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Revisiting Graph Homophily Measures

Mironov, Mikhail, Prokhorenkova, Liudmila

arXiv.org Artificial Intelligence

Homophily is a graph property describing the tendency of edges to connect similar nodes. There are several measures used for assessing homophily but all are known to have certain drawbacks: in particular, they cannot be reliably used for comparing datasets with varying numbers of classes and class size balance. To show this, previous works on graph homophily suggested several properties desirable for a good homophily measure, also noting that no existing homophily measure has all these properties. Our paper addresses this issue by introducing a new homophily measure -- unbiased homophily -- that has all the desirable properties and thus can be reliably used across datasets with different label distributions. The proposed measure is suitable for undirected (and possibly weighted) graphs. We show both theoretically and via empirical examples that the existing homophily measures have serious drawbacks while unbiased homophily has a desirable behavior for the considered scenarios. Finally, when it comes to directed graphs, we prove that some desirable properties contradict each other and thus a measure satisfying all of them cannot exist.


We don't need no labels: Estimating post-deployment model performance under covariate shift without ground truth

Białek, Jakub, Kuberski, Wojtek, Perrakis, Nikolaos

arXiv.org Artificial Intelligence

The performance of machine learning models often degrades after deployment due to data distribution shifts. In many use cases, it is impossible to calculate the post-deployment performance because labels are unavailable or significantly delayed. Proxy methods for evaluating model performance stability, like drift detection techniques, do not properly quantify data distribution shift impact. As a solution, we propose a robust and accurate performance estimation method for evaluating ML classification models on unlabeled data that accurately quantifies the impact of covariate shift on model performance. We call it multi-calibrated confidence-based performance estimation (M-CBPE). It is model and data-type agnostic and works for any performance metric. It does not require access to the monitored model - it uses the model predictions and probability estimates. M-CBPE does not need user input on the nature of the covariate shift as it fully learns from the data. We evaluate it with over 600 dataset-model pairs from US census data and compare it with multiple benchmarks using several evaluation metrics. Results show that M-CBPE is the best method to estimate the performance of classification models in any evaluation context.


Characterizing Graph Datasets for Node Classification: Homophily-Heterophily Dichotomy and Beyond

Platonov, Oleg, Kuznedelev, Denis, Babenko, Artem, Prokhorenkova, Liudmila

arXiv.org Artificial Intelligence

Homophily is a graph property describing the tendency of edges to connect similar nodes; the opposite is called heterophily. It is often believed that heterophilous graphs are challenging for standard message-passing graph neural networks (GNNs), and much effort has been put into developing efficient methods for this setting. However, there is no universally agreed-upon measure of homophily in the literature. In this work, we show that commonly used homophily measures have critical drawbacks preventing the comparison of homophily levels across different datasets. For this, we formalize desirable properties for a proper homophily measure and verify which measures satisfy which properties. In particular, we show that a measure that we call adjusted homophily satisfies more desirable properties than other popular homophily measures while being rarely used in graph machine learning literature. Then, we go beyond the homophily-heterophily dichotomy and propose a new characteristic that allows one to further distinguish different sorts of heterophily. The proposed label informativeness (LI) characterizes how much information a neighbor's label provides about a node's label. We prove that this measure satisfies important desirable properties. We also observe empirically that LI better agrees with GNN performance compared to homophily measures, which confirms that it is a useful characteristic of the graph structure.


Variance Reduction Techniques for Gradient Estimates in Reinforcement Learning

Greensmith, Evan, Bartlett, Peter L., Baxter, Jonathan

Neural Information Processing Systems

We consider the use of two additive control variate methods to reduce the variance of performance gradient estimates in reinforcement learning problems. The first approach we consider is the baseline method, in which a function of the current state is added to the discounted value estimate. We relate the performance of these methods, which use sample paths, to the variance of estimates based on iid data. We derive the baseline function that minimizes this variance, and we show that the variance for any baseline is the sum of the optimal variance and a weighted squared distance to the optimal baseline. We show that the widely used average discounted value baseline (where the reward is replaced by the difference between the reward and its expectation) is suboptimal.


Variance Reduction Techniques for Gradient Estimates in Reinforcement Learning

Greensmith, Evan, Bartlett, Peter L., Baxter, Jonathan

Neural Information Processing Systems

We consider the use of two additive control variate methods to reduce the variance of performance gradient estimates in reinforcement learning problems. The first approach we consider is the baseline method, in which a function of the current state is added to the discounted value estimate. We relate the performance of these methods, which use sample paths, to the variance of estimates based on iid data. We derive the baseline function that minimizes this variance, and we show that the variance for any baseline is the sum of the optimal variance and a weighted squared distance to the optimal baseline. We show that the widely used average discounted value baseline (where the reward is replaced by the difference between the reward and its expectation) is suboptimal.