arXiv AI

Auditing Retrieval-Augmented LLM Hypotheses for Longitudinal Cell Painting Morphology

arXiv:2607. 19415v1 Announce Type: cross Abstract: High-content morphological profiling (Cell Painting) yields sensitive, high-dimensional signatures of cellular state, but translating longitudinal morphology trajectories into interpretable biology remains difficult, especially for weak, chronic perturbations such as low-dose-rate ionizing radiation.

arXiv AI
2d ago

From Retrieval to Reasoning: Agentic Mechanism Prediction from Cell Painting Profiles

The paper introduces PhenoAIR, a reliability‑aware multi‑agent framework for predicting mechanisms of action (MOA) from Cell Painting morphological profiles. It treats retrieved neighbors as uncertain evidence, calibrating their reliability based on source, phenotype stability, and mechanism confusion, and refines predictions through controller‑guided evidence evaluation. PhenoAIR is benchmarked on JUMP Cell Painting data and outperforms both representation‑matching and LLM‑based baselines across controlled, realistic, and open‑world settings.

By Jiayuan Chen, Botao Yu, Tianyu Liu, Thai-Hoang Pham, Meng Wu, Ping Zhang
arXiv Machine Learning
Sep 24

Discover, Falsify, Revise: Auditing Input-Use Claims from Source Code to Predictive Contribution in Agent-Discovered Cell Models

The paper introduces CELLAUDIT, a method for auditing whether inputs claimed to influence predictive models actually do so. By testing if an input can enter the computation, whether predictions depend on it, and if that dependence improves observed responses, the authors evaluate agent-generated predictors on a morphology‑transcriptomics benchmark (BBBC047). Their findings show that many models claim compound contributions that are not supported by the data, and that falsification‑guided revisions can recover genuine input effects while improving performance.

By Mengran Li, Bo Li, Chengyang Zhang, Yang Yan, Jinfeng Xu, Zhenchao Tang
arXiv AI
Jun 3

CP-Agent: Context-Aware Multimodal Reasoning for Cellular Morphological Profiling under Chemical Perturbations

arXiv:2606. 03435v1 Announce Type: new Abstract: Cell Painting combines multiplexed fluorescent staining, high-content imaging, and quantitative analysis to generate high-dimensional phenotypic readouts to support diverse downstream tasks such as mechanism-of-action (MoA) inference, toxicity prediction, and construction of drug-disease atlases.

By Yuxin Zhang, Yiyao Li, Ping Shu Ho, Simon See, Zhenqin Wu, Kevin Tsia
arXiv AI
Aug 24

CellPath-Bench: A Multidimensional Benchmark for Whole-Slide Cellular Representations in Pathology Foundation Models

CellPath-Bench is a new benchmark that evaluates whole-slide cellular representations in pathology foundation models (PFMs) by using 25 spatially aligned H&E–Xenium tissue sections from 11 organs and over 7 million cells. It introduces metrics such as Cell Representation Advantage (CRA) and Cell Representation Transferability (CRT) to assess how well frozen PFMs encode cell-type information and generalize across tissue sections, datasets, and organs. The benchmark was applied to 30 PFMs, revealing significant model-dependent differences in cell-type decodability and cross-domain generalization, and offers a standardized framework for auditing cellular information in frozen PFM representations.

By Bokai Zhao, Yiyang Zhang, Hanqing Chao, Yawei Ma, Long Bai, Tai Ma, Minfeng Xu, Ming Song, Tianzi Jiang
arXiv Machine Learning
3d ago

Interpretable-by-Design Descriptor Portfolios Match a 2048-Dimensional Foundation Embedding on Low-Data Molecular Assays

The study evaluates whether a portfolio of compact, semantically named descriptor blocks can match the performance of a 2048‑dimensional CheMeleon embedding in low‑data molecular assays. Using a fixed 11‑dimensional physicochemical base and greedily adding provenance‑screened blocks, the portfolio achieves a mean test AUC of 0.762 across nine ADME/Tox assays, comparable to CheMeleon’s 0.764 and better than Mordred’s 0.756. The results meet a predeclared pooled parity threshold but not all per‑assay thresholds, and further analysis confirms the competitiveness of the auditable representation while highlighting unresolved assay‑level differences.

By Yiqi Yao, Miquel Duran-Frigola
arXiv Machine Learning
Aug 28

Predicting Quantifiability from Primary Screens to Prioritize Dose-Response Profiling

The paper introduces a framework to predict whether a compound’s potency can be quantified in dose‑response profiling, treating quantifiability as a separate triage goal from biological activity. It shows that features from low‑cost primary screens, rather than molecular structure, strongly predict quantifiability, and that this prediction holds across new chemical scaffolds and assay families. The authors argue that incorporating quantifiability predictions can better allocate expensive dose‑response resources.

By Sean Lim
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