Hugging Face Trending Papers
Joint Flow Matching Enables Continuous Dose-Conditioned Cell Morphing
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arXiv Machine Learning
Jun 2
Genotype-Conditioned Molecular Generation via Evidence-Grounded Multi-Objective Latent Perturbation in Diffusion Models
arXiv:2606. 01461v1 Announce Type: new Abstract: Developing effective anticancer therapeutics remains challenging due to tumor heterogeneity and the absence of well-defined molecular targets across cancer subtypes.
arXiv Machine Learning
Jun 2
Flow-Based Density Ratio Estimation for Intractable Distributions with Applications in Genomics
arXiv:2602. 24201v2 Announce Type: replace Abstract: Estimating density ratios between pairs of intractable data distributions is a core problem in probabilistic modeling, enabling principled comparisons of sample likelihoods under different data-generating processes across conditions.
arXiv Machine Learning
Jun 9
Active Flow Expansion for Out-of-Distribution Discovery: from Theory to Molecules
arXiv:2606. 08802v1 Announce Type: new Abstract: Standard flow and diffusion pre-training matches the distribution of available data (e.
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.
arXiv Machine Learning
Aug 4
Fused Bayesian Flow Networks for Dual-Target Molecular Design
arXiv:2608. 01007v1 Announce Type: new Abstract: Dual-target drug design aims to generate 3D molecules that can simultaneously interact with two target proteins, offering a promising route for discovering polypharmacological compounds against complex diseases.
arXiv Machine Learning
Aug 4
Refine Drugs, Don't Complete Them: Uniform-Source Discrete Flows for Fragment-Based Drug Discovery
arXiv:2509. 26405v2 Announce Type: replace Abstract: We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules.