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Feature selection is an expensive challenging task in machine learning and data mining aimed at removing irrelevant and redundant features. This contributes to an improvement in classification accuracy, as well as the budget and memory requirements for classification, or any other post-processing task conducted after feature selection. In this regard, we define feature selection as a multi-objective binary optimization task with the objectives of maximizing classification accuracy and minimizing the number of selected features. In order to select optimal features, we have proposed a binary Compact NSGA-II (CNSGA-II) algorithm. Compactness represents the population as a probability distribution to enhance evolutionary algorithms not only to be more memory-efficient but also to reduce the number of fitness evaluations. Instead of holding two populations during the optimization process, our proposed method uses several Probability Vectors (PVs) to generate new individuals. Each PV efficiently explores a region of the search space to find non-dominated solutions instead of generating candidate solutions from a small population as is the common approach in most evolutionary algorithms. To the best of our knowledge, this is the first compact multi-objective algorithm proposed for feature selection. The reported results for expensive optimization cases with a limited budget on five datasets show that the CNSGA-II performs more efficiently than the well-known NSGA-II method in terms of the hypervolume (HV) performance metric requiring less memory. The proposed method and experimental results are explained and analyzed in detail.

Fine-tuning large language models can improve task specific performance, although a general understanding of what the fine-tuned model has learned, forgotten and how to trust its predictions is still missing. We derive principled uncertainty quantification for fine-tuned LLMs with posterior approximations using computationally efficient low-rank adaptation ensembles. We analyze three common multiple-choice datasets using low-rank adaptation ensembles based on Mistral-7b, and draw quantitative and qualitative conclusions on their perceived complexity and model efficacy on the different target domains during and after fine-tuning. In particular, backed by the numerical experiments, we hypothesise about signals from entropic uncertainty measures for data domains that are inherently difficult for a given architecture to learn.

In a regression model with multiple response variables and multiple explanatory variables, if the difference of the mean vectors of the response variables for different values of explanatory variables is always in the direction of the first principal eigenvector of the covariance matrix of the response variables, then it is called a multivariate allometric regression model. This paper studies the estimation of the first principal eigenvector in the multivariate allometric regression model. A class of estimators that includes conventional estimators is proposed based on weighted sum-of-squares matrices of regression sum-of-squares matrix and residual sum-of-squares matrix. We establish an upper bound of the mean squared error of the estimators contained in this class, and the weight value minimizing the upper bound is derived. Sufficient conditions for the consistency of the estimators are discussed in weak identifiability regimes under which the difference of the largest and second largest eigenvalues of the covariance matrix decays asymptotically and in ``large $p$, large $n$" regimes, where $p$ is the number of response variables and $n$ is the sample size. Several numerical results are also presented.

The splitting-off operation in undirected graphs is a fundamental reduction operation that detaches all edges incident to a given vertex and adds new edges between the neighbors of that vertex while preserving their degrees. Lov\'asz (1974) and Mader (1978) showed the existence of this operation while preserving global and local connectivities respectively in graphs under certain conditions. These results have far-reaching applications in graph algorithms literature. In this work, we introduce a splitting-off operation in hypergraphs. We show that there exists a local connectivity preserving complete splitting-off in hypergraphs and give a strongly polynomial-time algorithm to compute it in weighted hypergraphs. We illustrate the usefulness of our splitting-off operation in hypergraphs by showing two applications: (1) we give a constructive characterization of $k$-hyperedge-connected hypergraphs and (2) we give an alternate proof of an approximate min-max relation for max Steiner rooted-connected orientation of graphs and hypergraphs (due to Kir\'aly and Lau (Journal of Combinatorial Theory, 2008; FOCS 2006)). Our proof of the approximate min-max relation for graphs circumvents the Nash-Williams' strong orientation theorem and uses tools developed for hypergraphs.

