scPPDM: A Diffusion Model for Single-Cell Drug-Response Prediction
- URL: http://arxiv.org/abs/2510.11726v1
- Date: Wed, 08 Oct 2025 16:17:39 GMT
- Title: scPPDM: A Diffusion Model for Single-Cell Drug-Response Prediction
- Authors: Zhaokang Liang, Shuyang Zhuang, Xiaoran Jiao, Weian Mao, Hao Chen, Chunhua Shen,
- Abstract summary: This paper introduces scPPDM, the first diffusion-based framework for single-cell drug-response prediction from scRNA-seq data.<n>scPPDM couples two condition channels, pre-perturbation state and drug with dose, in a unified latent space via non-concatenative GD-Attn.
- Score: 44.96130504547205
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: This paper introduces the Single-Cell Perturbation Prediction Diffusion Model (scPPDM), the first diffusion-based framework for single-cell drug-response prediction from scRNA-seq data. scPPDM couples two condition channels, pre-perturbation state and drug with dose, in a unified latent space via non-concatenative GD-Attn. During inference, factorized classifier-free guidance exposes two interpretable controls for state preservation and drug-response strength and maps dose to guidance magnitude for tunable intensity. Evaluated on the Tahoe-100M benchmark under two stringent regimes, unseen covariate combinations (UC) and unseen drugs (UD), scPPDM sets new state-of-the-art results across log fold-change recovery, delta correlations, explained variance, and DE-overlap. Representative gains include +36.11%/+34.21% on DEG logFC-Spearman/Pearson in UD over the second-best model. This control interface enables transparent what-if analyses and dose tuning, reducing experimental burden while preserving biological specificity.
Related papers
- Denoising diffusion networks for normative modeling in neuroimaging [1.0195618602298684]
Most neuroimaging pipelines fit one model per imaging-derived phenotype (IDP)<n>We propose denoising diffusion probabilistic models (DDPMs) as a unified conditional density estimator for IDPs.<n>We evaluate on a synthetic benchmark with heteroscedastic and multimodal age effects and on UK Biobank FreeSurfer phenotypes, scaling from dimension of 2 to 200.
arXiv Detail & Related papers (2026-01-24T06:19:10Z) - Prior-Guided Residual Diffusion: Calibrated and Efficient Medical Image Segmentation [11.375625987308927]
Prior-Guided Residual Diffusion (PGRD) is a diffusion-based framework that learns voxel-wise distributions.<n> evaluated on representative MRI and CT datasets.
arXiv Detail & Related papers (2025-09-01T10:13:15Z) - Adversarial Distribution Matching for Diffusion Distillation Towards Efficient Image and Video Synthesis [65.77083310980896]
We propose Adrial Distribution Matching (ADM) to align latent predictions between real and fake score estimators for score distillation.<n>Our proposed method achieves superior one-step performance on SDXL compared to DMD2 while consuming less GPU time.<n>Additional experiments that apply multi-step ADM distillation on SD3-Medium, SD3.5-Large, and CogVideoX set a new benchmark towards efficient image and video synthesis.
arXiv Detail & Related papers (2025-07-24T16:45:05Z) - Unlasting: Unpaired Single-Cell Multi-Perturbation Estimation by Dual Conditional Diffusion Implicit Bridges [68.98973318553983]
We propose a framework based on Dual Diffusion Implicit Bridges (DDIB) to learn the mapping between different data distributions.<n>We integrate gene regulatory network (GRN) information to propagate perturbation signals in a biologically meaningful way.<n>We also incorporate a masking mechanism to predict silent genes, improving the quality of generated profiles.
arXiv Detail & Related papers (2025-06-26T09:05:38Z) - Accelerating Drug Safety Assessment using Bidirectional-LSTM for SMILES Data [0.0]
Bi-Directional Long Short Term Memory (BiLSTM) is a variant of Recurrent Neural Network (RNN) that processes input molecular sequences.
The proposed work aims to understand the sequential patterns encoded in the SMILES strings, which are then utilised for predicting the toxicity of the molecules.
arXiv Detail & Related papers (2024-07-08T18:12:11Z) - Your Absorbing Discrete Diffusion Secretly Models the Conditional Distributions of Clean Data [55.54827581105283]
We show that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data.<n>We propose a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities.<n>Our models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks.
arXiv Detail & Related papers (2024-06-06T04:22:11Z) - Regressor-free Molecule Generation to Support Drug Response Prediction [83.25894107956735]
Conditional generation based on the target IC50 score can obtain a more effective sampling space.
Regressor-free guidance combines a diffusion model's score estimation with a regression controller model's gradient based on number labels.
arXiv Detail & Related papers (2024-05-23T13:22:17Z) - Bayesian Prognostic Covariate Adjustment With Additive Mixture Priors [0.3749861135832073]
We propose a new Bayesian prognostic covariate adjustment methodology, referred to as Bayesian PROCOVA.
It is based on generative artificial intelligence (AI) algorithms that construct a digital twin generator (DTG) for RCT participants.
The DTG is trained on historical control data and yields a digital twin (DT) probability distribution for each RCT participant's outcome under the control treatment.
We establish an efficient Gibbs algorithm for sampling from the posterior distribution, and derive closed-form expressions for the posterior mean and variance of the treatment effect parameter conditional on the weight.
arXiv Detail & Related papers (2023-10-27T10:05:06Z) - Non-invasive Waveform Analysis for Emergency Triage via Simulated
Hemorrhage: An Experimental Study using Novel Dynamic Lower Body Negative
Pressure Model [3.0180851707924243]
The present study explores the discriminative ability of a deep learning (DL) framework to classify levels of ongoing hypovolemia.
We used a dynamic LBNP protocol as opposed to the traditional model, where LBNP is applied in a predictable step-wise, progressively descending manner.
A supervised DL-based framework for ternary classification was realized by segmenting the underlying noninvasive signal and labeling segments with corresponding LBNP target levels.
arXiv Detail & Related papers (2023-03-01T12:37:52Z) - Flexible Amortized Variational Inference in qBOLD MRI [56.4324135502282]
Oxygen extraction fraction (OEF) and deoxygenated blood volume (DBV) are more ambiguously determined from the data.
Existing inference methods tend to yield very noisy and underestimated OEF maps, while overestimating DBV.
This work describes a novel probabilistic machine learning approach that can infer plausible distributions of OEF and DBV.
arXiv Detail & Related papers (2022-03-11T10:47:16Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.