AHS framework selects hyperparameters for FQE with error guarantees.
problem Hyperparameter selection for FQE is challenging and affects its utility.
method AHS framework defines optimality criteria without hyperparameters.
result Error bounds match empirical observations.
New findings show a balance between data fit and complexity in kernel hyperparameters.
problem Overcorrelation due to reparametrization of kernel hyperparameters.
method Reparametrization of kernel hyperparameters and analysis of marginal likelihood.
result Data fit term influences all other kernel hyperparameters, not just the complexity penalty.
Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters …
This paper quantifies hyperparameter transfer and finds embedding layer learning rate is key.
problem Quantifying optimal hyperparameters for large language models across scales.
method Developed three metrics to quantify hyperparameter transfer and investigated the importance of embedding layer learning rate.
result Maximal Update (μP) parameterization offers high-quality learning rate transfer compared to standard parameterization (SP).
New tools evaluate and optimize conditional sequence models in bioinformatics.
problem Evaluating and optimizing conditional sequence models in bioinformatics.
method Kernel-based discrepancy measure (ACMMD) to estimate model fit and tune hyperparameters.
result Rejects the hypothesis that ProteinMPNN fits its data for various protein families and optimizes model temperature.
Paper defines hyperparameter importance for efficient tuning.
problem Computational inefficiency in tuning all hyperparameters.
method Defines hyperparameter importance via subsampling procedures.
result Proposed importance consistent with full data under weak conditions.
A new method reduces hyperparameter tuning evaluations by using sequential tests.
problem Time-consuming hyperparameter tuning in machine learning.
method Sequential Random Search (SQRS) extending regular random search.
result SQRS finds similarly well-performing parameter settings with fewer evaluations.
HASSO improves SO algorithms by dynamically tuning hyperparameters.
problem Inefficiency of hyperparameter tuning for SO algorithms.
method HASSO is a self-adjusting SO algorithm that dynamically tunes its own hyperparameters.
result HASSO enhances the performance of various SO algorithms across different test problems.
HyperSHAP explains HPO hyperparameters and interactions, improving trust and adoption.
problem Tackling opaque HPO methods and lack of user trust.
method Game-theoretic explainability framework based on Shapley values and interactions.
result Provides insights into hyperparameter contributions and interactions.
A new method combines Gaussian Processes to optimize under uncertainty.
problem Bayesian Optimization's weakness in fitting Gaussian Processes.
method Wasserstein Barycenter Gaussian Process (WBGP) approach.
result WBGP-BO converges to the optimum, improving on vanilla BO.
Conditional kernel mean embeddings are nonparametric models that encode conditional expectations in a reproducing kernel Hilbert space. While they provide a flexible and powerful framework for probabilistic inference, their performance is highly dependent on the choice of kernel and regularization hyperparameters. Neve…
Proposes a new stability measure for model fitting on similar feature data sets.
problem Model fitting on data sets with similar features is challenging.
method Tuning hyperparameters in a multi-criteria fashion with predictive accuracy and feature selection stability.
result Our approach achieves similar or better predictive performance than single-criteria and stability selection approaches.
Aims to describe neural network training dynamics using two-time-scale models.
problem Lack of a general mathematical description of neural network training.
method Introduces a theoretical framework based on two-time-scale population dynamics.
result Derives selection-mutation equations and effective fitness for hyperparameters.
We introduce an exploratory study on Mutation Validation (MV), a model validation method using mutated training labels for supervised learning. MV mutates training data labels, retrains the model against the mutated data, then uses the metamorphic relation that captures the consequent training performance changes to as…
Adversarial training shows promise as an approach for training models that are robust towards adversarial perturbation. In this paper, we explore some of the practical challenges of adversarial training. We present a sensitivity analysis that illustrates that the effectiveness of adversarial training hinges on the sett…
New method optimizes hyperparameters for randomized algorithms like random feature regression.
problem Optimizing hyperparameters in randomized algorithms is challenging due to their stochastic nature.
method Introduced a random objective function and used ensemble Kalman inversion (EKI) for gradient-free optimization.
result Demonstrated successful optimization of hyperparameters in various randomized algorithms.
A new method reduces the time needed for Bayesian optimization by a factor of 10-100.
problem Efficiently scaling Bayesian optimization to many observations.
method Epistemic Nearest Neighbors (ENN) for hyperparameter fitting and UCB acquisition.
result TuRBO-ENN reduces proposal time by one to two orders of magnitude compared to TuRBO.
