New bounds show polyhedral surrogates are optimal for generalization.
problem Proving generalization rates for polyhedral loss functions.
method Developed two general results for polyhedral surrogates.
result Polyhedral surrogates provide linear surrogate regret bounds, translating directly to target rates.
Paper introduces new loss functions for multi-class abstention learning.
problem Learning with multi-class classification and the ability to abstain.
method Developed new families of surrogate losses for abstention.
result Proved strong consistency guarantees for new surrogate losses.
Optimal sampling strategy improves prediction accuracy with surrogate variables under measurement constraints.
problem Measurement-constrained datasets and lack of labeled data.
method A-optimality criterion for optimal sampling, leveraging surrogate variables.
result Achieves lower asymptotic variance and reduced empirical mean squared error.
Enhances polynomial chaos models with uncertainty intervals.
problem Uncertainty quantification in surrogate models.
method Jackknife-based conformal prediction integrated into polynomial chaos expansions.
result Produces accurate predictive intervals for low-accuracy models.
Interpretable surrogates of black-box predictors trained on high-dimensional tabular datasets can struggle to generate comprehensible explanations in the presence of correlated variables. We propose a model-agnostic interpretable surrogate that provides global and local explanations of black-box classifiers to address …
Study on learning to defer with multiple experts using new surrogate losses.
problem Learning to defer with multiple experts in a machine learning context.
method Introducing a new family of surrogate losses for the multiple-expert setting, proving H-consistency bounds, and designing learning algorithms. result Explicit guarantees for new learning to defer algorithms based on minimization of these surrogate losses.
Generative AI improves surrogate models by blending LF and HF data.
problem Data scarcity between high-fidelity and low-fidelity simulations.
method Probabilistic multi-fidelity surrogate framework using generative transfer learning.
result The model achieves HF accuracy with fewer HF evaluations.
A new method SLIDE ensures fairness in AI models.
problem Ensuring fairness in AI models while maintaining computational feasibility.
method Proposes a new surrogate fairness constraint SLIDE.
result SLIDE ensures fairness in AI models asymptotically and converges fast.
New method integrates real and synthetic data to improve machine learning models.
problem Expensive or impractical collection of high-quality data limits machine learning.
method Weighted empirical risk minimization approach for integrating surrogate data.
result Integrating surrogate data can significantly reduce test error on the original distribution.
The minimization of loss functions is the heart and soul of Machine Learning. In this paper, we propose an off-the-shelf optimization approach that can minimize virtually any non-differentiable and non-decomposable loss function (e.g. Miss-classification Rate, AUC, F1, Jaccard Index, Mathew Correlation Coefficient, etc…
Learning with non-modular losses is an important problem when sets of predictions are made simultaneously. The main tools for constructing convex surrogate loss functions for set prediction are margin rescaling and slack rescaling. In this work, we show that these strategies lead to tight convex surrogates iff the unde…
Meta-materials simulation sped up with energy surrogates.
problem Challenging simulation of complex meta-materials due to high-fidelity PDEs.
method Learned component-level surrogates using neural networks to model stored potential energy.
result Surrogates enable accurate macroscopic behavior simulation without full structure simulation.
Empirical risk minimization frequently employs convex surrogates to underlying discrete loss functions in order to achieve computational tractability during optimization. However, classical convex surrogates can only tightly bound modular loss functions, sub-modular functions or supermodular functions separately while …
Study compares 29 emulators across 60 test functions and 40 datasets.
problem Comparing the strengths and weaknesses of different emulators.
method Large-scale, fully reproducible comparison using R package duqling.
result Detailed empirical insights into emulator strengths and weaknesses.
Gaussian process models simplify neural network behavior for easier understanding.
problem Understanding and predicting the behavior of deep learning systems.
method Constructing surrogate models using Gaussian processes from finite neural networks.
result Surrogate models capture phenomena like spectral bias and predict generalization well.
This work introduces a new metric to assess the fidelity of surrogate models to the underlying data-generating signal.
problem The limitations of fidelity-based explanations in explainable AI.
method Introduces the linearity score λ(f) to quantify the extent of a regression network's linear decodability. result High-fidelity surrogates can underperform compared to simpler models and even linear baselines trained directly on the data.
Conformal Candidate Certification advances offline MBO by certifying candidate designs with statistical guarantees.
problem Offline model-based optimization
method Conformal Candidate Certification (CCC)
result CCC certifies 16.7% of an aggressive proposal pool with 0.990 empirical coverage at nominal 0.90.
