Novel algorithms improve warfarin dose prediction accuracy.
problem Challenges in estimating warfarin dose due to narrow therapeutic index and individual variability.
method Stacked generalization frameworks combining different machine learning algorithms.
result Stacked algorithms outperform the IWPC MLR algorithm, especially in subgroups.
Paper proposes a framework to predict therapeutic properties of compounds.
problem Predict therapeutic properties of compounds with heterogeneous data.
method Domain-adversarial multi-task framework using adversarial learning.
result Framework improves performance over competitive baselines.
Clusters of ACS patients identified for better therapeutic stratification.
problem Data-driven classification and subtyping of ACS patients for improved treatment.
method Outcome-driven clustering using a multi-task neural network with attention.
result Seven patient clusters with distinct characteristics and risk profiles identified.
We introduce a tensor-based clustering method to extract sparse, low-dimensional structure from high-dimensional, multi-indexed datasets. This framework is designed to enable detection of clusters of data in the presence of structural requirements which we encode as algebraic constraints in a linear program. Our cluste…
Study repurposes open data to find potential COVID-19 drugs.
problem Developing effective treatments for COVID-19.
method Deep learning network-based approach using large scientific corpus.
result Identified 41 repurposable drugs for COVID-19.
Study shows peers' graduation improves residents' success in TCs.
problem Identifying peer influence in therapeutic communities adjusting for latent homophily.
method Used data on affirmations and exit dates to form peer networks, modeled latent homophily, and proposed bias correction methods.
result Positive effect of peers' graduation on residents' graduation, varying by gender, race, and role model definition.
Improved RL model for fragment-based molecule generation.
problem Generating molecules with high docking scores.
method Thorough reproduction, scrutiny, and improvement of the FREED model.
result The improved model produces molecules with superior docking scores.
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…
Machine learning identifies potential drugs for COVID-19.
problem Finding effective treatments for COVID-19.
method Trained neural network models on virus protein sequences and antiviral drugs.
result Identified potential drug candidates for treating COVID-19.
PropEn uses matching to create a larger dataset for efficient design optimization.
problem Limited data and complex landscapes in scientific applications.
method PropEn uses a matching approach to implicitly guide design without a discriminator.
result PropEn efficiently approximates the gradient of property improvement within the data distribution.
New models suggest molecules that are often unfeasible to synthesize.
problem Models suggest molecules that are difficult to synthesize.
method Used a computer-aided synthesis planning program to analyze synthesizability of molecules generated by state-of-the-art models.
result State-of-the-art models generate molecules that are often unfeasible to synthesize.
A model predicts which patients can safely use a warfarin dosing algorithm.
problem Determining the optimal initial dose for warfarin patients.
method Support Vector Machines with a polynomial kernel function.
result The model increases dosing accuracy by 15% in RMSE and 17% in MAE.
Microbes are everywhere, including in and on our bodies, and have been shown to play key roles in a variety of prevalent human diseases. Consequently, there has been intense interest in the design of bacteriotherapies or "bugs as drugs," which are communities of bacteria administered to patients for specific therapeuti…
Generative ODE model learns unknown variables in medical systems.
problem Estimating unknown variables in complex medical systems.
method Variational autoencoder incorporating known ODE functions.
result Modeling known-unknowns improves system parameter discovery and extrapolation.
Optimal algorithm selects biological models without prior info.
problem Determining the correct biological model without prior knowledge.
method Systems biology models and likelihood-free inference.
result Improved model selection performance over conventional methods.
UMAP visualizes patient phenotypes from EHR data for emergency triage.
problem Interpreting high-dimensional EHR data for rapid patient triage.
method UMAP for non-linear dimensionality reduction, Gaussian mixture models for clustering.
result UMAP reveals clinically relevant patient phenotypes from EHR data.
RL algorithms with medical integration improve personalized treatment recommendations.
problem Developing effective personalized treatment strategies for chronic diseases.
method Integrating medical knowledge into RL algorithms for DTR.
result Enhanced treatment recommendations with increased confidence.
CGD improves diffusion models' out-of-distribution generalization.
problem Reliable sampling from high-value regions beyond training data.
method Context-guided diffusion (CGD) using unlabeled data and smoothness constraints.
result Substantial performance gains across various diffusion processes.
