDP) is one of the most promising models for description of small-scale fading effects in emerging wireless networks. However, its current statistical characterization has several fundamental issues. Primarily,…

Signal Processing · Electrical Eng. & Systems 2021-11-29 A. Maric , P. Njemcevic , E. Kaljic

In a recent paper, Michael J. Saxton proposes to interpret as anomalous diffusion the occurrence of apparent transient sub-diffusive regimes in mean-squared displacements (MSD) plots, calculated from experimental trajectories of molecules…

Subcellular Processes · Quantitative Biology 2009-11-13 Nicolas Destainville , Aude Sauliere , Laurence Salome

With the increasing deployment of facial image data across a wide range of applications, efficient compression tailored to facial semantics has become critical for both storage and transmission. While recent learning-based face image…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Yimin Zhou , Yichong Xia , Bin Chen , Mingyao Hong , Jiawei Li , Zhi Wang , Yaowei Wang

Purpose: To examine whether an advanced gradient pre-emphasis approach based on the gradient system transfer function (GSTF) can mitigate artifacts caused by residual unbalanced gradients in Cartesian balanced steady-state free precession…

Medical Physics · Physics 2023-07-06 Hannah Scholten , Herbert Köstler , Anne Slawig

Diffusion or score-based models recently showed high performance in image generation. They rely on a forward and a backward stochastic differential equations (SDE). The sampling of a data distribution is achieved by numerically solving the…

Machine Learning · Computer Science 2025-06-04 Emile Pierret , Bruno Galerne

Radiation therapy serves as an effective and standard method for cancer treatment. Excellent radiation therapy plans always rely on high-quality dose distribution maps obtained through repeated trial and error by experienced experts.…

Image and Video Processing · Electrical Eng. & Systems 2023-12-12 Linjie Fu , Xia Li , Xiuding Cai , Yingkai Wang , Xueyao Wang , Yu Yao , Yali Shen

Generative diffusion models use time-forward and backward stochastic differential equations to connect the data and prior distributions. While conventional diffusion models (e.g., score-based models) only learn the backward process, more…

Machine Learning · Computer Science 2024-12-25 Kentaro Kaba , Reo Shimizu , Masayuki Ohzeki , Yuki Sughiyama

The silo discharge process is studied by molecular dynamics simulations. The development of the velocity profile and the probability density function for the displacements in the horizontal and vertical axis are obtained. The PDFs obtained…

Statistical Mechanics · Physics 2009-11-11 R. Arevalo , A. Garcimartin , D. Maza

Discrete diffusion models have emerged as powerful tools for high-quality data generation. Despite their success in discrete spaces, such as text generation tasks, the acceleration of discrete diffusion models remains under-explored. In…

Machine Learning · Computer Science 2024-12-09 Zixiang Chen , Huizhuo Yuan , Yongqian Li , Yiwen Kou , Junkai Zhang , Quanquan Gu

Diffusion Probabilistic Models (DPMs) have achieved strong generative performance, yet their inductive biases remain largely implicit. In this work, we aim to build inductive biases into the training and sampling of diffusion models to…

Machine Learning · Computer Science 2025-12-11 Luca Scimeca , Thomas Jiralerspong , Berton Earnshaw , Jason Hartford , Yoshua Bengio