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The development of a materials synthesis route is usually based on heuristics and experience. A possible new approach would be to apply data-driven approaches to learn the patterns of synthesis from past experience and use them to predict…

Large language models can extract local causal claims from text, but those claims become more useful when organized as persistent, navigable world models rather than as flat summaries. We introduce PROMETHEUS, a framework that turns…

Artificial Intelligence · Computer Science 2026-05-14 Sridhar Mahadevan

Automatic design with machine learning and molecular simulations has shown a remarkable ability to generate new and promising drug candidates. Current models, however, still have problems in simulation concurrency and molecular diversity.…

Chemical Physics · Physics 2018-10-31 Naruki Yoshikawa , Kei Terayama , Teruki Honma , Kenta Oono , Koji Tsuda

Retrieval-augmented generation (RAG) grounds large language models in external medical knowledge, yet standard retrievers frequently surface hard negatives that are semantically close to the query but describe clinically distinct…

Information Retrieval · Computer Science 2026-04-07 Byeolhee Kim , Min-Kyung Kim , Young-Hak Kim , Tae-Joon Jeon

Timeline Generation aims at summarizing news from different epochs and telling readers how an event evolves. It is a new challenge that combines salience ranking with novelty detection. For long-term public events, the main topic usually…

Computation and Language · Computer Science 2017-03-16 Rumeng Li , Tao Wang , Xun Wang

Ensuring the generalisability of clinical machine learning (ML) models across diverse healthcare settings remains a significant challenge due to variability in patient demographics, disease prevalence, and institutional practices. Existing…

Machine Learning · Computer Science 2025-04-30 Bradley Segal , Joshua Fieggen , David Clifton , Lei Clifton

Due to large number of entities in biomedical knowledge bases, only a small fraction of entities have corresponding labelled training data. This necessitates entity linking models which are able to link mentions of unseen entities using…

Computation and Language · Computer Science 2021-04-12 Rico Angell , Nicholas Monath , Sunil Mohan , Nishant Yadav , Andrew McCallum

Currently, there are many difficulties regarding the interoperability of medical data and related population data sources. These complications get in the way of the generation of high-quality data sets at city, region and national levels.…

Computers and Society · Computer Science 2023-10-13 Anna Andreychenko , Viktoriia Korzhuk , Stanislav Kondratenko , Polina Cheraneva

Can language models read biomedical texts and explain the biomedical mechanisms discussed? In this work we introduce a biomedical mechanism summarization task. Biomedical studies often investigate the mechanisms behind how one entity (e.g.,…

Computation and Language · Computer Science 2023-01-13 Mohaddeseh Bastan , Nishant Shankar , Mihai Surdeanu , Niranjan Balasubramanian

Medical report generation is one of the most challenging tasks in medical image analysis. Although existing approaches have achieved promising results, they either require a predefined template database in order to retrieve sentences or…

Computation and Language · Computer Science 2021-06-14 Xingyi Yang , Muchao Ye , Quanzeng You , Fenglong Ma

Recent surge in the accessibility of large language models (LLMs) to the general population can lead to untrackable use of such models for medical-related recommendations. Language generation via LLMs models has two key problems: firstly,…

Computation and Language · Computer Science 2024-07-24 Ioana Buhnila , Aman Sinha , Mathieu Constant

This paper presents a comprehensive systematic review of generative models (GANs, VAEs, DMs, and LLMs) used to synthesize various medical data types, including imaging (dermoscopic, mammographic, ultrasound, CT, MRI, and X-ray), text,…

Clinical evidence underpins informed healthcare decisions, yet integrating it into real-time practice remains challenging due to intensive workloads, complex procedures, and time constraints. This study presents Quicker, an LLM-powered…

Inductive reasoning enables humans to infer abstract rules from limited examples and apply them to novel situations. In this work, we compare an LLM-based hypothesis search framework with direct program generation approaches on few-shot…

Artificial Intelligence · Computer Science 2025-09-03 Aishni Parab , Hongjing Lu , Ying Nian Wu , Sumit Gulwani

Large-scale scientific datasets -- spanning health biobanks, cell atlases, Earth reanalyses, and more -- create opportunities for exploratory discovery unconstrained by specific research questions. We term this process hypothesis hunting:…

Artificial Intelligence · Computer Science 2025-10-13 Tennison Liu , Silas Ruhrberg Estévez , David L. Bentley , Mihaela van der Schaar

Foundation models in digital pathology use massive datasets to learn useful compact feature representations of complex histology images. However, there is limited transparency into what drives the correlation between dataset size and…

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

LLMs are increasingly deployed in high-stakes domains such as medical triage and legal assistance, often as document-grounded QA systems in which a user provides a description, relevant sources are retrieved, and an LLM generates a…

Computation and Language · Computer Science 2026-03-09 Maksym Taranukhin , Shuyue Stella Li , Evangelos Milios , Geoff Pleiss , Yulia Tsvetkov , Vered Shwartz

Hierarchical models are versatile tools for joint modeling of data sets arising from different, but related, sources. Fully Bayesian inference may, however, become computationally prohibitive if the source-specific data models are complex,…

Computation · Statistics 2016-05-06 Ritabrata Dutta , Paul Blomstedt , Samuel Kaski

The rapid growth of biomedical literature and curated databases has made it increasingly difficult for researchers to systematically connect biomarker mechanisms to actionable drug combination hypotheses. We present AI Co-Scientist (CoDHy),…

Computation and Language · Computer Science 2026-03-03 Raneen Younis , Suvinava Basak , Lukas Chavez , Zahra Ahmadi
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