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Diffusion models have demonstrated remarkable success in various domains, including molecular generation. However, conditional molecular generation remains a fundamental challenge due to an intrinsic trade-off between targeting specific…

Machine Learning · Computer Science 2024-11-04 Hojung Jung , Youngrok Park , Laura Schmid , Jaehyeong Jo , Dongkyu Lee , Bongsang Kim , Se-Young Yun , Jinwoo Shin

Understanding transcription factor dynamics is crucial for unraveling the regulatory mechanisms of gene expression that underpin cellular function and development. Measurements of transcription factor subcellular movements are essential for…

Quantitative Methods · Quantitative Biology 2025-03-20 Sharva V. Hiremath , Etika Goyal , Gregory T. Reeves , Cranos M. Williams

Existing PLMs generate protein sequences based on a single-condition constraint from a specific modality, struggling to simultaneously satisfy multiple constraints across different modalities. In this work, we introduce CFP-Gen, a novel…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Junbo Yin , Chao Zha , Wenjia He , Chencheng Xu , Xin Gao

The analysis of diffusion processes in real-world propagation scenarios often involves estimating variables that are not directly observed. These hidden variables include parental relationships, the strengths of connections between nodes,…

Social and Information Networks · Computer Science 2016-05-12 Shohreh Shaghaghian , Mark Coates

Stochasticity is a defining feature of the pairwise forces governing interactions in biological systems-from molecular motors to cell-cell adhesion-yet its consequences on large-scale dynamics remain poorly understood. Here, we show that…

Soft Condensed Matter · Physics 2025-08-27 Henry Alston , Raphael Voituriez , Thibault Bertrand

At the present time reliably established that probability density functions of gene expression of microarray experiments possess a number of universal properties. First of all these distributions have power asymptotic and secondly the shape…

Statistics Theory · Mathematics 2015-06-08 Viacheslav Saenko , Yurij Saenko

Truncated Levy flights are stochastic processes which display a crossover from a heavy-tailed Levy behavior to a faster decaying probability distribution function (pdf). Putting less weight on long flights overcomes the divergence of the…

Condensed Matter · Physics 2009-11-10 I. M. Sokolov , A. V. Chechkin , J. Klafter

We propose a novel conditional diffusion model for contextual portfolio optimization that learns the cross-sectional distribution of next-day stock returns conditioned on high-dimensional asset-specific factors. Our model leverages a…

Portfolio Management · Quantitative Finance 2026-04-17 Xuefeng Gao , Mengying He , Xuedong He

We consider a particle transport process in a one-dimensional system with a thin membrane, described by a normal diffusion equation. We consider two boundary conditions at the membrane that are linear combinations of integral operators,…

Statistical Mechanics · Physics 2022-05-24 Tadeusz Kosztołowicz , Aldona Dutkiewicz

Designing regulatory DNA elements with precise cell-type-specific activity is broadly relevant for cell engineering and gene therapy. Deep generative models can generate functional gene-regulatory elements, but existing methods struggle to…

Genomics · Quantitative Biology 2026-04-23 Animesh Awasthi , Raphael Bednarsky , Moritz Schaefer , Christoph Bock

Diffusion models have demonstrated significant promise in various generative tasks; however, they often struggle to satisfy challenging constraints. Our approach addresses this limitation by rethinking training-free loss-guided diffusion…

Machine Learning · Computer Science 2024-11-19 William Huang , Yifeng Jiang , Tom Van Wouwe , C. Karen Liu

This Communication reports a geometrical factor that is necessary in the diffusion boundary condition across surface steps. Specifically, this factor relates adatom concentration to its spatial gradient at a surface step, and it describes…

Materials Science · Physics 2015-06-03 Xiaobin Niu , Hanchen Huang

In order to survive, reproduce and (in multicellular organisms) differentiate, cells must control the concentrations of the myriad different proteins that are encoded in the genome. The precision of this control is limited by the inevitable…

Molecular Networks · Quantitative Biology 2013-08-01 Gasper Tkacik , Aleksandra M. Walczak , William Bialek

This paper is a continuation of [2] where a new model of biological invasions in the plane directed by a line was introduced. Here we include new features such as transport and reaction terms on the line. Their interaction with the pure…

Analysis of PDEs · Mathematics 2015-06-15 Henri Berestycki , Jean-Michel Roquejoffre , Luca Rossi

Bacterial plant pathogens rely on a battalion of transcription factors to fine-tune their response to changing environmental conditions and marshal the genetic resources required for successful pathogenesis. Prediction of transcription…

Genomics · Quantitative Biology 2013-06-27 Surya Saha , Magdalen Lindeberg

Transcription factors (TFs) interact with a multitude of binding sites on DNA and partner proteins inside cells. We investigate how nonspecific binding/unbinding to such decoy binding sites affects the magnitude and time-scale of random…

Subcellular Processes · Quantitative Biology 2015-04-15 Mohammad Soltani , Pavol Bokes , Zachary Fox , Abhyudai Singh

In modern scientific research, the objective is often to identify which variables are associated with an outcome among a large class of potential predictors. This goal can be achieved by selecting variables in a manner that controls the the…

Methodology · Statistics 2023-10-10 Yushu Shi , Michael Martens

Designing protein sequences with specific biological functions and structural stability is crucial in biology and chemistry. Generative models already demonstrated their capabilities for reliable protein design. However, previous models are…

Machine Learning · Computer Science 2024-02-28 Lin Zongying , Li Hao , Lv Liuzhenghao , Lin Bin , Zhang Junwu , Chen Calvin Yu-Chian , Yuan Li , Tian Yonghong

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

Biomolecules · Quantitative Biology 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

There is increasing evidence that protein binding to specific sites along DNA can activate the reading out of genetic information without coming into direct physical contact with the gene. There also is evidence that these distant but…

Subcellular Processes · Quantitative Biology 2019-12-19 William Bialek , Thomas Gregor , Gašper Tkačik