Recent advances in operations research and machine learning have revived interest in solving complex real-world, large-size traffic control problems. With the increasing availability of road sensor data, deterministic parametric models have proved inadequate in describing the variability of real-world data, especially in congested area of the density-flow diagram. In this paper we estimate the stochastic density-flow relation introducing a nonparametric method called convex quantile regression. The proposed method does not depend on any prior functional form assumptions, but thanks to the concavity constraints, the estimated function satisfies the theoretical properties of the density-flow curve. The second contribution is to develop the new convex quantile regression with bags (CQRb) approach to facilitate practical implementation of CQR to the real-world data. We illustrate the CQRb estimation process using the road sensor data from Finland in years 2016-2018. Our third contribution is to demonstrate the excellent out-of-sample predictive power of the proposed CQRb method in comparison to the standard parametric deterministic approach.

We propose a simple empirical representation of expectations such that: For a number of samples above a certain threshold, drawn from any probability distribution with finite fourth-order statistic, the proposed estimator outperforms the empirical average when tested against the actual population, with respect to the quadratic loss. For datasets smaller than this threshold, the result still holds, but for a class of distributions determined by their first four statistics. Our approach leverages the duality between distributionally robust and risk-averse optimization.

Normalizing flow is a class of deep generative models for efficient sampling and likelihood estimation, which achieves attractive performance, particularly in high dimensions. The flow is often implemented using a sequence of invertible residual blocks. Existing works adopt special network architectures and regularization of flow trajectories. In this paper, we develop a neural ODE flow network called JKO-iFlow, inspired by the Jordan-Kinderleherer-Otto (JKO) scheme, which unfolds the discrete-time dynamic of the Wasserstein gradient flow. The proposed method stacks residual blocks one after another, allowing efficient block-wise training of the residual blocks, avoiding sampling SDE trajectories and score matching or variational learning, thus reducing the memory load and difficulty in end-to-end training. We also develop adaptive time reparameterization of the flow network with a progressive refinement of the induced trajectory in probability space to improve the model accuracy further. Experiments with synthetic and real data show that the proposed JKO-iFlow network achieves competitive performance compared with existing flow and diffusion models at a significantly reduced computational and memory cost.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Heterogeneous graph neural networks (HGNNs) as an emerging technique have shown superior capacity of dealing with heterogeneous information network (HIN). However, most HGNNs follow a semi-supervised learning manner, which notably limits their wide use in reality since labels are usually scarce in real applications. Recently, contrastive learning, a self-supervised method, becomes one of the most exciting learning paradigms and shows great potential when there are no labels. In this paper, we study the problem of self-supervised HGNNs and propose a novel co-contrastive learning mechanism for HGNNs, named HeCo. Different from traditional contrastive learning which only focuses on contrasting positive and negative samples, HeCo employs cross-viewcontrastive mechanism. Specifically, two views of a HIN (network schema and meta-path views) are proposed to learn node embeddings, so as to capture both of local and high-order structures simultaneously. Then the cross-view contrastive learning, as well as a view mask mechanism, is proposed, which is able to extract the positive and negative embeddings from two views. This enables the two views to collaboratively supervise each other and finally learn high-level node embeddings. Moreover, two extensions of HeCo are designed to generate harder negative samples with high quality, which further boosts the performance of HeCo. Extensive experiments conducted on a variety of real-world networks show the superior performance of the proposed methods over the state-of-the-arts.

Although measuring held-out accuracy has been the primary approach to evaluate generalization, it often overestimates the performance of NLP models, while alternative approaches for evaluating models either focus on individual tasks or on specific behaviors. Inspired by principles of behavioral testing in software engineering, we introduce CheckList, a task-agnostic methodology for testing NLP models. CheckList includes a matrix of general linguistic capabilities and test types that facilitate comprehensive test ideation, as well as a software tool to generate a large and diverse number of test cases quickly. We illustrate the utility of CheckList with tests for three tasks, identifying critical failures in both commercial and state-of-art models. In a user study, a team responsible for a commercial sentiment analysis model found new and actionable bugs in an extensively tested model. In another user study, NLP practitioners with CheckList created twice as many tests, and found almost three times as many bugs as users without it.