Generalizes leverage score sampling for neural networks, accelerating kernel methods and deep learning.
problem Accelerating kernel methods and deep learning training.
method Generalizes leverage score sampling to neural networks and proves equivalence to neural tangent kernel ridge regression.
result Equivalence between regularized neural network and neural tangent kernel ridge regression under leverage score sampling initialization.
Neural score matching improves high-dimensional causal inference by using neural networks for balancing scores.
problem Impracticality of traditional matching methods in high-dimensional datasets due to the curse of dimensionality.
method Develops neural networks to create non-trivial, multivariate balancing scores for high-dimensional causal inference.
result Neural score matching outperforms other methods in treatment effect estimation and reducing imbalance on high-dimensional datasets.
EWS-GCN improves credit scoring by analyzing money transfer connections.
problem Improving credit scoring in transactional banking data.
method Edge Weight-Shared Graph Convolutional Network (EWS-GCN) combining graph and recurrent neural networks.
result EWS-GCN outperforms state-of-the-art models in credit scoring.
Score-fPINN tackles high-dimensional FPL equations using fractional score functions.
problem High-dimensional Fokker-Planck-Lévy equations with non-Brownian processes.
method Fractional score function and Physics-informed neural networks (PINN) to solve CoD and numerical overflow.
result Effective solution to high-dimensional FPL equations without fractional Laplacian.
New framework for neural network score estimation in diffusion models.
problem Rigorous guarantees for practical score estimation with neural networks.
method Developed a mathematical framework for score estimation with GD-trained neural networks, addressing optimization and generalization.
result Established minimax-optimal generalization bounds for GD-trained neural networks in diffusion models.
Protein-ligand scoring is an important step in a structure-based drug design pipeline. Selecting a correct binding pose and predicting the binding affinity of a protein-ligand complex enables effective virtual screening. Machine learning techniques can make use of the increasing amounts of structural data that are beco…
Survival regression method improves log-likelihood scores.
problem Improper scoring rules in survival regression models.
method SurvivalMonotonic-net (SuMo-net) with monotonic neural networks.
result SuMo-net achieves state-of-the-art log-likelihood scores.
Paper analyzes neural network models for sub-Gaussian distributions, proving approximation and generalization abilities.
problem Estimating unknown distributions from i.i.d. observations using neural network models.
method Score-based neural network generative models (SGMs) with specific network architectures and stopping strategies.
result SGMs can approximate scores with high accuracy and achieve nearly optimal convergence rates under mild assumptions.
New method estimates grouping loss in neural networks to improve confidence scores.
problem Improving confidence scores in neural networks to reflect true posterior probabilities.
method Proposed an estimator to approximate the grouping loss.
result Modern neural networks exhibit grouping loss, especially in distribution shifts.
Theory for deep neural network approximation of score function and its derivatives.
problem Handling data distributions with low-dimensional structure and unbounded support.
method Simultaneous approximation of the score function and its derivatives using deep neural networks.
result Approximation error bounds match literature but relax bounded support requirement.
Deep networks can approximate score functions in high-dimensional graphical models efficiently.
problem Approximation efficiency of score functions by deep neural networks in high-dimensional graphical models like Markov random fields.
method Variational inference denoising algorithms and efficient neural network representation.
result Efficient sample complexity bound for diffusion-based generative modeling when score functions are learned by deep neural networks.
Improves model calibration for deep neural networks using proper scores.
problem Calibration errors in deep neural networks are often biased and inconsistent.
method Introduces proper calibration errors related to proper scores.
result Demonstrates the superiority of proper scores over common estimators.
Large learning rates prevent memorization in denoising score matching.
problem Memorization of training data in diffusion-based generative models.
method Investigating the role of large learning rates in the small-noise regime, proving that they prevent convergence to the empirical optimal score.
result Large learning rates prevent memorization by making it impossible for the learned score to be arbitrarily close to the empirical optimal score.
The paper establishes bounds for score-matching in causal discovery and generative modeling.
problem Estimating causal relationships from data.
method Training a deep neural network to estimate the score function and applying it to causal discovery.
result Bounds on the error rate of causal discovery methods using score-matching.
INNs produce interval-valued uncertainty scores for DNNs.
problem Uncertainty quantification in deep neural networks.
method Data-driven interval propagating network using interval arithmetic.
result INNs produce sensible lower and upper bounds for prediction error.
