Paper uses transfer learning and Bayesian optimization to reduce DNA sequence design experiments.
problem Designing many similar DNA sequences for specific applications is expensive and time-consuming.
method Combines transfer learning with Bayesian optimization to reduce experiment count.
result Total number of experiments can be significantly reduced by sharing information between tasks.
This study connects prevalence and machine learning for diagnostic testing.
problem Uncertainty quantification in machine learning for diagnostic tests.
method Developed a numerical homotopy algorithm to estimate classification boundaries and quantify uncertainty.
result The proposed method stabilizes uncertainty quantification in machine learning for diagnostic tests.
We introduce a new approach to variable selection, called Predictive Correlation Screening, for predictor design. Predictive Correlation Screening (PCS) implements false positive control on the selected variables, is well suited to small sample sizes, and is scalable to high dimensions. We establish asymptotic bounds f…
HOoD detects near-out-of-distribution groups in correlated biomedical assays.
problem Detecting near-out-of-distribution cases in biased or incomplete data.
method Projects correlated measurements through a trained model and uses permutation-based hypothesis tests.
result HOoD reliably identifies OoD groups, outperforming other detectors.
Paper explores how unsupervised learning can be understood through linear algebra concepts.
problem Understanding unsupervised learning through linear algebra concepts.
method Introducing the concept of linearly independent populations and using them to solve for prevalence values.
result Unsupervised learning can be realized as a generalization of supervised learning.
Robust machine learning models improve DNA regulatory sequence prediction under various shifts.
problem Real-world applications of DNA regulatory sequence prediction involve shifts not captured by standard i.i.d. assumptions.
method Introduces a robustness framework combining simulation benchmarks and real data analysis.
result Models remain accurate and calibrated under mild shifts but show higher error and miscalibration under strong shifts.
A deep probabilistic model analyzes DNA-encoded library data for efficient screening.
problem Complex data from DNA-encoded library experiments mask underlying signals.
method Compositional deep probabilistic model of DEL data, modeling latent reactions between synthons.
result DEL-Compose model demonstrates strong performance and valuable insights.
There is a growing need for fast and accurate methods for testing developmental neurotoxicity across several chemical exposure sources. Current approaches, such as in vivo animal studies, and assays of animal and human primary cell cultures, suffer from challenges related to time, cost, and applicability to human physi…
Computational chemists typically assay drug candidates by virtually screening compounds against crystal structures of a protein despite the fact that some targets, like the μ Opioid Receptor and other members of the GPCR family, traverse many non-crystallographic states. We discover new conformational states of μOR…
Applying machine learning in the health care domain has shown promising results in recent years. Interpretable outputs from learning algorithms are desirable for decision making by health care personnel. In this work, we explore the possibility of utilizing causal relationships to refine diagnostic prediction. We focus…
Establishes statistical and computational bounds for influence diagnostics.
problem Identifying influential datapoints or subsets in machine learning models.
method Finite-sample statistical bounds and computational complexity for influence functions and approximate maximum influence perturbations.
result Established statistical and computational guarantees for influence diagnostics.
The article explains how to estimate confusion matrices for classifiers using unlabeled data.
problem Estimating sensitivity and specificity of binary medical diagnostic tests without gold standard tests.
method Modifying diagnostic test solutions to estimate confusion matrices for classifiers on unlabeled data.
result The approach can be used to estimate accuracy statistics for supervised or unsupervised binary classifiers on unlabeled data.
Paper semantifies bioassay text using neural networks.
problem Semantifying unstructured bioassay text descriptions.
method Neural-network-based approach to automatically semantify bioassay text.
result Neural-based semantification significantly outperforms a frequency-based baseline (72% F1 vs 47% F1).
Understanding the morphological changes of primary neuronal cells induced by chemical compounds is essential for drug discovery. Using the data from a single high-throughput imaging assay, a classification model for predicting the biological activity of candidate compounds was introduced. The image recognition model wh…
AI enhances cancer diagnostics using spectroscopy.
problem Early and accurate cancer diagnosis.
method Combining AI with spectroscopy-based techniques.
result AI improves cancer diagnostics speed and safety.
Paper introduces a diagnostic for approximate inference methods.
problem Estimating errors in probabilistic inference algorithms, especially for approximate methods.
method Repeatedly simulate datasets from the prior and perform inference on each, estimating a symmetric KL-divergence.
result A diagnostic for approximate inference methods can be estimated using symmetric KL-divergence.
