Background: Pharmacokinetic evaluation is one of the key processes in drug discovery and development. However, current absorption, distribution, metabolism, excretion prediction models still have limited accuracy. Aim: This study aims to construct an integrated transfer learning and multitask learning approach for deve…
On-device research index
arXiv research
A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
168,657 papers · 148 categories
Trend · papers per month
23 results for “pharmacokinetics”
Generative model learns functional vector fields for pharmacokinetics.
problem Generating accurate virtual cohorts and forecasting patient trajectories without manual tuning.
method Prior-Fitted Functional Flows model, learning functional vector fields conditioned on sparse, irregular data.
result State-of-the-art predictive accuracy on real-world datasets.
NPOD algorithm improves efficiency in estimating pharmacokinetic parameters.
problem Efficiently estimating joint distribution of model parameters in population pharmacokinetics.
method Uses gradient approach to suggest new support points, reducing evaluation time.
result Achieves similar solutions to NPAG but with significantly fewer cycles and runtime.
Drug-drug interaction (DDI) is a major cause of morbidity and mortality and a subject of intense scientific interest. Biomedical literature mining can aid DDI research by extracting evidence for large numbers of potential interactions from published literature and clinical databases. Though DDI is investigated in domai…
Novel deep learning model improves AUC prediction for tacrolimus dosing.
problem Model misspecification in current pharmacokinetic models.
method Latent Neural-ODE for learning individualized pharmacokinetic dynamics.
result Latent ODE model outperforms standard methods in AUC prediction accuracy.
Background. Drug-drug interaction (DDI) is a major cause of morbidity and mortality. [...] Biomedical literature mining can aid DDI research by extracting relevant DDI signals from either the published literature or large clinical databases. However, though drug interaction is an ideal area for translational research, …
Clarifies the confidence interval approach for bioequivalence testing.
problem Ensuring the reliability of bioequivalence testing methods.
method Clarifies the conditions under which a 100(1-2α)% confidence interval yields a size-α test.
result A 100(1-2α)% confidence interval approach for bioequivalence testing yields a size-α test only when the two one-sided tests are 'equal-tailed'.
New method uses machine learning to estimate drug parameters in brain models.
problem Estimating unknown parameters in complex brain drug models.
method Physics-Informed Neural Networks (PINNs) for inverse problem solving.
result Accurate parameter estimation leads to precise drug concentration profiles.
New methods tackle statistical inverse problems with random data.
problem Statistical inverse problems with random experimental design.
method Spectral regularization, regularization by projection, convex penalties.
result Minimax rates in expectation and probability for convergence.
Intratumor heterogeneity is often manifested by vascular compartments with distinct pharmacokinetics that cannot be resolved directly by in vivo dynamic imaging. We developed tissue-specific compartment modeling (TSCM), an unsupervised computational method of deconvolving dynamic imaging series from heterogeneous tumor…
Deep RL controls anesthesia more accurately than traditional methods.
problem Controlling the level of unconsciousness during anesthesia.
method Deep Reinforcement Learning (DRL) to map patient state to propofol dosage.
result Deep RL model outperformed traditional controllers (1.7% vs 3.4% median absolute performance error).
Physics-Informed Neural Networks (PINNs) benchmarked against clinical estimator and reveal parameter identifiability
problem Chemotherapy pharmacokinetics (PK) with tissue concentration not measured
method Physics-Informed Neural Networks (PINNs) benchmarked against clinical estimator and reveal parameter identifiability
result PINN recovers tissue concentration and identifies non-identifiable parameters
Adapts MBDOE for real-time parameter estimation in complex systems.
problem Costly posterior inference and design optimization in nonlinear systems.
method Combines DAD with differentiable mechanistic models for real-time parameter estimation.
result Demonstrated on four systems, including a DC motor.
Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learningphysics.chem-ph
A new RL framework optimizes drug-like molecules synthetically.
problem Optimizing drug-like molecules for specific criteria.
method Deep Reinforcement Learning framework for chemical space optimization.
result Outperforms existing methods in pharmacological optimization.
Two simulation-based methods improve optimal sampling design in systems biology.
problem Optimal selection of sampling points for accurate parameter estimation in dynamical systems.
method E-optimal-ranking (EOR) and LSTM neural network-based methods.
result Simulation studies show the proposed methods outperform random selection and classical E-optimal design.
Two-Timescale EM Methods improve EM for nonconvex models.
problem Nonconvex latent variable models are challenging for EM.
method Two-stage stochastic updates to handle nonconvex optimization.
result Global convergence for nonconvex objective functions.
Paper proposes an unbiased optimization method for Bayesian experimental design.
problem Maximizing expected information gain in Bayesian experimental design.
method Randomized multilevel Monte Carlo (MLMC) method combined with stochastic gradient descent.
result An unbiased estimator for the gradient of expected information gain.
Goal-driven Bayesian Optimal Experimental Design for Robust Decision-Making Under Model Uncertaintycs.LG
GoBOED optimizes experiments for specific decision-making objectives, improving downstream outcomes.
problem Reducing parameter uncertainty does not always improve decision-making in critical settings.
method Combines variational posterior surrogate and differentiable convex decision layer for gradient-based design optimization.
result GoBOED identifies designs that better align with specific decision objectives and reveals wider optimal design windows.
Many scientific and engineering challenges -- ranging from pharmacokinetic drug dosage allocation and personalized medicine to marketing mix (4Ps) recommendations -- require an understanding of the unobserved heterogeneity in order to develop the best decision making-processes. In this paper, we develop a hypothesis te…
CDM models counterfactual outcomes in longitudinal data with improved accuracy.
problem Predicting counterfactual outcomes in longitudinal data with complex time-dependent confounding.
method Causal Diffusion Model (CDM) using denoising diffusion architecture with relational self-attention.
result CDM outperforms state-of-the-art methods in generating full probabilistic distributions of counterfactual outcomes.
A scalable Bayesian inference method for mixed-effects models in systems biology.
problem Scalable Bayesian inference for complex hierarchical mixed-effects models in systems biology.
method Constructing amortized approximations of likelihood and posterior distributions, refined for each individual dataset.
result Our method is both fast and competitive in statistical accuracy compared to exact pseudomarginal Bayesian inference.
Applications of Machine Learning in Pharmacogenomics: Clustering Plasma Concentration-Time Curvesstat.AP
The paper clusters PK curves using ML, finding it useful for identifying similar patterns.
problem Improving drug development and patient outcomes through ML in pharmacogenomics.
method Unsupervised clustering of PK curves using various dissimilarity measures.
result Euclidean distance is most suitable for clustering PK curves, and clustering can validate pharmacogenomic results.
Predicting response to neoadjuvant therapy is a vexing challenge in breast cancer. In this study, we evaluate the ability of deep learning to predict response to HER2-targeted neo-adjuvant chemotherapy (NAC) from pre-treatment dynamic contrast-enhanced (DCE) MRI acquired prior to treatment. In a retrospective study enc…