Develops a transparent surrogate model for complex data.
problem Balancing accuracy and transparency in complex decision-making models.
method Partial dependence effects for feature engineering, smart segmentation, and GLM fitting.
result The maidrr GLM closely approximates a black box model and outperforms benchmarks.
A new method removes biases in data integration by using surrogate control outcomes.
problem Data integration methods can be biased due to data-dependent processes.
method Post-integrated inference method using surrogate control outcomes to account for latent heterogeneity.
result The method provides consistent and efficient estimators under minimal assumptions and potential misspecifications.
Estimating the long-term effects of treatments is of interest in many fields. A common challenge in estimating such treatment effects is that long-term outcomes are unobserved in the time frame needed to make policy decisions. One approach to overcome this missing data problem is to analyze treatments effects on an int…
Recently, several optimization methods have been successfully applied to the hyperparameter optimization of deep neural networks (DNNs). The methods work by modeling the joint distribution of hyperparameter values and corresponding error. Those methods become less practical when applied to modern DNNs whose training ma…
Improved machine learning model performance through data augmentation, custom loss functions, and transfer learning.
problem Poor performance of a traditional engineering model due to limited training data.
method Data augmentation, custom loss functions, transfer learning.
result Improvement of at least 38% in performance across five models.
Rank-based Bayesian Optimization improves molecule selection in chemical systems.
problem Optimizing chemical compounds using traditional regression models.
method Introducing Rank-based Bayesian Optimization (RBO) using ranking models.
result RBO outperforms regression-based BO, especially for rough landscapes and activity cliffs.
New algorithms for multi-class classification with abstention.
problem Learning with abstention in multi-class classification.
method Introducing new surrogate losses and analyzing predictor-rejector framework.
result Strong consistency guarantees for abstention loss function.
Estimates long-term effects of new treatments using historical and short-term data.
problem Estimating long-term effects of novel treatments with limited historical data.
method Surrogate indices, dynamic treatment effect estimation, and double machine learning combined in a unified pipeline.
result Consistent and asymptotically normal estimates of long-term effects under Markovian assumption.
Local update methods' performance depends on learning rates, affecting convergence rates and alignment with true loss.
problem The performance of local update methods in federated learning and meta-learning is sensitive to learning rates.
method Proved that local update methods perform SGD on a surrogate loss function, characterized the surrogate loss, and derived convergence rates.
result Proper learning rate tuning is crucial for near-optimal behavior in communication-limited settings.
Complex classification performance metrics such as the Fβ-measure and Jaccard index are often used, in order to handle class-imbalanced cases such as information retrieval and image segmentation. These performance metrics are not decomposable, that is, they cannot be expressed in a per-example manner, which hinder…
STORM enables edge computing for empirical risk minimization.
problem Training models on edge devices for streaming data.
method Online sketching for empirical risk minimization.
result STORM can estimate least-squares objective accurately.
Generative Bayesian Computation improves surrogates for expensive simulations.
problem Limitations of Gaussian process surrogates in handling complex, non-stationary data.
method Generative Bayesian Computation via Implicit Quantile Networks (IQNs).
result Generative Bayesian Computation outperforms traditional Gaussian process methods across various benchmarks.
Improves disease progression prediction using auxiliary surrogate labels and health markers.
problem Challenges in predicting disease progression due to unknown true disease states.
method Integrates hidden Markov model with time-varying discriminative classification model.
result Significant improvement in distinguishing LBD from AD using objective markers.
Local surrogate models, to approximate the local decision boundary of a black-box classifier, constitute one approach to generate explanations for the rationale behind an individual prediction made by the back-box. This paper highlights the importance of defining the right locality, the neighborhood on which a local su…
New statistical guarantee improves conformal predictors for small datasets.
problem Uncertainty quantification for small datasets in surrogate models.
method Proposed a new statistical guarantee for conformal predictors, converging to standard CP for large datasets.
result The new guarantee offers relevant information about coverage for small data sizes, improving applicability.
Framework improves health by planning actionable treatment processes.
problem Developing objective treatment processes in clinical settings.
method Surrogate Bayesian model combined with ML for personalized health improvement.
result Computed treatment processes are actionable and consistent with clinical knowledge.