A broad spectrum of data from different modalities are generated in the healthcare domain every day, including scalar data (e.g., clinical measures collected at hospitals), tensor data (e.g., neuroimages analyzed by research institutes), graph data (e.g., brain connectivity networks), and sequence data (e.g., digital f…
PerturBench benchmarks ML models for cellular perturbation analysis.
problem Standardizing benchmarking in modeling single cell transcriptomic responses to perturbations.
method Modular platform, diverse datasets, metrics, extensive evaluation, rank metrics.
result Simpler models are competitive and scale well with larger datasets.
NucleusDiff models atomic nuclei interactions to prevent separation violations in drug design.
problem Maintaining minimum pairwise distance between atoms to avoid separation violations in drug design.
method Enforces distance constraint between atomic nuclei and manifolds in a diffusion model.
result Reduces separation violations by up to 100.00% and enhances binding affinity by up to 22.16%.
Improved GCNNs tackle noisy knowledge graphs for better link prediction.
problem Link prediction on noisy biomedical knowledge graphs.
method Regularized attention mechanism for GCNNs, interpretable visualization methods.
result Improved performance on noisy datasets, automated denoising potential.
Model predicts VKA dosage for Indian patients, aiding in safe medication.
problem Safe and accurate dosing of VKA drugs for Indian patients.
method Support Vector Machine (SVM) Regression model trained on patient data.
result Predicted dosages closely match actual dosages.
A new clustering evaluation index based on density estimation.
problem Improving internal clustering evaluation indices.
method The index is a mixture of Ambiguous and Similarity sub-indices, calculated using density estimation.
result The new index significantly outperforms other internal clustering evaluation indices.
Two ML frameworks predict antibody properties using structural data.
problem Predicting antibody properties using sequence and structural data.
method ANTIPASTI and INFUSSE models using graph representations and neural networks.
result ANTIPASTI predicts binding affinity; INFUSSE predicts residue flexibility.
Novel framework predicts cell responses to perturbations using GRNs.
problem Predicting cellular responses to perturbations for drug discovery and personalized therapeutics.
method Graph variational Bayesian causal inference framework with refined GRNs and robust estimator.
result Enhanced model performance and robust estimation of perturbation effects.
AI enhances microbiology and microbiome research through machine learning.
problem Understanding microbial life and its impact on health and the environment.
method AI-driven approaches including machine learning and deep learning.
result Transformative role in enhancing microbial life understanding.
DeepNovoV2 improves de novo peptide sequencing from mass spectrometry data.
problem De novo peptide sequencing from mass spectrometry data for personalized cancer vaccines.
method DeepNovoV2 combines T-Net and recurrent neural networks for end-to-end training and prediction.
result DeepNovoV2 achieves 13.01-23.95\% higher accuracy than previous methods.
Study on symmetric operators on non-compact manifolds, focusing on their index modulo 2.
problem Investigating elliptic operators with a specific symmetry and their index modulo 2.
method Analysis of Callias-type operators on non-compact manifolds, establishing mod 2 versions of index theorems.
result Established mod 2 versions of the Gromov-Lawson relative index theorem, Callias index theorem, and Boutet de Monvel's index theorem for Toeplitz operators.
New index formula connects numerical and K-theoretic indices.
problem Equivariant index for proper group actions on manifolds.
method Developed a trace on group conjugacy classes to relate numerical and K-theoretic indices. result Shows that numerical index equals K-theoretic index under certain conditions. Clinical prognostic models derived from largescale healthcare data can inform critical diagnostic and therapeutic decisions. To enable off-theshelf usage of machine learning (ML) in prognostic research, we developed AUTOPROGNOSIS: a system for automating the design of predictive modeling pipelines tailored for clinical…
The paper explores global index formulas for one-dimensional holomorphic foliations.
problem Global index formulas for one-dimensional holomorphic foliations.
method Microlocal point of view and short proofs for existing index formulas.
result Generalizations of existing index formulas.
New methods use RL and DA to improve dosing precision and reduce side effects.
problem Improving precision and safety of anticancer drug dosing.
method Bayesian data assimilation and reinforcement learning.
result Significantly reduces incidence of severe side effects.
