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Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments.…

Machine Learning · Computer Science 2025-11-03 Matteo Ninniri , Marco Podda , Davide Bacciu

Generative diffusion processes are an emerging and effective tool for image and speech generation. In the existing methods, the underlying noise distribution of the diffusion process is Gaussian noise. However, fitting distributions with…

Signal Processing · Electrical Eng. & Systems 2021-10-13 Eliya Nachmani , Robin San Roman , Lior Wolf

In many biochemical processes, proteins bound to DNA at distant sites are brought into close proximity by loops in the underlying DNA. For example, the function of some gene-regulatory proteins depends on such DNA looping interactions. We…

Quantitative Methods · Quantitative Biology 2009-11-13 John F Beausang , Philip C Nelson

Existing music generation models are mostly language-based, neglecting the frequency continuity property of notes, resulting in inadequate fitting of rare or never-used notes and thus reducing the diversity of generated samples. We argue…

Sound · Computer Science 2024-08-06 Shipei Liu , Xiaoya Fan , Guowei Wu

Denoising diffusions are state-of-the-art generative models exhibiting remarkable empirical performance. They work by diffusing the data distribution into a Gaussian distribution and then learning to reverse this noising process to obtain…

Machine Learning · Statistics 2024-02-20 Joe Benton , Yuyang Shi , Valentin De Bortoli , George Deligiannidis , Arnaud Doucet

For optimizing a non-convex function in finite dimension, a method is to add Brownian noise to a gradient descent, allowing for transitions between basins of attractions of different minimizers. To adapt this for optimization over a space…

Probability · Mathematics 2025-05-13 Pierre Germain , Pierre Monmarché

{\it Transcription} is the process whereby RNA molecules are polymerized by molecular machines, called RNA polymerase (RNAP), using the corresponding DNA as the template. Recent {\it in-vivo} experiments with single cells have established…

Biological Physics · Physics 2009-11-13 Tripti Tripathi , Debashish Chowdhury

The recent development of single-cell transcriptomics has enabled gene expression to be measured in individual cells instead of being population-averaged. Despite this considerable precision improvement, inferring regulatory networks…

Molecular Networks · Quantitative Biology 2017-11-28 Ulysse Herbach , Arnaud Bonnaffoux , Thibault Espinasse , Olivier Gandrillon

The regulation of cellular function is often controlled at the level of gene transcription. Such genetic regulation usually consists of interacting networks, whereby gene products from a single network can act to control their own…

Biological Physics · Physics 2009-11-06 Jeff Hasty , Joel Pradines , Milos Dolnik , J. J. Collins

The telegraph model is the standard model of stochastic gene expression, which can be solved exactly to obtain the distribution of mature RNA numbers per cell. A modification of this model also leads to an analytical distribution of the…

Subcellular Processes · Quantitative Biology 2023-08-17 Juraj Szavits-Nossan , Ramon Grima

The intrinsic stochasticity of gene expression is usually mitigated in higher eukaryotes by post-transcriptional regulation channels that stabilise the output layer, most notably protein levels. The discovery of small non-coding RNAs…

Molecular Networks · Quantitative Biology 2016-04-12 Silvia Grigolon , Francesca Di Patti , Andrea De Martino , Enzo Marinari

MicroRNAs are small noncoding RNAs that regulate genes post-transciptionally by binding and degrading target eukaryotic mRNAs. We use a quantitative model to study gene regulation by inhibitory microRNAs and compare it to gene regulation by…

Molecular Networks · Quantitative Biology 2013-09-10 Javad Noorbakhsh , Alex Lang , Pankaj Mehta

Even in the steady-state, the number of biomolecules in living cells fluctuates dynamically; and the frequency spectrum of this chemical fluctuation carries valuable information about the mechanism and the dynamics of the intracellular…

Biological Physics · Physics 2018-08-21 Sanggeun Song , Gil-Suk Yang , Seong Jun Park , Ji-Hyun Kim , Jaeyoung Sung

Advances in nanotechnology have allowed scientists to study biological processes on an unprecedented nanoscale molecule-by-molecule basis, opening the door to addressing many important biological problems. A phenomenon observed in recent…

Applications · Statistics 2008-07-25 S. C. Kou

Diffusion models are powerful generative models that map noise to data using stochastic processes. However, for many applications such as image editing, the model input comes from a distribution that is not random noise. As such, diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Linqi Zhou , Aaron Lou , Samar Khanna , Stefano Ermon

Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative…

Machine Learning · Computer Science 2022-03-16 Minkai Xu , Lantao Yu , Yang Song , Chence Shi , Stefano Ermon , Jian Tang

Diffusion models (DMs) are a powerful generative framework that have attracted significant attention in recent years. However, the high computational cost of training DMs limits their practical applications. In this paper, we start with a…

Machine Learning · Computer Science 2024-04-12 Tianshuo Xu , Peng Mi , Ruilin Wang , Yingcong Chen

Modeling count-valued time series has been receiving increasing attention since count time series naturally arise in physical and social domains. Poisson gamma dynamical systems (PGDSs) are newly-developed methods, which can well capture…

Machine Learning · Computer Science 2024-03-01 Rui Huang , Sikun Yang , Heinz Koeppl

Exploiting the information provided by the molecular noise of a biological process has proven to be valuable in extracting knowledge about the underlying kinetic parameters and sources of variability from single cell measurements. However,…

Quantitative Methods · Quantitative Biology 2013-08-30 Jakob Ruess , Andreas Milias-Argeitis , John Lygeros

We derive a minimalist but powerful deterministic denoising-diffusion model. While denoising diffusion has shown great success in many domains, its underlying theory remains largely inaccessible to non-expert users. Indeed, an understanding…

Graphics · Computer Science 2023-05-08 Eric Heitz , Laurent Belcour , Thomas Chambon
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