This paper proposes a new method to approximate posterior distributions using generative neural networks trained via scoring rule minimization.
problem Bayesian Likelihood-Free Inference for models with intractable likelihood.
method Approximate posterior with generative neural networks trained via scoring rule minimization, avoiding the instability of adversarial training.
result Scoring Rule minimization leads to better performance and uncertainty quantification compared to adversarial training.
Diffusion models improve creativity by smoothing the score function, leading to interpolated data.
problem Improving creativity in diffusion models.
method Analyzing the effect of score smoothing on diffusion model dynamics.
result Score smoothing causes diffusion models to generate data that interpolate the training set.
New method generates novel samples from closed-form diffusion models.
problem Closed-form SGMs memorize training data and cannot generate novel samples.
method Explicitly smooth closed-form score, use nearest-neighbor estimator.
result Efficient method generates novel samples without training.
CNNs improve wind speed forecasts in the Netherlands.
problem Limited spatial patterns in current post-processing methods.
method Convolutional Neural Networks (CNNs) for spatial wind speed information.
result CNNs produce better probabilistic forecasts with higher Brier skill scores.
Proposes a novel neural network method to estimate average treatment effect.
problem Bias in estimating average treatment effect due to confounding and instrumental variables.
method Self-balancing neural network (Sbnet) that estimates pseudo propensity scores and average treatment effect in one step.
result Proposed method outperforms state-of-the-art methods in simulations and real-world datasets.
GRM uses graph neural networks to score process activity relevance.
problem Improving business processes with performance measures.
method Graph Relevance Miner (GRM) based on graph neural networks.
result Quantitatively evaluated relevance scores with four datasets.
New maximum score estimators using ReLU functions and deep neural networks.
problem Estimating parameters in models with sign restrictions.
method ReLU-based maximum score criterion and DNN architecture.
result RMS estimator achieves n−s/(2s+1) convergence rate and asymptotic normality. Deep learning improves forensic matching of casings.
problem Identifying if two casings came from the same firearm.
method Contrastive neural networks trained on casings dataset.
result Contrastive learning achieved better ROC AUC than CMC.
Mixed integer programming identifies critical neurons in neural networks.
problem Identifying neurons critical for network performance and generalization.
method Developed a mixed integer program (MIP) to assign importance scores to neurons, guiding pruning decisions.
result The method identifies multiple 'lucky' sub-networks resulting in optimized architectures that generalize across datasets.
The article compares neural networks and logistic regression for credit scoring and introduces a new probability calibration technique.
problem Improving credit scoring accuracy using machine learning techniques.
method Comparison of logistic regression and neural networks, feature importance assessment, temporal feature inclusion, and SURE probability calibration.
result Neural networks can slightly improve credit scoring performance, and SURE calibration technique enhances probability calibration.
Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict binding affinities and poses. The ever-expanding amount of protein-ligand binding an…
Paper develops a framework to optimize neural networks using weighted metrics.
problem Discrepancy between maximizing weighted classification scores and minimizing loss function.
method Formalizes weighted classification metrics and constructs corresponding losses.
result Framework includes well-established approaches like cost-sensitive learning and weighted cross entropy.
We propose a generic framework to calibrate accuracy and confidence of a prediction in deep neural networks through stochastic inferences. We interpret stochastic regularization using a Bayesian model, and analyze the relation between predictive uncertainty of networks and variance of the prediction scores obtained by …
CLEVER (Cross-Lipschitz Extreme Value for nEtwork Robustness) is an Extreme Value Theory (EVT) based robustness score for large-scale deep neural networks (DNNs). In this paper, we propose two extensions on this robustness score. First, we provide a new formal robustness guarantee for classifier functions that are twic…
The study analyzes how deep neural networks treat instances with regular and irregular patterns.
problem Understanding how deep neural networks handle both common and rare patterns in data.
method Characterizes instances using a consistency score based on training data sets of varying sizes.
result The consistency score identifies out-of-distribution and mislabeled examples, distinguishing them from strongly regular examples.
Graph Neural Network improves causal inference in dynamic systems.
problem Identifying causal relations among multi-variate time series.
method Graph Neural Network approach with score-based method.
result Graph Neural Network significantly outperformed other methods in dynamic Bayesian network inference.