Network analysis of human brain connectivity is critically important for understanding brain function and disease states. Embedding a brain network as a whole graph instance into a meaningful low-dimensional representation can be used to investigate disease mechanisms and inform therapeutic interventions. Moreover, by …
Explain Arnold's proof of the Morse index theorem using Maslov index.
problem Proving the Morse index theorem in Riemannian geometry.
method Using symplectic arguments and the Maslov index.
result Self-contained exposition of Arnold's proof.
The p-index improves investment performance for NYSE stocks but not for SSE stocks.
problem Improving investment performance for stocks using the p-index.
method Comparing different p-ratio strategies and empirical efficient frontiers for SSE and NYSE stocks.
result The p-index enhances investment performance for NYSE stocks but not for SSE stocks.
Paper introduces danceability index as a new bridge index definition.
problem Defining the bridge index in various mathematical contexts.
method Proves danceability index as equivalent to bridge index, extends to virtual knots.
result Danceability index is a new equivalent definition of the bridge index.
Study Whittle index learning algorithms for restless bandits with constant stepsizes.
problem Optimizing decisions in restless multi-armed bandits with constant stepsizes.
method Developed Q-learning algorithms with constant stepsizes for index learning in restless bandits, extending to DQN and function approximations.
result The algorithms learn the Whittle index effectively.
Paper uses AI to predict medications from medical codes, improving accuracy in healthcare.
problem Predicting medications from incomplete or incorrect medical codes is challenging.
method Robust Recurrent Neural Networks (RNNs) with decay mechanism and noise injection.
result The method accurately predicts medication orders from contaminated medical codes.
The task of drug-target interaction prediction holds significant importance in pharmacology and therapeutic drug design. In this paper, we present FRnet-DTI, an auto encoder and a convolutional classifier for feature manipulation and drug target interaction prediction. Two convolutional neural neworks are proposed wher…
A new index rebalancing strategy reduces large constituent weights without undesirable effects.
problem Undesirable effects of current Nasdaq-100 index rebalancing.
method A simple rebalancing strategy that avoids undesirable effects.
result Preserves the order of index weights and prevents maximum weight increase.
We study bounded pseudoconvex domains in complex Euclidean space. We define an index associated to the boundary and show this new index is equivalent to the Diederich-Fornæss index defined in 1977. This connects the Diederich-Fornæss index to boundary conditions and refines the Levi pseudoconvexity. We also prove the $…
Study on symmetric braid index of ribbon knots, deriving bounds and characterizations.
problem Understanding the symmetric braid index of ribbon knots.
method Defining symmetric braid index, using Khovanov homology, and calculating bounds.
result Existence of knots with symmetric braid index greater than braid index.
Study proves bridge and braid indices match for twist positive knots.
problem Determining when bridge and braid indices are equal for knots.
method Used knot Floer torsion order to prove for all twist positive knots.
result Bridge and braid indices coincide for all twist positive knots.
Minimal grid diagrams for 15,735 knots with 14 crossings and arc index 14.
problem Representing prime knots with 14 crossings and specific arc indices using grid diagrams.
method Enumerated all prime knots with 14 crossings, categorized by arc index, and found minimal grid diagrams for those with arc index 14.
result 8,027 knots with arc index 13 and 15,735 knots with arc index 14 were represented by minimal grid diagrams.
BoGA combines evolutionary search with Bayesian optimization for efficient protein design.
problem Designing novel proteins with specific characteristics is challenging due to sequence space complexity.
method BoGA integrates a genetic algorithm with Bayesian optimization to efficiently explore sequence space.
result BoGA accelerates discovery of high-confidence binders for diverse protein design objectives.
Given a proper, cocompact action of a Lie groupoid, we define a higher index pairing between invariant elliptic differential operators and smooth groupoid cohomology classes. We prove a cohomological index formula for this pairing by applying the van Est map and algebraic index theory. Finally we discuss in examples th…
Proves the index of a Möbius band in 4D ball equals 5.
problem Determining the Morse index of critical non-orientable surfaces.
method Comparison theorem between Steklov spectral index and energy index.
result Proves the index of critical Möbius band in B4 equals 5.