Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are indistinguishable by the 1-WL test (Morris et al. 2018; Xu et al. 2019). Unfortunately, many s…
ISP improves GNN expressivity by stratifying nodes based on graph invariants.
problem Graph Neural Networks struggle with expressivity and structural heterogeneity.
method Invariant-Stratified Propagation (ISP) using ISP-WL and ISPGNN.
result ISP achieves enhanced expressivity beyond 1-WL, with theoretical guarantees and practical improvements.
Weisfeiler-Leman struggles with graph isomorphism; enhanced architectures improve generalization.
problem Graph isomorphism problem and limited expressivity of 1-WL. method Augmenting 1-WL and MPNNs with subgraph information, employing margin theory, and introducing provable generalization kernels. result Increased expressivity of graph neural networks and kernels does not necessarily correlate with improved generalization performance.
ESAN improves graph neural networks by processing subgraphs.
problem Limitations of MPNNs in graph isomorphism.
method ESAN represents graphs as sets of subgraphs and processes them with equivariant architectures.
result ESAN increases the expressive power of GNNs and more expressive architectures.
PathNNs improve graph neural networks by distinguishing non-isomorphic graphs.
problem Limitations of standard GNNs in distinguishing non-isomorphic graphs.
method Proposes PathNNs that aggregate paths to update node representations.
result Two variants of PathNNs are strictly more powerful than 1-WL algorithm.
In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically -- showing promising results. The following work investigates GNNs from a theoretical…
Study extends GNN VC dimension bounds to Pfaffian activation functions.
problem Bounding GNN VC dimension for new activation functions.
method Pfaffian function theory applied to GNNs with sigmoid and hyperbolic tangent activations.
result Bounds on GNN VC dimension for various architectures and graph properties.
DE improves GNNs by distinguishing graph substructures, enhancing accuracy.
problem Limited expressive power of GNNs in representing graph substructures.
method Introduces Distance Encoding (DE) to assist GNNs in distinguishing graph substructures.
result DE distinguishes graph substructures that traditional GNNs cannot, improving accuracy.
New MPNNs match 2-WL, faster distinguishing graphs.
problem Improving graph neural network expressiveness.
method Introducing ℓ-walk MPNNs and second-order GNNs. result Walk MPNNs match 2-WL and can distinguish graphs faster.
Enhances GNNs to better capture local graph structures.
problem Limited expressiveness of GNNs due to star-shaped message passing.
method Extends local aggregation to subgraph patterns using GNN encoders.
result Significantly improved performance on graph ML tasks.
New framework extends graph neural networks by improving expressiveness and space efficiency.
problem Limitations of existing graph neural networks, particularly in expressive power and space complexity.
method Proposed (k,t)-FWL+, a flexible and powerful framework that combines (k,t)-FWL and k-FWL+. result Demonstrated N2-FWL, a practical and theoretically sound instance of (k,t)-FWL+, achieving record-breaking results on ZINC-Subset. The paper connects GNNs to VC dimension theory to study their generalization performance.
problem Understanding GNNs' ability to make meaningful predictions beyond the training set.
method Using Vapnik-Chervonenkis (VC) dimension theory in two settings: no upper bound on graph order and known upper bound.
result Tight connections between GNNs' bitlength, number of colors, and VC dimension in different settings.
PatchGT uses non-trainable graph patches to improve graph representation learning.
problem Learning high-level information in graph tasks with direct Transformer models.
method PatchGT segments graphs into non-trainable patches, uses GNN for patch-level learning, and Transformer for graph-level learning.
result PatchGT achieves higher expressiveness and competitive performance on benchmark datasets.
Many methods for automated software test generation, including some that explicitly use machine learning (and some that use ML more broadly conceived) derive new tests from existing tests (often referred to as seeds). Often, the seed tests from which new tests are derived are manually constructed, or at least simpler t…
A family of maximum mean discrepancy (MMD) kernel two-sample tests is introduced. Members of the test family are called Block-tests or B-tests, since the test statistic is an average over MMDs computed on subsets of the samples. The choice of block size allows control over the tradeoff between test power and computatio…
USP test improves on Pearson's chi-squared and G-test for independence.
problem Deficiencies in Pearson's chi-squared and G-test for independence. method USP test based on U-statistic estimator of population dependence measure. result USP test controls size, handles small cell counts, and detects minimal violations of independence.