Machine learning improves diagnostic test accuracy for bovine tuberculosis.
problem Improving diagnostic test sensitivity for bovine tuberculosis.
method Machine learning to assess risk landscapes and predict infection.
result Test sensitivity improved, detecting 240 more infected herds per year.
AI predicts medical specialty diagnostic choices from EHR records.
problem Predicting timely medical specialty diagnostic workups for patients.
method Ensemble of feed-forward neural networks trained on EHR data.
result Significantly higher accuracy compared to traditional checklists.
Graph-based approach repairs programs from diagnostic feedback.
problem Learning to repair programs from limited labeled data and compiler error messages.
method Introduces program-feedback graph and graph neural network for reasoning, and self-supervised learning with unlabeled programs.
result DrRepair significantly outperforms prior work, achieving high repair rates.
The paper analyzes convergence in SGD with momentum and proposes a diagnostic test.
problem Detecting convergence in stochastic gradient descent with momentum.
method Analyzes the transient and stationary phases of SGD with momentum, constructs a statistical diagnostic test.
result The proposed diagnostic test effectively detects convergence in the stationary phase of SGD with momentum.
Paper proposes a coupling-based diagnostic for SGD stepsize optimization.
problem Optimizing stepsize for SGD convergence.
method Coupling-based convergence diagnostic for monitoring stationarity.
result Proposed stepsize scheme achieves superior performance across convex and non-convex problems.
Paper improves predictive distributions for rare events using a simple framework.
problem Local miscalibration of predictive distributions for rare events.
method Semiparametric diagnostic transport maps to correct tail probabilities.
result Semiparametric maps improve predictions for severe weather hazards.
TADDAA improves accuracy diagnostics for variational approximations.
problem Challenges in evaluating the accuracy of variational approximations.
method Uses many short parallel MCMC chains to obtain lower bounds on the error of each posterior functional of interest.
result Validates the practical utility and computational efficiency of TADDAA on various models.
Proposes a diagnostic method to evaluate factor models using cap-axis integrals.
problem Improving factor model evaluation in low-dimensional spaces.
method Lifts pricing errors into a bridge-alpha curve along the market-capitalization rank axis.
result The cap-axis norm is distinct from Sharpe gain and size exposure.
Proposes a diagnostic method to evaluate factor models using cap-axis integrals.
problem Improving factor model evaluation for low-dimensional models.
method Lifts pricing errors into a bridge-alpha curve along the market-capitalization rank axis.
result The cap-axis norm is distinct from Sharpe gain and size exposure.
The receiver operating characteristic (ROC) curve is a very useful tool for analyzing the diagnostic/classification power of instruments/classification schemes as long as a binary-scale gold standard is available. When the gold standard is continuous and there is no confirmative threshold, ROC curve becomes less useful…
The high-dimensionality and volume of large scale multistream data has inhibited significant research progress in developing an integrated monitoring and diagnostics (M&D) approach. This data, also categorized as big data, is becoming common in manufacturing plants. In this paper, we propose an integrated M\&D approach…
Language models fail to process hallucinated responses, and this study diagnoses the failure.
problem Language models fail to process hallucinated responses, leading to over-concentration or diffuse attention.
method The study uses forced scoring of benchmark-labeled responses to compute attention shapes and analyze the symmetric component of the degree-normalized attention operator.
result The study proves that every transpose-invariant spectral diagnostic of the attention operator is orientation-blind and bounds the sensitivity of any Lipschitz diagnostic by the asymmetry coefficient \(G\).
Recent studies have shown promising results in using Deep Learning to detect malignancy in whole slide imaging. However, they were limited to just predicting positive or negative finding for a specific neoplasm. We attempted to use Deep Learning with a convolutional neural network algorithm to build a lymphoma diagnost…
New findings show invariance alone isn't enough to identify latent causal variables.
problem Lack of theoretical insights for identifying latent causal variables when variables are latent.
method Assessed the connection between invariance and causal representation learning using impossibility results.
result Invariance alone is insufficient to identify latent causal variables.
Interpretable deep learning is a fundamental building block towards safer AI, especially when the deployment possibilities of deep learning-based computer-aided medical diagnostic systems are so eminent. However, without a computational formulation of black-box interpretation, general interpretability research rely hea…
Online symptom checkers have significant potential to improve patient care, however their reliability and accuracy remain variable. We hypothesised that an artificial intelligence (AI) powered triage and diagnostic system would compare favourably with human doctors with respect to triage and diagnostic accuracy. We per…
Method predicts ODX scores for breast cancer patients based on clinical data.
problem Predicting ODX scores for breast cancer patients to aid decision-making.
method Distributional random forest approach using 9 clinico-pathological characteristics.
result Correctly predicted 92% of low risk and 40.2% of high risk patients.
