Active Kriging Monte Carlo simulation method with conformal certification for failure probability estimation
problem Failure probability estimation in structural reliability analysis
method Active learning framework with conformal prediction
result Improved uncertainty quantification and reliability of failure probability estimates
CPATTA uses conformal prediction for efficient test-time adaptation.
problem Low data selection efficiency in existing ATTA methods.
method Conformal Prediction, online weight-update algorithm, domain-shift detector, staged update scheme.
result CPATTA consistently outperforms state-of-the-art methods by 5% in accuracy.
Paper proves conformal prediction works for any data distribution.
problem Quantifying risk in AI systems with non-exchangeable data.
method Developed a method to extend conformal prediction to any data distribution.
result Valid conformal prediction guarantees for any data distribution.
TorsionNet uses reinforcement learning to efficiently generate conformers of flexible molecules.
problem Efficiently generating diverse and representative conformer sets for flexible molecules.
method Sequential conformer search technique based on reinforcement learning under the rigid rotor approximation, trained via curriculum learning.
result TorsionNet outperforms chemoinformatics methods by 4x on large branched alkanes and several orders of magnitude on biopolymer lignin.
ConformalHDC improves HDC's uncertainty quantification for neuromorphic learning.
problem Lack of rigorous uncertainty quantification in Hyperdimensional Computing.
method Combines conformal prediction with HDC's efficiency, proposing set-valued and point-valued formulations.
result Demonstrates improved robustness and accuracy in decoding neural stimulus information.
Paper extends conformal prediction to complex survey data.
problem Applying distribution-free prediction intervals to complex survey data.
method Design-based conformal prediction for non-exchangeable data.
result Empirical guarantees of finite-sample coverage for complex survey data.
Hexagon grid patterns emerge from conformal isometry in grid cell neural networks.
problem Understanding the algebraic, geometric, and topological properties of grid cells.
method Investigating recurrent neural network models of grid cells, focusing on Lie group and Lie algebra representations, conformal isometry, and hexagon periodic patterns.
result Conformal isometry leads to hexagon periodic patterns in grid cell responses and accurate path integration.
This paper proposes grid cells encode position via a conformal isometric embedding of 2D physical space.
problem Hexagonal grid firing patterns in grid cells.
method Learning a distance-preserving position embedding in neural space using a recurrent neural network.
result The conformal isometric embedding of 2D physical space into neural space explains hexagonal grid firing patterns.
Bayesian optimization enhanced with conformal prediction for better outcome reliability.
problem Uncertainty and model misspecification in Bayesian optimization.
method Conformal prediction to provide coverage guarantees and Bayesian optimization to select queries.
result Significant improvement in query coverage without sacrificing sample-efficiency.
New theorem proves convergence of various discrete conformal structures to conformal maps.
problem Proving convergence of discrete conformal structures to conformal maps.
method General theorem using piecewise linear discrete conformal mappings and Riemannian barycentric coordinates.
result Discrete conformal mappings converge to conformal maps under certain conditions.
A new deep learning framework selects representative samples for unsupervised learning.
problem Selecting representative samples for unsupervised learning in non-linear data.
method DUAL framework using an encoder-decoder architecture to learn nonlinear embeddings and a selection block to choose representative samples.
result DUAL outperforms state-of-the-art methods in selecting representative samples for unsupervised learning.
Framework extracts symptoms from EHRs for rapid disease outbreak detection.
problem Extracting relevant data from unstructured medical texts.
method Conformal active learning for efficient data mining.
result Framework achieves strong performance with minimal manual labeling.
C-PP-COAD detects anomalies with limited real data, reducing dependency on real calibration data.
problem Limited real calibration data for online anomaly detection.
method Context-aware prediction-powered conformal online anomaly detection (C-PP-COAD).
result Significantly reduces dependency on real calibration data without compromising FDR control.
The paper analyzes how conformal prediction works with contaminated reference data.
problem The impact of contamination on the validity and power of conformal prediction methods.
method The paper analyzes the impact of contamination on the validity of conformal methods and proposes a data-cleaning framework to enhance power.
result The proposed data-cleaning framework can effectively enhance power while maintaining type-I error control.