E-C2ST uses E-values for high-dimensional data two-sample tests.
problem Statistical testing for high-dimensional data.
method Combines split likelihood ratio tests and predictive independence tests, using E-values for anytime-valid sequential tests.
result E-C2ST achieves enhanced statistical power by partitioning datasets into multiple batches.
This paper provides a comprehensive survey of Machine Learning Testing (ML testing) research. It covers 144 papers on testing properties (e.g., correctness, robustness, and fairness), testing components (e.g., the data, learning program, and framework), testing workflow (e.g., test generation and test evaluation), and …
Cheap permutation tests speed up distribution testing without sacrificing accuracy.
problem Efficiently testing distribution differences and independence.
method Group datapoints into bins and permute only these bins, using stored sufficient statistics.
result Cheap permutation tests maintain the accuracy and optimality of standard tests but are significantly faster.
Paper proposes a chi-square test for distance correlation.
problem Testing distance correlation is computationally expensive.
method Proposes a chi-square test for distance correlation, non-parametric, fast, applicable to various metrics.
result Chi-square test exhibits similar power to permutation test and can be valid and universally consistent for testing independence.
The paper tests properties of multiple distributions with limited samples.
problem Testing properties of multiple distributions with few samples.
method Designing testers for uniformity, identity, and closeness testing under specific conditions.
result Sample optimal testers for uniformity, identity, and closeness testing are provided.
Optimizes two-sample tests for non-Euclidean domains using spectral regularization.
problem Optimizing two-sample tests for non-Euclidean domains.
method Spectral regularization of MMD test to achieve minimax optimality.
result Proposes a spectral regularization method that improves test optimality.
DRIFT uses RL to automate functional software testing efficiently.
problem Efficient and reliable automated software testing.
method DRIFT employs Q-learning with Graph Neural Networks on symbolic UI representations.
result DRIFT can robustly test software functionalities in a fully automated manner.
Post hoc test for Sharpe ratio improves pairwise comparisons.
problem Improving pairwise comparisons of Sharpe ratios.
method Analogous to Tukey's test, applied after rejecting equal Signal-Noise ratios.
result Maintains nominal type I rate and is moderately powerful.
Robust test for distributions under Hellinger distance, simpler than optimal tests.
problem Testing and estimating distributions robustly under Hellinger distance.
method Simple robust hypothesis test with optimal sample complexity, robust to Hellinger distance perturbations.
result Empirically demonstrated robustness and power of the test on canonical distributions.
Framework for online hypothesis testing across various data types.
problem Testing various nonparametric hypotheses in data streams.
method Unified framework using operators on data distributions, leveraging ML models.
result Efficient, adaptive, and error-controlled sequential tests.
A new method for kernel tests without data splitting increases power.
problem Lack of power in kernel-based tests due to data splitting.
method Selective inference framework to learn hyperparameters and test on full sample.
result Empirically larger test power without data splitting, regardless of split proportion.
Develops a new test for comparing two groups' densities, showing minimax optimality.
problem Comparing probability densities between two groups.
method Probabilistic tensor product smoothing spline framework for joint density modeling; penalized likelihood ratio test for interaction testing.
result Proposed test is minimax optimal and outperforms conventional approaches.
Model-X test detects conditional independence in streaming data.
problem Detecting conditional independence in data streams with arbitrary dependency.
method Sequential testing inspired by model-X and testing by betting.
result Significantly reduces type-I error rate and enhances data efficiency.
Simple methods combine statistical tests for out-of-distribution detection.
problem Detecting data points not following the training distribution.
method Combining classical parametric tests (Rao's score test) and a typicality test.
result Combining Fisher's method of test statistics improves out-of-distribution detection accuracy.
Unified score and distance-based GoF tests for model adequacy.
problem Difficulty in extending score-based GoF tests to nonparametric alternatives.
method Introducing semiparametric kernelized Stein discrepancy (SKSD) test.
result SKSD test is computationally efficient and universally consistent.
AutoML simplifies two-sample tests for detecting distribution shifts.
problem Detecting distribution shifts between datasets.
method Uses mean discrepancy of a witness function with squared loss minimization.
result AutoML simplifies and improves two-sample testing performance.