KOLMOGOROV-OPTIMAL RESOLUTION ESTIMATION (KORE) solves spline regression without exhaustive search
problem Hyperparameter tuning in spline regression
method Solving for optimal resolution analytically
result KORE matches exhaustive cross-validation and outperforms tuned models
Algorithm selection and hyperparameter tuning remain two of the most challenging tasks in machine learning. Automated machine learning (AutoML) seeks to automate these tasks to enable widespread use of machine learning by non-experts. This paper introduces OBOE, a collaborative filtering method for time-constrained mod…
Optimizing a neural network's performance is a tedious and time taking process, this iterative process does not have any defined solution which can work for all the problems. Optimization can be roughly categorized into - Architecture and Hyperparameter optimization. Many algorithms have been devised to address this pr…
The paper proposes a gradient-based method for multi-penalty Ridge regression.
problem Optimizing multiple regularization hyperparameters for linear regression.
method Gradient-based optimization through matrix differential calculus.
result The method outperforms traditional regularization techniques like LASSO and Ridge.
Bayesian optimisation improves with fully-Bayesian treatment of hyperparameters.
problem Overconfident model predictions in BO due to ignoring hyperparameter uncertainty.
method Investigate FBBO using three approximate inference schemes compared to maximum likelihood approach.
result FBBO using EI with an ARD kernel leads to best performance in noise-free setting.
R package for multi-objective model selection in statistics.
problem Model selection challenges in statistics, especially for penalized models.
method Multi-objective optimization using Gaussian process-based optimization.
result Identification of hyperparameter values that represent desirable trade-offs.
Deep heteroskedastic models overfit, showing a phase transition with regularization strength.
problem Overfitting in deep heteroskedastic regression models.
method Theoretical framework based on statistical field theory, empirical verification, and hyperparameter simplification.
result A phase transition in model behavior with varying regularization strength.
FIRE PBT improves neural network training by focusing on long-term performance.
problem Greedy decision mechanisms in PBT lead to poor long-term performance.
method FIRE PBT uses a fitness metric to encourage long-term performance over short-term improvements.
result FIRE PBT outperforms PBT on ImageNet and matches hand-tuned learning rates.
Prevalidated ridge regression simplifies logistic regression for high-dimensional data.
problem Efficient probabilistic classification in high-dimensional data with logistic regression.
method Developed a prevalidated ridge regression model that matches logistic regression's performance but is more computationally efficient.
result Prevalidated ridge regression achieves similar classification error and log-loss to logistic regression for high-dimensional data.
Improved Kalman filtering with hierarchical variational approach.
problem Inconsistent process covariance estimation and slow convergence speed in traditional variational Kalman filtering.
method Introducing a surrogate variable for process-noise-free state, reformulating CAVI, and sliding-window hyperparameter estimation.
result Enhanced convergence speed and superior estimation accuracy compared to existing methods.
We speed up Gaussian process cross-validation calculations and improve model diagnostics.
problem Efficiently calculating cross-validation residuals and their covariances in Gaussian processes.
method Generalized fast Gaussian process leave-one-out formulae to multiple-fold cross-validation, highlighting covariance structures.
result Correcting for residual covariances in cross-validation improves back to Maximum Likelihood Estimation.
Boosting combines weak (biased) learners to obtain effective learning algorithms for classification and prediction. In this paper, we show a connection between boosting and kernel-based methods, highlighting both theoretical and practical applications. In the context of ℓ2 boosting, we start with a weak linear le…
MR estimator simplifies causal inference by combining models without hyperparameter tuning.
problem Difficulty in choosing optimal hyperparameters for neural network models in causal inference.
method Multiply Robust (MR) estimator that combines multiple first-step models.
result MR estimator is nr consistent and asymptotically normal under certain conditions. HAR model outperforms ML in stock forecasting with correct fitting schemes.
problem Realized volatility forecasting using machine learning techniques.
method Investigated the role of fitting schemes in HAR model performance, focusing on training window and re-estimation frequency.
result HAR model consistently outperforms ML models when using a correctly specified fitting approach.
New score helps choose PIML model parameters, reducing ambiguity in model quality.
problem Ambiguity in measuring model quality in PIML due to multi-objective fitting.
method Introduces Physics-Informed Log Evidence (PILE) score in Gaussian process framework.
result PILE minimizes ambiguity in model selection, improving hyperparameter choices.
New GMM models fit high-dimensional data with fewer parameters.
problem Overparameterization and lack of flexibility in GMMs for high-dimensional data.
method Piecewise-constant covariance eigenvalue profiles, EM and penalized EM algorithms.
result Superior likelihood-parsimony tradeoffs in density fitting, clustering, and denoising.