We address the problem of learning vector representations for entities and relations in Knowledge Graphs (KGs) for Knowledge Base Completion (KBC). This problem has received significant attention in the past few years and multiple methods have been proposed. Most of the existing methods in the literature use a predefin…
We present a framework based on neural networks to extract music scores directly from polyphonic audio in an end-to-end fashion. Most previous Automatic Music Transcription (AMT) methods seek a piano-roll representation of the pitches, that can be further transformed into a score by incorporating tempo estimation, beat…
This research adapts scoring rules for training survival models, improving predictive performance.
problem Training survival models with traditional methods struggles with censoring.
method Adapting scoring rules for survival analysis, creating a flexible framework for model training.
result Scoring rules can be successfully incorporated into model training, yielding competitive performance.
New machine learning methods for inference from simulated data.
problem Modeling score and likelihood ratio functions from sampled data.
method InferoStatic Networks (ISN), Kernel Score Estimation (KSE), Kernel Likelihood Ratio Estimation (KLRE).
result Improved inference methods for complex models.
MDL principle aids in learning neural network-based causal structures.
problem Learning causal relationships from observations with neural networks.
method Prequential minimum description length (MDL) principle.
result Competitive results on synthetic and real-world data, often recovering correct structure.
Unified approach optimizes neural network training for various metrics.
problem Training and evaluation of neural network binary classifiers often use different metrics.
method Combines differentiable approximation and probabilistic soft sets.
result Effective in optimizing for metrics like F1-Score across various domains.
Study proposes a differentiable surrogate loss function for optimizing Fβ score in binary classification with imbalanced data.
problem Non-differentiability of Fβ score makes it unsuitable for optimization by gradient-based learning. method Investigated relationship between Fβ score and loss functions, proposed a differentiable surrogate loss function. result Gradient paths of the proposed surrogate Fβ loss function approximate the gradient paths of the Fβ score. Docking is an important tool in computational drug discovery that aims to predict the binding pose of a ligand to a target protein through a combination of pose scoring and optimization. A scoring function that is differentiable with respect to atom positions can be used for both scoring and gradient-based optimization…
Paper analyzes SGMs for learning sub-Gaussian distributions without dimensionality constraints.
problem Learning sub-Gaussian distributions in high dimensions with SGMs.
method Introduced complexity notion and proved approximation and generalization rates.
result SGMs can approximate target sub-Gaussian distributions in total variation with dimension-independent rate.
New neural network model improves treatment effect estimation.
problem Estimating treatment effects from observational data.
method Proposes a neural network model leveraging covariates and neighboring instances.
result Reports better treatment effect estimation performance.
Model predicts loan default risk using dynamic multilayer graph neural networks.
problem Credit risk assessment through borrower connections.
method Dynamic multilayer graph neural network with attention mechanism.
result Attention mechanism improves model performance.
Score matching method improves image generation quality.
problem Score matching method underperforms GANs in metrics like Fréchet Inception Distance.
method DSM-ALS with denoising and improved sampling techniques.
result Score matching methods can match GANs in image generation quality.
Score-based martingale posteriors improve uncertainty quantification in deep neural networks.
problem Uncertainty quantification in deep neural networks
method Score-based martingale posteriors
result SMPs provide a fast, deterministic way to simulate the limiting random variable.
Neural network approximates diffusion bridges for efficiency and robustness.
problem Efficient simulation of conditioned diffusion processes, especially rare events and multimodal distributions.
method Trains a neural network to approximate bridge dynamics, eliminating MCMC and score modeling.
result Efficient sampling of conditioned diffusion bridges at comparable cost to unconditioned process.
New neural network with RePU activation approximates smooth functions and their derivatives.
problem Approximating smooth functions and their derivatives with neural networks.
method Differentiable neural networks with RePU activation functions.
result Improved approximation error bounds for RePU-activated neural networks.
MARS meta-learns function scores for improved predictive accuracy and uncertainty.
problem Difficulty in specifying expressive priors for Bayesian meta-learning.
method Meta-learning the score function of data-generating process marginals in the function space.
result State-of-the-art predictive accuracy and improved uncertainty estimates.
A new method learns graph distributions invariant to node ordering.
problem Graphs are hard to model due to node ordering invariance issues.
method Score-based generative modeling with permutation equivariant graph neural network.
result The method achieves better or comparable graph generation results.