bioRxiv Science⌕ Search

bioRxiv · 10.64898/2026.10.25.761717

Representation learning of somatic missense mutation landscapes across cancer types

Abstract

Somatic missense mutations are pervasive in cancer genomes, yet existing studies have largely compressed them into mutation burden, mutation signatures, or driver gene annotations. Such representations obscure mutation-specific context and higher-order dependencies, leaving the latent biological structure of somatic mutation landscapes insufficiently characterized by systematic, data-driven approaches. Here we present MMRL, a pan-cancer Missense Mutation Representation Learning framework that learns the representations directly from somatic missense mutation profiles. By integrating mutation-associated features including gene identity, trinucleotide context, AlphaMissense pathogenicity, amino acid substitution and protein positional information, MMRL uses self-supervised learning to capture higher-order patterns among missense mutations across ~50,000 tumor samples from diverse cancer types. Across three pan-cancer cohorts, MMRL embeddings consistently achieved higher cross-validated prognostic discrimination than TMB and remained significantly associated with overall survival after adjustment for cancer type and TMB, as well as age where available. This prognostic value was also observed among patients treated with immune checkpoint inhibitors. Unsupervised clustering analysis of MMRL embeddings identified nine mutation subtypes in the TCGA pan-cancer cohort, with distinct survival outcomes, cancer-type compositions and mutational signature profiles, indicating that the learned embedding space captured clinically and biologically meaningful structure. Attention-based analyses further indicated that MMRL captured context-dependent mutation patterns beyond mutation frequency and predicted pathogenicity. Together, MMRL provides a data-driven strategy for decoding somatic missense mutation landscape and may facilitate precision oncology.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Wang, Z.-L., Cai, M., Li, Z., Lin, Z., Yin, Y., Chen, Z., Yan, H., Quan, Z., Liao, J.-Y., Zheng, Y.. 2026-10-30. Representation learning of somatic missense mutation landscapes across cancer types. https://doi.org/10.64898/2026.10.25.761717

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related preprints

EMBER: Contextualized gene representations enable compositional prediction across cellular perturbations

Predicting the effects of individual and combined perturbations is central to identifying context-specific vulnerabilities and designing targeted interventions. Yet learning gene representations that integrate functional relationships with cellular state and transfer across perturbation tasks remains challenging. Here, we present EMBER, a gene-centric foundation model that learns context-dependent functional representations of genes. EMBER combines interaction-guided contrastive learning with masked expression reconstruction during pretraining on a single-cell corpus curated for diversity and balanced sampling across cell types and experimental batches. EMBER decouples gene representation learning from task-specific prediction through a composable embedding framework: the pretrained encoder remains frozen, while lightweight probes combine contextualized gene embeddings to predict individual and combined perturbation effects. The same pretrained representations support single-gene perturbation-response prediction, digenic interaction prediction, and multi-target drug-response prediction. EMBER improves cross-context perturbation-response prediction and genetic-interaction ranking relative to evaluated baselines. EMBER also prioritized SCFD1, a mediator of autophagosome-lysosome fusion, as a candidate dependency during mTOR inhibition. Together, these results establish contextualized gene embeddings as reusable building blocks for modeling genetic and pharmacological perturbations, supporting the prioritization of genetic interactions and context-specific interventions for experimental testing.

bioinformatics↗

Small molecule structure elucidation from NMR spectra with generative and reasoning models

Elucidating the structures of unknown small molecules remains a major challenge in chemistry, pharmacology, and drug discovery. While nuclear magnetic resonance (NMR) spectroscopy is the gold standard for structure elucidation, interpreting spectra remains labor-intensive and requires expert knowledge to navigate the vast space of possible structures. Here, we present an AI system for rapid, automated de novo structure elucidation that combines a molecular generative model with a scientific reasoning agent. Its generative component, ChefNMR2, is an atomic flow-matching model that predicts small-molecule structures from molecular formulae and one-dimensional 1H and 13C NMR spectra. ChefNMR2-Agent augments our generative model with large language models (LLMs) to reason over and refine candidate structures. Across diverse benchmarks, ChefNMR2 substantially outperforms existing tools, offering calibrated confidence estimates and two to three orders of magnitude faster inference than frontier LLMs. We use ChefNMR2-Agent to elucidate the structures of four novel natural products, matching human-chemist accuracy in a fraction of the time. Our work demonstrates how specialized generative models and general-purpose reasoning agents can unite to solve challenging scientific inverse problems and accelerate NMR structure elucidation, thus opening new possibilities for AI-driven small-molecule discovery across diverse disciplines.

bioinformatics↗

Digital twins forecast individual immune trajectories

The human immune system differs markedly between individuals and changes in response to infection, vaccination and treatment. AI virtual cells are being built to simulate cellular responses to perturbation. Yet these models, like most immune-response predictors, describe each person by a single pre-challenge measurement and forecast change from patterns pooled across people. Digital twins, updated with every new observation of an individual, could forecast how that person's immune state changes. Here we present ImmuneTwins, which builds these twins from single-cell profiles by personalizing a shared virtual-cell model with each individual's observations. In two external populations, ImmuneTwins reduced immune-age error by 32% and 42% relative to the best existing method. During repeated influenza vaccination, its twins predicted the direction of immune-cell change 35% more accurately than the best published method, and their error fell by 27% as observations accumulated. The twins revealed that immune cells and plasma proteins recover about half their deviation from a persistent personal reference within 90 days, whereas response size varies between challenges. They further localized B-cell remodelling in exceptional longevity and anticipated patient-specific immune trajectories during myeloma treatment. These results establish virtual-cell digital twins for forecasting individual immune change and identifying each person's characteristic immune features.

bioinformatics↗