Conformal prediction improves prediction intervals for PCEs, especially in sparse cases.
problem Quantifying local model errors in PCEs for small datasets.
method Integration of conformal prediction methods (full and Jackknife+) into full and sparse PCEs.
result Better-calibrated prediction intervals for both full and sparse PCEs.
This paper characterizes and designs loss functions for robust classification with abstention.
problem Ensuring robustness against adversarial attacks and knowing when to abstain from prediction.
method Proposes adversarial robust reject option loss and characterizes surrogates for calibration.
result Shifted Double Ramp Loss and Shifted Double Sigmoid Loss satisfy the calibration conditions.
Graph Neural Simulators improve data efficiency for PDE surrogates.
problem Lack of data efficiency in neural operators for PDE systems.
method Graph Neural Simulators (GNS) leverage message-passing and numerical time-stepping to learn PDE dynamics efficiently.
result GNS achieves less than 1% relative L2 error using only 3% of available trajectories.
We investigate to what extent alternative variants of Artificial Neural Networks (ANNs) are susceptible to adversarial attacks. We analyse the adversarial robustness of conventional, stochastic ANNs and Spiking Neural Networks (SNNs) in the raw image space, across three different datasets. Our experiments reveal that s…
Paper proposes a method to make image model explanations robust to distortions.
problem Ensuring robustness of explanations for images under distortions.
method Embedding perceptual distances in surrogate explainers to evaluate and improve robustness.
result Surrogate explanations become more coherent and robust to distortions.
In Machine Learning as a Service, a provider trains a deep neural network and gives many users access. The hosted (source) model is susceptible to model stealing attacks, where an adversary derives a surrogate model from API access to the source model. For post hoc detection of such attacks, the provider needs a robust…
New method improves model reconstruction using counterfactuals and polytope theory.
problem Reconstructing models with minimal input changes and avoiding decision boundary shifts.
method Using polytope theory to derive loss functions that treat counterfactuals differently from ordinary instances.
result Improves fidelity between target and surrogate model predictions on multiple datasets.
Study examines neural network surrogate models for uncertainty in heat conduction problems.
problem Capturing the full distribution of solution fields, especially at the tails.
method Comparison of feed-forward fully connected network and Deep Operator Network architectures using data-driven and physics-informed loss functions.
result Worst-case prediction errors are significantly larger than mean field errors, highlighting the importance of extreme samples.
A new kernel improves statistical surrogates for stochastic manifolds with diverse data.
problem Handling statistical surrogates for stochastic manifolds with heterogeneous data.
method A transient anisotropic kernel is introduced to improve statistical surrogates for stochastic manifolds with heterogeneous data.
result The transient anisotropic kernel provides a better representation of statistical dependencies in the learned probability measure.
Two new techniques improve zero-shot HPO efficiency.
problem Efficiently selecting hyperparameters for new datasets.
method Surrogate model and multi-fidelity techniques.
result Significant improvement in accuracy compared to standard methods.
A new method for unlearning trained models without needing the original data.
problem Lack of access to original training data for privacy-preserving unlearning.
method Uses a surrogate dataset to approximate statistical properties and calibrates noise based on statistical distance.
result Effective unlearning of trained models with strong privacy guarantees, even without access to the original data.
A new framework uses an Incremental Transformer to design geopolymer mixtures efficiently.
problem Designing geopolymer mixtures with limited data and physical constraints.
method Topology-aware surrogate framework guided by Incremental Transformer.
result The design space is redundant, with fewer effective mixture regimes.
Active sampling improves design space exploration for analog circuits.
problem Efficiently exploring the space of design features in analog circuits with many parameters.
method Combining drastic dimension reduction with sensitivity analysis and Bayesian surrogate modeling for active sampling.
result The proposed active sampling flow outperforms traditional Monte-Carlo sampling.
Paper discovers differential equations from data using neural networks and Bayesian methods.
problem Discovering differential equations from datasets using machine learning.
method Integrates neural network-based surrogates with Sparse Bayesian Learning (SBL).
result Proposes a robust model discovery algorithm and a Physics Informed Normalizing Flow (PINF).
To study radiotherapy-related adverse effects, detailed dose information (3D distribution) is needed for accurate dose-effect modeling. For childhood cancer survivors who underwent radiotherapy in the pre-CT era, only 2D radiographs were acquired, thus 3D dose distributions must be reconstructed from limited informatio…