Reducing ICD-10 code granularity improves cost model accuracy and stability.
problem High-dimensional regression with ICD-10 codes leads to unstable coefficient estimates.
method Log-linear analytics approach to cost model regularization through diagnostic code merging.
result Reducing ICD-10 code granularity from 7 characters to 6 or fewer improves model interpretability and consistency.
The paper introduces diagnostic transport maps to improve the reliability of rare event predictions.
problem Improper calibration of predictive distributions, especially for rare events.
method Diagnostic transport maps to adjust base model's probabilities for better calibration.
result Diagnostic transport maps improve predictive performance for rare events, including 24-hour rapid intensity change.
Develops a diagnostic framework for interest rate model calibration, showing equivalence to Weighted Least Squares and revealing boundary-dominated leverage and local parameter instability.
problem Calibration of stochastic interest rate models
method Diagnostic framework using non-linear regression and analytical tractability of At-The-Money caps
result Reveals boundary-dominated leverage and local parameter instability
New diagnostics detect variability in individual risk estimates from machine learning models in healthcare.
problem Variability in individual risk estimates from machine learning models in healthcare, leading to unreliable treatment decisions.
method Proposed evaluation framework using empirical prediction interval width and empirical decision flip rate diagnostics.
result Randomness in optimization and initialization can lead to substantial individual-level variability in risk estimates, affecting clinical decisions.
The paper breaks down AUC into cluster-level components for better model diagnostics.
problem Global AUC masks weaknesses in specific subpopulations, leading to financial or operational risks.
method Formal decomposition of AUC into intra- and inter-cluster components, comparing with other performance metrics.
result Allows practitioners to evaluate and diagnose model performance within and across clusters.
We consider the scenario where one observes an outcome variable and sets of features from multiple assays, all measured on the same set of samples. One approach that has been proposed for dealing with this type of data is ``sparse multiple canonical correlation analysis'' (sparse mCCA). All of the current sparse mCCA t…
Neuroscience is undergoing faster changes than ever before. Over 100 years our field qualitatively described and invasively manipulated single or few organisms to gain anatomical, physiological, and pharmacological insights. In the last 10 years neuroscience spawned quantitative big-sample datasets on microanatomy, syn…
Major advances have been made regarding the utilization of artificial intelligence in health care. In particular, deep learning approaches have been successfully applied for automated and assisted disease diagnosis and prognosis based on complex and high-dimensional data. However, despite all justified enthusiasm, over…
Proposes FACT, a diagnostic for understanding group fairness trade-offs.
problem Group fairness notions often conflict with each other, requiring a cost in model performance.
method Characterizes trade-offs via the fairness-confusion tensor and optimizes accuracy and fairness objectives.
result Demonstrates the use of FACT on synthetic and real datasets to understand accuracy-fairness trade-offs.
This paper simplifies deep ReLU networks into local linear models for better interpretability.
problem Limited transparency and interpretability of deep neural networks, especially ReLU networks.
method Local linear representation and equivalent set of local linear models (LLMs).
result Simplified deep ReLU networks for better interpretability and diagnostics.
Application of K-Means algorithm is restricted by the fact that the number of clusters should be known beforehand. Previously suggested methods to solve this problem are either ad hoc or require parametric assumptions and complicated calculations. The proposed method aims to solve this conundrum by considering cluster …
New diagnostic tool for assessing approximate Bayesian inference.
problem Assessing the trustworthiness of approximate Bayesian inference.
method Reframe the problem in terms of incompatible conditional distributions and use Gibbs priors.
result The diagnostic tool can discover the inductive bias in various Bayesian models and approximations.
Paper presents a light-weight CNN model for Parkinson's disease diagnosis.
problem Diagnosing Parkinson's disease efficiently and accurately.
method A light-weight CNN model cascading to LSTM for time-series signals.
result The model achieves high-quality results with fewer parameters and operations.
GeoTop resolves topological ambiguity in diagnostic imaging using geometric-topological analysis.
problem Topological equivalence between benign and malignant structures in diagnostic images.
method Combines Topological Data Analysis and Lipschitz-Killing Curvatures to resolve ambiguity.
result Achieves 3.6% accuracy improvement and reduces false positives/negatives by 15-18%.
It has been argued that in supervised classification tasks, in practice it may be more sensible to perform model selection with respect to some more focused model selection score, like the supervised (conditional) marginal likelihood, than with respect to the standard marginal likelihood criterion. However, for most Ba…