Traditionally, an artificial neural network (ANN) is trained slowly by a gradient descent algorithm such as the backpropagation algorithm since a large number of hyperparameters of the ANN need to be fine-tuned with many training epochs. To highly speed up training, we created a novel shallow 4-layer ANN called "Pairwi…
Tree-based models outperform deep learning on tabular data, especially for medium-sized datasets.
problem Understanding why tree-based models outperform deep learning on tabular data.
method Extensive benchmarks of tree-based and deep learning models on 45 datasets, accounting for hyperparameters.
result Tree-based models remain state-of-the-art on medium-sized tabular data, even without hyperparameter optimization.
A traditional artificial neural network (ANN) is normally trained slowly by a gradient descent algorithm, such as the backpropagation algorithm, since a large number of hyperparameters of the ANN need to be fine-tuned with many training epochs. Since a large number of hyperparameters of a deep neural network, such as a…
Unified framework for adaptive connection sampling in GNNs improves performance and robustness.
problem Over-smoothing and over-fitting in deep GNNs.
method Adaptive connection sampling trained jointly with GNN model parameters.
result Adaptive connection sampling mathematically equivalent to Bayesian GNNs approximation.
bioLeak addresses data leakage in biomedical machine learning studies.
problem Data leakage causes optimistic bias in machine learning models for biomedical studies.
method bioLeak provides leakage-aware resampling workflows and model audits in R.
result The package supports various machine learning tasks and can detect leakage mechanisms.
ANN learner finds sparse needles in nonlinear haystacks with high probability.
problem Finding sparse features in nonlinear data.
method Generalized LASSO penalty with stochastic gradient descent, warm-start algorithm.
result Phase transition in ANN learner's ability to find needles, better than other learners.
This paper explores hyperparameter optimization for machine learning models.
problem Finding the best hyper-parameters for machine learning models.
method Introduces state-of-the-art optimization techniques and discusses their application.
result Comparison of different optimization methods on benchmark datasets.
Sparse linear (or generalized linear) models combine a standard likelihood function with a sparse prior on the unknown coefficients. These priors can conveniently be expressed as a maximization over zero-mean Gaussians with different variance hyperparameters. Standard MAP estimation (Type I) involves maximizing over bo…
The paper proposes a new method to calibrate option pricing models that accurately match both volatility surfaces and variance term structures.
problem Calibrated models often produce inaccurate variance term structures relative to market observations.
method The paper introduces a joint calibration framework that augments the conventional objective function with a penalty term for variance term structure deviations, using a hyperparameter to balance volatility surface and variance term structure weights.
result The proposed method accurately fits observed option prices while delivering realistic term structures of variance.
Gaussian Processes improve data interpolation from diverse experiments.
problem Interpolation of sparse and inconsistent datasets from various experiments.
method Used Gaussian Processes (GP) for data interpolation, including uncertainty quantification.
result GPs successfully interpolate data and quantify uncertainties, demonstrating consistency across different sources.
Study compares non-parametric models for predicting medical insurance reimbursement delays.
problem Estimating the time-lapse between medical insurance reimbursement.
method Comparative study of four non-parametric regression models (KNNs, SVMs, Decision Trees, Random Forests) using R-squared metric.
result Each model's performance varies with training data size, feature space, and hyperparameters.
Study analyzes neural network models to understand generalization performance.
problem Understanding good generalization in neural networks.
method Analyzed a corpus of models from a public contest, breaking ALPHAHAT into scale and shape metrics.
result Identified a Simpson's paradox in metric performance across different model depths and regularization hyperparameters.
We study the problem of fitting task-specific learning rate schedules from the perspective of hyperparameter optimization, aiming at good generalization. We describe the structure of the gradient of a validation error w.r.t. the learning rate schedule -- the hypergradient. Based on this, we introduce MARTHE, a novel on…
Proposes learning regularization strength directly from data.
problem Computational expense and data reduction in grid search for deep learning hyperparameters.
method Modified Evidence Lower Bound (ELBo) objective for model selection on full training set.
result Comparable heldout accuracy to grid search with less compute time.
A new method approximates expected empirical loss for stochastic deep learning tasks.
problem Determining optimal step sizes for stochastic gradient descent in deep learning.
method Applying one-dimensional function fitting to noisy losses of vertical cross sections to approximate expected empirical loss.
result The method leads to a robust and straightforward optimization method that performs well across datasets and architectures.