While the use of deep learning in drug discovery is gaining increasing attention, the lack of methods to compute reliable errors in prediction for Neural Networks prevents their application to guide decision making in domains where identifying unreliable predictions is essential, e.g. precision medicine. Here, we prese…
Paper develops an efficient method for conformal prediction in sparse linear models.
problem Computing conformal prediction sets for sparse linear models is computationally infeasible.
method Numerical continuation techniques to approximate the solution path efficiently.
result The method accurately approximates conformal prediction sets for sparse linear models.
Bayesian network models are finding success in characterizing enzyme-catalyzed reactions, slow conformational changes, predicting enzyme inhibition, and genomics. In this work, we apply them to statistical modeling of peptides by simultaneously identifying amino acid sequence motifs and using a motif-based model to cla…
A new geometric perceptron model improves 3D shape classification.
problem Challenges in geometric tasks involving point clouds using machine learning.
method Introduces multilayer geometric perceptron (MLGP) with geometric neurons.
result MLGP outperforms vanilla MLP in 3D shape classification and noise resistance.
Paper uses conformal prediction sets to make criminal justice risk assessments fairer.
problem Fairness issues in criminal justice risk assessment algorithms.
method Adopting conformal prediction sets to remove unfairness from algorithms and covariates.
result Constructs confusion tables and measures fairness effectively free of racial differences.
Improves full conformal prediction for stochastic non-conformity measures.
problem Inability of existing conditions to guarantee full conformal prediction validity under stochastic settings.
method Introduces a new sufficient condition: Conditional Independence & Permutation Invariance in Distribution.
result Corrects the insufficient condition and provides a new sufficient condition for full conformal prediction validity.
Motivation: Ab initio protein docking represents a major challenge for optimizing a noisy and costly "black box"-like function in a high-dimensional space. Despite progress in this field, there is no docking method available for rigorous uncertainty quantification (UQ) of its solution quality (e.g. interface RMSD or iR…
Active learning method balances bias and variance under class imbalance.
problem Active learning under label shift when class proportions differ.
method Mediated Active Learning under Label Shift (MALLS) using a 'medial distribution'.
result MALLS reduces asymptotic sample complexity under arbitrary label shift.
We present a three-dimensional graph convolutional network (3DGCN), which predicts molecular properties and biochemical activities, based on 3D molecular graph. In the 3DGCN, graph convolution is unified with learning operations on the vector to handle the spatial information from molecular topology. The 3DGCN model ex…
Bayesian adaptive designs can be biased by active learning, especially with misspecified models.
problem Active learning bias in Bayesian adaptive experimental designs.
method Analysis of linear and preference learning models, empirical testing.
result Model misspecification and noise influence active learning bias in Bayesian designs.
We propose Cormorant, a rotationally covariant neural network architecture for learning the behavior and properties of complex many-body physical systems. We apply these networks to molecular systems with two goals: learning atomic potential energy surfaces for use in Molecular Dynamics simulations, and learning ground…
Study active learning of PTFs with derivative access.
problem Active learning of polynomial threshold functions (PTFs).
method Algorithm for active learning degree-d univariate PTFs with derivative access. result Computational efficient algorithm for active learning degree-d univariate PTFs. New method learns neural network activation functions from data.
problem Learning activation functions for neural networks.
method Model each neuron's activation function as a small neural network.
result Learned activation functions improve network performance.
This paper analyzes and improves active learning techniques for real-world projects.
problem Reducing labelling effort in machine learning models with real-world constraints.
method Systematic study of active learning issues, proposing techniques to address model convergence, annotation error, and dataset imbalance.
result Presentation of two techniques to speed up active learning: partial uncertainty sampling and larger query size.
Bayesian active learning method improved for censored regression data.
problem Challenges in estimating BALD for censored regression data.
method Derived entropy and mutual information for censored distributions, developed C-BALD objective, proposed novel modelling approach. result Demonstrated C-BALD outperforms other methods in censored regression. Active learning is an important technique to reduce the number of labeled examples in supervised learning. Active learning for binary classification has been well addressed in machine learning. However, active learning of the reject option classifier remains unaddressed. In this paper, we propose novel algorithms for a…
Combining Bayesian deep learning and split conformal prediction affects out-of-distribution coverage.
problem Improving out-of-distribution coverage in multiclass image classification.
method Combining Bayesian deep learning with split conformal prediction methods.
result Combining methods can reduce out-of-distribution coverage in some cases.
