arXiv AI

From Scores to Safe Sets: Exact Safety--Constrained Decoding for Medication Recommendation

The paper compares local repair methods for medication recommendation with an exact global decoder that uses mixed‑integer linear programming to enforce drug–drug interaction constraints. Using fixed medication scores from FLAME on MIMIC‑III, the global decoder consistently outperforms greedy, degree‑aware, and 1‑swap repair strategies, especially under tighter DDI constraints, achieving up to +0.0064 higher Jaccard similarity on the test split. The study demonstrates that the way scores are mapped to a feasible medication set can significantly influence prediction quality, even when the underlying clinical model is frozen.

arXiv AI
6d ago

HEM-Med: A Hierarchical Agentic Memory Framework for Safe Multi-Center Medication Recommendation

HEM-Med introduces a hierarchical agentic memory framework for safe multi‑center medication recommendation, addressing two key gaps in existing methods. It disentangles cross‑hospital clinical experience from hospital‑specific prescribing patterns via a hierarchical memory module, and incorporates a safety‑aware medication set generation module that considers drug‑drug interactions and local formulary constraints. Experiments on a real‑world multi‑center eICU dataset demonstrate that HEM‑Med outperforms representative transfer learning, LLM‑based, and MR baselines in both recommendation accuracy and safety.

By Min Xiao, Jin Li, Shoujin Wang, Yeguang Zhen, Yishuo Li, Wenpeng Lu
arXiv Machine Learning
Oct 3

HADRec: A Hierarchy-Aware Drug Recommendation Framework by Fusing Molecular Knowledge and Electronic Health Record

HADRec is a Hierarchy-Aware Drug Recommendation framework that fuses molecular knowledge and electronic health records to improve medication recommendation. It uses LLaMA-7B to encode clinical notes, ChemBERTa to encode drug SMILES strings, and a cross‑attention mechanism for multimodal fusion, while a hierarchical predictor and consistency constraint loss enforce adherence to the ATC classification system. Experiments on MIMIC‑III and MIMIC‑IV show state‑of‑the‑art performance, strong generalization, and well‑calibrated predictions, with counterfactual evaluation indicating clinically aligned reasoning.

By Junke Wang, Hongshun Ling, Li Zhang, Jinjing Wu, Tong Shao, Fang Wang, Yuan Gao
arXiv Computation and Language
Sep 23

Learning Diagnostic Reasoning for Decision Support in Toxicology

The paper introduces DeToxR, a reinforcement‑learning‑enhanced large language model designed to support decision making in acute toxicology cases. It fuses unstructured narratives from paramedics and patients with structured vital‑sign data to predict co‑ingested substances across 14 classes. In preliminary validation, DeToxR outperforms baseline models, achieving higher micro‑F1 and recall scores for poison identification.

By Nico Oberl\"ander, David Bani-Harouni, Tobias Zellner, Nassir Navab, Florian Eyer, Matthias Keicher
arXiv Machine Learning
Jul 9

A Quiet Failure in Calibrated Virtual Screening: Marginal Conformal Prediction Under-Covers the Minority Class, and a Class-Conditional Fix Recovers It

arXiv:2607. 06605v1 Announce Type: new Abstract: Conformal prediction is being adopted in drug discovery to put an honest number on model reliability: pick an error rate alpha, and the method returns prediction sets containing the true label with probability at least 1 - alpha.

By Muhammadjon Tursunbadalov (School of Science and Technology, Champions College Prep, United States), Mustafojon Tursunbadalov (School of Science and Technology, Champions College Prep, United States)
arXiv AI
Oct 5

From Retrieval to Typed Decisions: Calibrated System One Models from Biomedical Sentence Encoders

The paper introduces SBERT2S1, a method that transforms Sentence-Transformers encoders into typed decision models for biomedical text, and presents BIODECIDE, a suite for evaluating such models, along with MEDLINE‑S1, a large training set of 243k decisions derived from NLM indexing. Experiments show that retrieval‑trained encoders improve zero‑shot matching of content‑bearing options, and that a prior‑fused residual (PFR) head benefits most from retrieval pre‑training, while a cross‑head (C) head generally outperforms PFR across all objectives. The authors also release code, data, and a model, and discuss calibration and reward‑normalisation effects in their RLCD recipe.

By Pritam Deka
arXiv AI
Jul 1

Training Therapeutic Judges and Multi-Agent Systems for Human-Aligned Mental Health Support

arXiv:2606. 30887v1 Announce Type: cross Abstract: Large language models show promise for mental health support, yet therapeutic quality improves only when evaluation functions as an actionable control signal rather than a passive metric.

By Mizanur Rahman, Abeer Badawi, Elahe Rahimi, Laleh Seyyed-Kalantari, Frank Rudzicz, Enamul Hoque, Elham Dolatabadi