New methods for CI testing under model misspecification.
problem Challenges in CI testing with misspecified models.
method Proposes new approximations and upper bounds for testing errors of regression-based CI tests.
result Introduces the Rao-Blackwellized Predictor Test (RBPT) robust against misspecified inductive biases.
New KCM tests improve specification testing via RKHS.
problem Improving specification tests for econometric models.
method Kernel conditional moment (KCM) tests based on RKHS.
result KCM tests have better finite-sample performance than existing tests.
The repeated community-wide reuse of test sets in popular benchmark problems raises doubts about the credibility of reported test-error rates. Verifying whether a learned model is overfitted to a test set is challenging as independent test sets drawn from the same data distribution are usually unavailable, while other …
Discusses MultiFIT for multivariate dependence, comparing it to HSIC tests.
problem Comparing Multiscale Fisher's Independence Test (MultiFIT) to HSIC tests for multivariate dependence.
method Compares MultiFIT to HSIC tests, highlighting exact level control and performance limitations.
result Observes performance limitations of MultiFIT in terms of test power.
Develops hypothesis tests for conditional distributions using learning-theoretic bounds.
problem Testing differences in conditional distributions and functionals.
method Transforming learning-theoretic bounds into hypothesis tests for conditional expectations.
result Establishes comprehensive foundation for conditional testing, including theoretical guarantees and practical implementations.
Develops tests for conditional symmetry under group actions.
problem Testing conditional symmetry in distributions under group actions.
method Nonparametric randomization tests with kernel methods and asymptotic consistency.
result Tests achieve finite-sample Type I error control and power.
Paper proposes a new method for more accurate group testing of infected patients.
problem Identifying infected patients efficiently with reduced tests and corrected errors.
method Adaptive design of pools based on Bayesian posterior prediction using belief propagation algorithm.
result The proposed method results in more accurate identification of infected patients.
BERET improves binary expansion test for multivariate independence.
problem Testing independence of random vectors in arbitrary dimensions.
method Ensemble approach using sum of squared symmetry statistics and distance correlation.
result Improves power while preserving interpretability.
This paper introduces differentially private permutation tests for hypothesis testing.
problem Privacy concerns in sensitive data analysis.
method Differentially private permutation tests for kernel methods.
result Proposes dpMMD and dpHSIC for two-sample and independence testing, achieving optimal power.
Improved MMD test for two-sample testing with random Fourier features.
problem Quadratic-time complexity of MMD test for large-scale analysis.
method Approximated MMD test using random Fourier features, investigating time-power trade-off.
result Sub-quadratic time complexity with same minimax separation rates as MMD test.
Paper proposes a robust test for high-dimensional models with large covariates and instruments.
problem Testing high-dimensional linear instrumental variable models with large covariates and instruments.
method Introduces a test based on the maximum norm of multiple parameters and a power-enhanced test.
result The proposed test is robust to heteroskedastic errors and has higher power than existing tests.
Polynomial-time test for detecting dense subgraphs in heterogeneous networks.
problem Detecting a planted community in heterogeneous networks.
method Proposes a polynomial-time test with a standard normal distribution null limiting distribution.
result The test is efficient and performs well in both simulations and real data.
The study analyzes group testing algorithms for identifying defective items with high confidence.
problem Identifying defective items from a population using group testing with high confidence.
method Formulated as a function learning problem using the PAC framework, analyzed three algorithms: column matching, combinatorial basis pursuit, and definite defectives.
result Derived bounds on the number of tests needed for approximate set identification, comparing with existing bounds and simulating performance.
We propose a novel adaptive test of goodness-of-fit, with computational cost linear in the number of samples. We learn the test features that best indicate the differences between observed samples and a reference model, by minimizing the false negative rate. These features are constructed via Stein's method, meaning th…
A permutation-based SW test achieves minimax-optimal power for two-sample testing.
problem Nonparametric two-sample testing using the sliced Wasserstein distance.
method Proposes a permutation-based SW test and analyzes its performance.
result Achieves minimax separation rate n−1/2 over multinomial and bounded-support alternatives. This paper explores the information-theoretic limitations of graph property testing in zero-field Ising models. Instead of learning the entire graph structure, sometimes testing a basic graph property such as connectivity, cycle presence or maximum clique size is a more relevant and attainable objective. Since property…