This study surveys the historical development of regularization, tracing its evolution from stepwise regression in the 1960s to recent advancements in formal error control, structured penalties for non-independent features, Bayesian methods, and l0-based regularization (among other techniques). We empirically evaluate the performance of four canonical frameworks -- Ridge, Lasso, ElasticNet, and Post-Lasso OLS -- across 134,400 simulations spanning a 7-dimensional manifold grounded in eight production-grade machine learning models. Our findings demonstrate that for prediction accuracy when the sample-to-feature ratio is sufficient (n/p >= 78), Ridge, Lasso, and ElasticNet are nearly interchangeable. However, we find that Lasso recall is highly fragile under multicollinearity; at high condition numbers (kappa) and low SNR, Lasso recall collapses to 0.18 while ElasticNet maintains 0.93. Consequently, we advise practitioners against using Lasso or Post-Lasso OLS at high kappa with small sample sizes. The analysis concludes with an objective-driven decision guide to assist machine learning engineers in selecting the optimal scikit-learn-supported framework based on observable feature space attributes.

Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

Decision-making often requires accurate estimation of treatment effects from observational data. This is challenging as outcomes of alternative decisions are not observed and have to be estimated. Previous methods estimate outcomes based on unconfoundedness but neglect any constraints that unconfoundedness imposes on the outcomes. In this paper, we propose a novel regularization framework for estimating average treatment effects that exploits unconfoundedness. To this end, we formalize unconfoundedness as an orthogonality constraint, which ensures that the outcomes are orthogonal to the treatment assignment. This orthogonality constraint is then included in the loss function via a regularization. Based on our regularization framework, we develop deep orthogonal networks for unconfounded treatments (DONUT), which learn outcomes that are orthogonal to the treatment assignment. Using a variety of benchmark datasets for estimating average treatment effects, we demonstrate that DONUT outperforms the state-of-the-art substantially.

Network embedding is an influential graph mining technique for representing nodes in a graph as distributed vectors. However, the majority of network embedding methods focus on learning a single vector representation for each node, which has been recently criticized for not being capable of modeling multiple aspects of a node. To capture the multiple aspects of each node, existing studies mainly rely on offline graph clustering performed prior to the actual embedding, which results in the cluster membership of each node (i.e., node aspect distribution) fixed throughout training of the embedding model. We argue that this not only makes each node always have the same aspect distribution regardless of its dynamic context, but also hinders the end-to-end training of the model that eventually leads to the final embedding quality largely dependent on the clustering. In this paper, we propose a novel end-to-end framework for multi-aspect network embedding, called asp2vec, in which the aspects of each node are dynamically assigned based on its local context. More precisely, among multiple aspects, we dynamically assign a single aspect to each node based on its current context, and our aspect selection module is end-to-end differentiable via the Gumbel-Softmax trick. We also introduce the aspect regularization framework to capture the interactions among the multiple aspects in terms of relatedness and diversity. We further demonstrate that our proposed framework can be readily extended to heterogeneous networks. Extensive experiments towards various downstream tasks on various types of homogeneous networks and a heterogeneous network demonstrate the superiority of asp2vec.

Graph Convolutional Networks (GCNs) have been widely studied for graph data representation and learning. The graph convolution operation in GCNs can usually be regarded as a composition of feature aggregation/propagation and transformation. Existing GCNs generally conduct feature aggregation on a fixed neighborhood graph in which each node computes its representation by aggregating the feature representations of all its neighbors (biased by its own representation). However, this fixed aggregation strategy is not guaranteed to be optimal for GCN based graph learning and also can be affected by some graph structure noises, such as incorrect or undesired edge connections. To address these issues, we propose a novel Graph mask Convolutional Network (GmCN) in which nodes can adaptively select the optimal neighbors in their feature aggregation to better serve GCN learning. More importantly, GmCN can be theoretically interpreted by a unified regularization framework, based on which we derive a simple update algorithm to determine the optimal mask adaptively in GmCN training process. Experiments on several datasets demonstrate the effectiveness of GmCN.

Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the key challenges lies in the difficulty of ensuring semantic validity in context. For example, in molecular graphs, the number of bonding-electron pairs must not exceed the valence of an atom; whereas in protein interaction networks, two proteins may be connected only when they belong to the same or correlated gene ontology terms. These constraints are not easy to be incorporated into a generative model. In this work, we propose a regularization framework for variational autoencoders as a step toward semantic validity. We focus on the matrix representation of graphs and formulate penalty terms that regularize the output distribution of the decoder to encourage the satisfaction of validity constraints. Experimental results confirm a much higher likelihood of sampling valid graphs in our approach, compared with others reported in the literature.

Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the key challenges lies in the difficulty of ensuring semantic validity in context. For example, in molecular graphs, the number of bonding-electron pairs must not exceed the valence of an atom; whereas in protein interaction networks, two proteins may be connected only when they belong to the same or correlated gene ontology terms. These constraints are not easy to be incorporated into a generative model. In this work, we propose a regularization framework for variational autoencoders as a step toward semantic validity. We focus on the matrix representation of graphs and formulate penalty terms that regularize the output distribution of the decoder to encourage the satisfaction of validity constraints. Experimental results confirm a much higher likelihood of sampling valid graphs in our approach, compared with others reported in the literature.

Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the key challenges lies in the difficulty of ensuring semantic validity in context. For examples, in molecular graphs, the number of bonding-electron pairs must not exceed the valence of an atom; whereas in protein interaction networks, two proteins may be connected only when they belong to the same or correlated gene ontology terms. These constraints are not easy to be incorporated into a generative model. In this work, we propose a regularization framework for variational autoencoders as a step toward semantic validity. We focus on the matrix representation of graphs and formulate penalty terms that regularize the output distribution of the decoder to encourage the satisfaction of validity constraints. Experimental results confirm a much higher likelihood of sampling valid graphs in our approach, compared with others reported in the literature.

While there are many studies on weight regularization, the study on structure regularization is rare. Many existing systems on structured prediction focus on increasing the level of structural dependencies within the model. However, this trend could have been misdirected, because our study suggests that complex structures are actually harmful to generalization ability in structured prediction. To control structure-based overfitting, we propose a structure regularization framework via \emph{structure decomposition}, which decomposes training samples into mini-samples with simpler structures, deriving a model with better generalization power. We show both theoretically and empirically that structure regularization can effectively control overfitting risk and lead to better accuracy. As a by-product, the proposed method can also substantially accelerate the training speed. The method and the theoretical results can apply to general graphical models with arbitrary structures. Experiments on well-known tasks demonstrate that our method can easily beat the benchmark systems on those highly-competitive tasks, achieving record-breaking accuracies yet with substantially faster training speed.