Normal Factor Graphs and Holographic Transformations

This paper stands at the intersection of two distinct lines of research. One line is "holographic algorithms," a powerful approach introduced by Valiant for solving various counting problems in computer science; the other is "normal factor graphs," an elegant framework proposed by Forney for representing codes defined on graphs. We introduce the notion of holographic transformations for normal factor graphs, and establish a very general theorem, called the generalized Holant theorem, which relates a normal factor graph to its holographic transformation. We show that the generalized Holant theorem on the one hand underlies the principle of holographic algorithms, and on the other hand reduces to a general duality theorem for normal factor graphs, a special case of which was first proved by Forney. In the course of our development, we formalize a new semantics for normal factor graphs, which highlights various linear algebraic properties that potentially enable the use of normal factor graphs as a linear algebraic tool.Comment: To appear IEEE Trans. Inform. Theor

MixUp as Locally Linear Out-Of-Manifold Regularization

MixUp is a recently proposed data-augmentation scheme, which linearly interpolates a random pair of training examples and correspondingly the one-hot representations of their labels. Training deep neural networks with such additional data is shown capable of significantly improving the predictive accuracy of the current art. The power of MixUp, however, is primarily established empirically and its working and effectiveness have not been explained in any depth. In this paper, we develop an understanding for MixUp as a form of "out-of-manifold regularization", which imposes certain "local linearity" constraints on the model's input space beyond the data manifold. This analysis enables us to identify a limitation of MixUp, which we call "manifold intrusion". In a nutshell, manifold intrusion in MixUp is a form of under-fitting resulting from conflicts between the synthetic labels of the mixed-up examples and the labels of original training data. Such a phenomenon usually happens when the parameters controlling the generation of mixing policies are not sufficiently fine-tuned on the training data. To address this issue, we propose a novel adaptive version of MixUp, where the mixing policies are automatically learned from the data using an additional network and objective function designed to avoid manifold intrusion. The proposed regularizer, AdaMixUp, is empirically evaluated on several benchmark datasets. Extensive experiments demonstrate that AdaMixUp improves upon MixUp when applied to the current art of deep classification models.Comment: Accepted by AAAI201

Tighter Information-Theoretic Generalization Bounds from Supersamples

In this work, we present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.Comment: Accepted to ICML 202

Two Facets of SDE Under an Information-Theoretic Lens: Generalization of SGD via Training Trajectories and via Terminal States

Stochastic differential equations (SDEs) have been shown recently to well characterize the dynamics of training machine learning models with SGD. This provides two opportunities for better understanding the generalization behaviour of SGD through its SDE approximation. First, under the SDE characterization, SGD may be regarded as the full-batch gradient descent with Gaussian gradient noise. This allows the application of the generalization bounds developed by Xu & Raginsky (2017) to analyzing the generalization behaviour of SGD, resulting in upper bounds in terms of the mutual information between the training set and the training trajectory. Second, under mild assumptions, it is possible to obtain an estimate of the steady-state weight distribution of SDE. Using this estimate, we apply the PAC-Bayes-like information-theoretic bounds developed in both Xu & Raginsky (2017) and Negrea et al. (2019) to obtain generalization upper bounds in terms of the KL divergence between the steady-state weight distribution of SGD with respect to a prior distribution. Among various options, one may choose the prior as the steady-state weight distribution obtained by SGD on the same training set but with one example held out. In this case, the bound can be elegantly expressed using the influence function (Koh & Liang, 2017), which suggests that the generalization of the SGD is related to the stability of SGD. Various insights are presented along the development of these bounds, which are subsequently validated numerically

ifMixup: Interpolating Graph Pair to Regularize Graph Classification

We present a simple and yet effective interpolation-based regularization technique, aiming to improve the generalization of Graph Neural Networks (GNNs) on supervised graph classification. We leverage Mixup, an effective regularizer for vision, where random sample pairs and their labels are interpolated to create synthetic images for training. Unlike images with grid-like coordinates, graphs have arbitrary structure and topology, which can be very sensitive to any modification that alters the graph's semantic meanings. This posts two unanswered questions for Mixup-like regularization schemes: Can we directly mix up a pair of graph inputs? If so, how well does such mixing strategy regularize the learning of GNNs? To answer these two questions, we propose ifMixup, which first adds dummy nodes to make two graphs have the same input size and then simultaneously performs linear interpolation between the aligned node feature vectors and the aligned edge representations of the two graphs. We empirically show that such simple mixing schema can effectively regularize the classification learning, resulting in superior predictive accuracy to popular graph augmentation and GNN methods.Comment: To appear in AAAI202