We consider active learning of deep neural networks. Most active learning works in this context have focused on studying effective querying mechanisms and assumed that an appropriate network architecture is a priori known for the problem at hand. We challenge this assumption and propose a novel active strategy whereby …
Active learning selects inputs for GPSSM to learn latent states.
problem Optimally learn latent states of a GPSSM through active selection of inputs.
method Use mutual information to select informative inputs; approximate mutual information for GPSSM.
result Effective active learning of GPSSM dynamics in physical systems.
Study proposes a stopping criterion for active learning based on error stability.
problem Improving predictive performance in active learning by adaptively annotating samples.
method Proposes a stopping criterion based on error stability for Bayesian active learning.
result Demonstrates the proposed criterion stops active learning at the appropriate timing for various models and datasets.
DUNs improve active learning by dynamically adjusting model complexity.
problem Active learning datasets grow, leading to model bias or overfitting.
method Depth Uncertainty Networks (DUNs) infer model depth for flexibility and complexity.
result DUNs outperform other BNN variants on active learning tasks, reducing overfitting.
Collaborative filtering is a useful technique for exploiting the preference patterns of a group of users to predict the utility of items for the active user. In general, the performance of collaborative filtering depends on the number of rated examples given by the active user. The more the number of rated examples giv…
DAL uses disentanglement for automatic labeling in GAN-based active learning.
problem Reducing human labeling in GAN-based active learning.
method DAL leverages disentanglement in InfoGAN to automatically label datapoints, deciding human labeling based on disagreement with InfoGAN labels and label correction.
result DAL achieves better performance than existing GAN-based active learning approaches on image classification tasks.
New benchmark predicts cardiometabolic risk from accelerometer data, with varying accuracy.
problem Lack of accurate tabular benchmarks for cardiometabolic risk from accelerometer data.
method Tabular learning methods (ridge regression, XGBoost, TabPFN v2) applied to NHANES data.
result TabPFN v2 achieves best performance, but triglycerides remain largely unpredictable.
Paper provides label complexity guarantees for deep active learning.
problem Lack of rigorous label complexity guarantees for deep active learning.
method Studied deep active learning from nonparametric classification perspective.
result Proved near-optimal label complexity guarantees for deep active learning.
Active learning method improves AI performance by balancing exploration and exploitation.
problem Efficiently acquiring samples for supervised learning in streaming data.
method Ensemble active learning by contextual bandits.
result Improved AI modeling performance through better sample acquisition.
Unified study of active learning for deep neural networks.
problem Improving performance of deep neural networks through active learning.
method Investigation of incremental and cumulative training modes, model configurations, query strategies, and pseudo-labels.
result Proposed more efficient querying procedures and insights into active learning behavior.
Even though active learning forms an important pillar of machine learning, deep learning tools are not prevalent within it. Deep learning poses several difficulties when used in an active learning setting. First, active learning (AL) methods generally rely on being able to learn and update models from small amounts of …
Deep learning architectures have proved versatile in a number of drug discovery applications, including the modelling of in vitro compound activity. While controlling for prediction confidence is essential to increase the trust, interpretability and usefulness of virtual screening models in drug discovery, techniques t…
Adaptive Quantum Conformal Prediction improves reliability of quantum machine learning predictions.
problem Quantum machine learning lacks robust uncertainty quantification methods.
method Adaptive Conformal Inference applied to quantum conformal prediction to maintain validity over time.
result AQCP achieves target coverage levels and is more stable than standard quantum conformal prediction.
Active learning from demonstration allows a robot to query a human for specific types of input to achieve efficient learning. Existing work has explored a variety of active query strategies; however, to our knowledge, none of these strategies directly minimize the performance risk of the policy the robot is learning. U…
Proposes a graph-based method for active learning in regression.
problem Active learning for regression is understudied and faces challenges with noisy labels and parameter uncertainty.
method Formulates active regression as a bipartite graph optimization problem.
result Demonstrates the effectiveness of the proposed graph-based approach on benchmark data sets.
New active learning strategy improves decision-making accuracy.
problem Maximizing decision-making accuracy in sequential data acquisition.
method Introduces a novel active learning criterion that maximizes expected information gain on the posterior decision distribution.
result Improved performance in decision-making accuracy compared to existing alternatives.
TransFall uses transfer learning to improve activity recognition from mobile sensors.
problem Performance degradation due to platform and user movement differences.
method Two-tier data transformation, label estimation, and model generation layers.
result TransFall enhances activity recognition accuracy for new scenarios.