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Current methods to optimize vaccine dose are purely empirically based, whereas in the drug development field, dosing determinations use far more advanced quantitative methodology to accelerate decision-making. Applying these established…
Spatial transcriptomics (ST) enables the visualization of gene expression within the context of tissue morphology. This emerging discipline has the potential to serve as a foundation for developing tools to design precision medicines.…
Failures in Phase 3 clinical trials contribute to expensive cost of drug development in oncology. To drastically reduce such cost, responders to an oncology treatment need to be identified early on in the drug development process with…
Breakthroughs in cancer biology have defined new research programs emphasizing the development of therapies that target specific pathways in tumor cells. Innovations in clinical trial design have followed with master protocols defined by…
Most of the textual information available to us are temporally variable. In a world where information is dynamic, time-stamping them is a very important task. Documents are a good source of information and are used for many tasks like,…
The design of data-driven formulations for machine learning and decision-making with good out-of-sample performance is a key challenge. The observation that good in-sample performance does not guarantee good out-of-sample performance is…
Most of the previous works on data flow optimizations for Machine Learning hardware accelerators try to find algorithmic re-factorization such as loop-reordering and loop-tiling. However, the analysis and information they provide are still…
Adaptive enrichment allows for pre-defined patient subgroups of interest to be investigated throughout the course of a clinical trial. Many trials which measure a long-term time-to-event endpoint often also routinely collect repeated…
We consider the challenge of black-box optimization within hybrid discrete-continuous and variable-length spaces, a problem that arises in various applications, such as decision tree learning and symbolic regression. We propose DisCo-DSO…
This paper proposes a novel criterion for the allocation of patients in Phase~I dose-escalation clinical trials aiming to find the maximum tolerated dose (MTD). Conventionally, using a model-based approach the next patient is allocated to…
While existing hierarchical text classification (HTC) methods attempt to capture label hierarchies for model training, they either make local decisions regarding each label or completely ignore the hierarchy information during inference. To…
Diffusion language models enable any-order generation and bidirectional conditioning, offering appealing flexibility for tasks such as infilling, rewriting, and self-correction. However, their formulation-predicting one part of a sequence…
Accurate prediction of energy and forces for 3D molecular systems is one of fundamental challenges at the core of AI for Science applications. Many powerful and data-efficient neural networks predict molecular energies and forces from…
Dose-finding trials for oncology studies are traditionally designed to assess safety in the early stages of drug development. With the rise of molecularly targeted therapies and immuno-oncology compounds, biomarker-driven approaches have…
Medical image analysis faces significant challenges in data sharing due to privacy regulations and complex institutional protocols. Dataset distillation offers a solution to address these challenges by synthesizing compact datasets that…
Nonlinear regression models addressing both efficacy and toxicity outcomes are increasingly used in dose-finding trials, such as in pharmaceutical drug development. However, research on related experimental design problems for corresponding…
We present a comprehensive analysis of deep learning approaches for Electronic Health Record (EHR) time-series imputation, examining how architectural and framework biases combine to influence model performance. Our investigation reveals…
Deep learning methods have permeated into the research area of computer-aided drug design. The deep learning generative model and classical algorithm can be simultaneously used for three-dimensional (3D) drug design in the 3D pocket of the…
Subclassification and matching are often used in empirical studies to adjust for observed covariates; however, they are largely restricted to relatively simple study designs with a binary treatment and less developed for designs with a…
The integration of artificial intelligence (AI) in early-stage drug discovery offers unprecedented opportunities for exploring chemical space and accelerating hit-to-lead optimization. However, docking optimization in generative approaches…