arXiv Machine Learning

scDEFT: A deep learning framework for drug-effect prediction and counterfactual reasoning

scDEFT is a deep learning framework that treats a drug as a conditioning operator on single‑cell representations, enabling prediction of drug‑induced state changes and responder status. The model learns drug‑conditioned cell latents via feature‑wise linear modulation, aggregates them over transcriptional neighborhoods, and ranks latent dimensions to identify genes distinguishing responders from non‑responders. Applied to a harmonized inflammatory bowel disease atlas of 1.16 million cells, scDEFT achieves 45% of the baseline‑to‑reproducibility ceiling in state‑change prediction and stratifies responders before treatment with an AUROC of 0.70, outperforming standard predictors.

Hugging Face Trending Papers

Jul 6

Predicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representations

Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles. Preclinical transfer-learning models can simulate drug-induced expression changes but are often hard to interpret and unstable, whereas knowledge-graph methods provide mechanistic context yet remain static and fail to capture drug-induced transcriptomic perturbation dynamics.

rag diffusion benchmarks

arXiv AI

Jul 7

Predicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representations

arXiv:2607. 04557v1 Announce Type: cross Abstract: Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles.

By Dongmin Bang, Sugyun An, Inyoung Sung, Ilho Yun, Sun Kim, Sangseon Lee

rag diffusion benchmarks

arXiv Machine Learning

Aug 24

PerturbRx: Learning Treatment-Conditioned Latent Transitions for Patient Drug Response Prediction

PerturbRx is a treatment‑conditioned representation learning framework that learns latent transitions induced by drug interventions. It trains a drug‑ and dose‑conditioned transition predictor using control and treated single‑cell populations, then applies this predictor to pretreatment patient profiles to generate response features without needing post‑treatment data. On TCGA and patient‑derived xenograft benchmarks, PerturbRx outperforms other methods, demonstrating the value of perturbation‑pretrained latent transitions for patient‑level drug‑response prediction.

By Yoshitaka Inoue, Minoh Jeong, Alfred Hero, Rui Kuang, Augustin Luna

benchmarks

arXiv Machine Learning

Aug 26

A Multimodal Foundation Model for Longitudinal Patient Representation and Scalable Insight Generation in Oncology

arXiv:2608.24688v1 Announce Type: new Abstract: Precision oncology necessitates a longitudinal model of patient state that captures cancer evolution and treatment over time, integrating multimodal ob...

By Eugene Vorontsov, Yi Kan Wang, Alican Bozkurt, Adam Casson, Ludmila Tydlitatova, Michal Zelechowski, Ezra E. W. Cohen, Jyoti D. Patel, Max Banaszak, Caitlin McWilliams, Shane Colley, Kate Sasser, Ryan Fukushima, Eric Lefkofsky, Razik Yousfi, Siqi Liu

rag multimodal benchmarks

arXiv Machine Learning

Jul 24

Evaluation and Prognostic Validation of Deep Regression Models for WSI-Based Gene-Expression Prediction

arXiv:2410. 00945v2 Announce Type: replace-cross Abstract: Gene-expression profiling is widely used in research and central to many areas of precision oncology, but remains costly and not universally accessible.

By Fredrik K. Gustafsson, Constance Boissin, Johan Vallon-Christersson, Mattias Rantalainen

arXiv Machine Learning

Jun 10

TRAPS: Therapeutic Response Analysis via Pathway-informed Stratification

arXiv:2606. 09898v1 Announce Type: new Abstract: Cancer treatment planning requires decisions across multiple clinical dimensions at once.

By Sujoy Banik, Sayantan Chakraborty, Boishakhi Das Toma, Zainab Ghafoor, Ushashi Bhattacharjee, Koushik Howlader, Tirtho Roy

benchmarks

arXiv AI

Sep 25

SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion

SMILESGNN is a multimodal architecture that fuses a SMILES Transformer encoder with a GATv2 graph encoder through cross‑attention, enabling interpretable clinical toxicity predictions. The model retains an explicit graph branch, allowing GNNExplainer to identify substructures linked to toxicity. On the ClinTox dataset it achieves an AUC‑ROC of 0.987 and F1 of 0.906 with only 0.4 M parameters, while on Tox21 it attains a mean AUC‑ROC of 0.750, comparable to strong single‑modality baselines.

By Quang Minh Nguyen, Thuy Quynh Nguyen, Duc Minh Le, Ho Nhat Minh Nguyen, Thanh Long Dai Doan, Trong Nghia Nguyen

llms multimodal safety

arXiv Machine Learning

Aug 4

Beyond Gene Reconstruction: Learning Cell Representations through Complementary Transcriptomic Views

arXiv:2608. 00985v1 Announce Type: new Abstract: The rapid growth of single-cell transcriptomic data has enabled the development of foundation models pretrained primarily by reconstructing masked expression values.

By Jiaqi Xiong, Yuntao hu, Yu Zheng, Yifei Shi, Xinyue Guo, Jiaxin Qi

arXiv Machine Learning

Jun 5

Causal Longitudinal Prior-Fitted Networks for Counterfactual Outcome Prediction

arXiv:2606. 05797v1 Announce Type: new Abstract: Longitudinal treatment decisions require predicting potential outcomes under future treatment sequences in the presence of time-varying confounding, heterogeneous patient dynamics, and limited domain-specific data.

By Amirhossein Zare, Amirhessam Zare, Herlock Rahimi, Reza Salarikia, Mohammad Kashkooli

benchmarks

arXiv Machine Learning

Aug 11

TRAPS: Treatment-Assignment Prediction via Pathway-informed Stratification

arXiv:2606. 09898v2 Announce Type: replace Abstract: Cancer treatment involves decisions across multiple clinical outcomes, yet pathway-informed deep learning models are typically evaluated in isolation, making their relative benefits unclear.

By Sujoy Banik, Sayantan Chakraborty, Boishakhi Das Toma, Zainab Ghafoor, Ushashi Bhattacharjee, Koushik Howlader, Tirtho Roy

benchmarks

Hugging Face Trending Papers

Aug 6

BioM-JEPA: joint-embedding prediction of graph-connected gene blocks in single cells

Single-cell transcriptomes are sparse observations of coordinated biological programmes, yet most self-supervised models learn by reconstructing individual genes. Here we present BioM-JEPA, a joint-embedding predictive architecture that instead predicts aggregate representations of graph-connected gene blocks defined by protein-association and corpus-derived coexpression evidence.

rag fine-tuning efficiency

arXiv AI

Jun 2

Plausibility Is Not Prediction: Contrastive Evidence for LLM-Based Cellular Perturbation Reasoning

arXiv:2606. 01042v1 Announce Type: cross Abstract: Perturbation experiments are central to understanding cellular mechanisms, but remain costly and sparse, motivating prediction of gene expression responses for unobserved conditions.

By Xinyu Yuan, Xixian Liu, Jianan Zhao, Yashi Zhang, Hongyu Guo, Jian Tang

llms

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