arXiv Machine Learning By Barbara Tarantino, Gennaro Auricchio, Paolo Giudici

I-SAFE: Wasserstein Coherence Metrics for Structural Auditing of Scientific AI Models

Read the original on arXiv Machine Learning →

arXiv:2605. 21731v2 Announce Type: replace Abstract: Deep learning models are increasingly used in scientific prediction tasks where strong benchmark performance is often interpreted as evidence of scientifically meaningful behavior.

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arXiv Machine Learning
Jun 18

Contextualizing Biological Language Models across Modalities via Logit-Space Contrastive Alignment

arXiv:2606. 18703v1 Announce Type: new Abstract: Pretrained biological language models expose per-token probability distributions through masked-token prediction, providing the likelihood interface central to sequence design, variant scoring, and mechanistic interpretation.

By Yanjun Shao, Yundi Chen, Yashvi Patel, Aurelien Pelissier, Mar\'ia Rodr\'iguez Mart\'inez
arXiv AI
Jul 21

Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion

arXiv:2607. 17601v1 Announce Type: cross Abstract: Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction to trust.

By Yongchan Hong, Defu Cao, Wenjin Liu, Thomas Ku, Jordy Homing Lam, Emily Nguyen, Willie Neiswanger, Vsevolod Katritch, Yan Liu
arXiv Machine Learning
Jul 21

Differentiable latent structure discovery for interpretable forecasting in clinical time series

arXiv:2604. 27967v2 Announce Type: replace Abstract: Background: We introduce StructGP, a continuous-time multi-task Gaussian process that couples process convolutions with differentiable structure learning to uncover a sparse, ordered directed acyclic graph (DAG) of inter-variable dependencies while preserving principled uncertainty.

By Ivan Lerner, Jean Feydy, Alexandre Kalimouttou, Anita Burgun, Francis Bach