Conformal Prediction for Molecular Properties under Label Shift
arXiv:2608. 17678v1 Announce Type: new Abstract: Drug discovery and development underpins healthcare but remains costly and failure-prone.
arXiv:2605. 20468v2 Announce Type: replace Abstract: Effective medication management in Parkinson's Disease (PD) is challenging due to heterogeneous disease progression, variable patient response, and medication side effects.
arXiv:2608. 17678v1 Announce Type: new Abstract: Drug discovery and development underpins healthcare but remains costly and failure-prone.
arXiv:2607. 16675v1 Announce Type: cross Abstract: A point prediction that is well calibrated on average can still be systematically biased conditional on its own value, undermining its use in downstream decision-making.
arXiv:2509. 15120v2 Announce Type: replace Abstract: In high-stakes scenarios, such as medical imaging applications, it is critical to equip the predictions of a regression model with reliable confidence intervals.
arXiv:2505. 08784v2 Announce Type: replace-cross Abstract: As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety.
arXiv:2601. 21455v2 Announce Type: replace-cross Abstract: Conformal prediction(CP) has become a cornerstone of distribution-free uncertainty quantification, conventionally evaluated by its coverage and interval length.
arXiv:2606. 24604v1 Announce Type: new Abstract: Longitudinal modelling of Alzheimer's disease progression is clinically useful only if it can describe not just the most likely next diagnosis, but how a patient may evolve over time and how reliable that forecast is.
arXiv:2607. 15394v1 Announce Type: new Abstract: Black-box models limit the adoption of artificial intelligence in medicine due to their lack of interpretability and reproducibility.
arXiv:2508. 13362v2 Announce Type: replace Abstract: Conformal prediction (CP) is well-suited for uncertainty quantification in time series forecasting due to its distribution-free coverage guarantees.
arXiv:2505. 19033v2 Announce Type: replace-cross Abstract: Conformal prediction (CP) is a widely used frequentist framework to quantify uncertainty by constructing prediction sets with user-specified marginal coverage guarantees.
Longitudinal modelling of Alzheimer's disease progression is clinically useful only if it can describe not just the most likely next diagnosis, but how a patient may evolve over time and how reliable that forecast is. Most deep learning approaches reduce this problem to single-step classification, treating cognitively normal, mild cognitive impairment, and dementia as flat categories while providing limited insight into how uncertainty accumulates across future visits.
arXiv:2607. 22985v1 Announce Type: cross Abstract: Conformalized selection has been widely applied to select high-quality candidates from large datasets with rigorous uncertainty quantification, such as reliable labeling, drug discovery, and the alignment of large language models.
arXiv:2606. 10734v1 Announce Type: new Abstract: Conformal Prediction (CP) provides robust uncertainty guarantees for predictive models, but is typically applied post hoc, which misaligns model training with the conformal goal of producing efficient (i.