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Model explainability is crucial for human users to be able to interpret how a proposed classifier assigns labels to data based on its feature values. We study generalized linear models constructed using sets of feature value rules, which can capture nonlinear dependencies and interactions. An inherent trade-off exists between rule set sparsity and its prediction accuracy. It is computationally expensive to find the right choice of sparsity -- e.g., via cross-validation -- with existing methods. We propose a new formulation to learn an ensemble of rule sets that simultaneously addresses these competing factors. Good generalization is ensured while keeping computational costs low by utilizing distributionally robust optimization. The formulation utilizes column generation to efficiently search the space of rule sets and constructs a sparse ensemble of rule sets, in contrast with techniques like random forests or boosting and their variants. We present theoretical results that motivate and justify the use of our distributionally robust formulation. Extensive numerical experiments establish that our method improves over competing methods -- on a large set of publicly available binary classification problem instances -- with respect to one or more of the following metrics: generalization quality, computational cost, and explainability.

Given imbalanced data, it is hard to train a good classifier using deep learning because of the poor generalization of minority classes. Traditionally, the well-known synthetic minority oversampling technique (SMOTE) for data augmentation, a data mining approach for imbalanced learning, has been used to improve this generalization. However, it is unclear whether SMOTE also benefits deep learning. In this work, we study why the original SMOTE is insufficient for deep learning, and enhance SMOTE using soft labels. Connecting the resulting soft SMOTE with Mixup, a modern data augmentation technique, leads to a unified framework that puts traditional and modern data augmentation techniques under the same umbrella. A careful study within this framework shows that Mixup improves generalization by implicitly achieving uneven margins between majority and minority classes. We then propose a novel margin-aware Mixup technique that more explicitly achieves uneven margins. Extensive experimental results demonstrate that our proposed technique yields state-of-the-art performance on deep imbalanced classification while achieving superior performance on extremely imbalanced data. The code is open-sourced in our developed package //github.com/ntucllab/imbalanced-DL to foster future research in this direction.

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics implementation and numerical approximations across different simulation suites, models trained on data from one cosmological simulation show a drop in performance when tested on another. Similarly, models trained on any of the simulations would also likely experience a drop in performance when applied to observational data. Training on data from two different suites of the CAMELS hydrodynamic cosmological simulations, we examine the generalization capabilities of Domain Adaptive Graph Neural Networks (DA-GNNs). By utilizing GNNs, we capitalize on their capacity to capture structured scale-free cosmological information from galaxy distributions. Moreover, by including unsupervised domain adaptation via Maximum Mean Discrepancy (MMD), we enable our models to extract domain-invariant features. We demonstrate that DA-GNN achieves higher accuracy and robustness on cross-dataset tasks (up to $28\%$ better relative error and up to almost an order of magnitude better $\chi^2$). Using data visualizations, we show the effects of domain adaptation on proper latent space data alignment. This shows that DA-GNNs are a promising method for extracting domain-independent cosmological information, a vital step toward robust deep learning for real cosmic survey data.

Thermal spray coating is a critical process in many industries, involving the application of coatings to surfaces to enhance their functionality. This paper proposes a framework for modelling and predicting critical target variables in thermal spray coating processes, based on the application of statistical design of experiments (DoE) and the modelling of the data using generalized linear models (GLMs) and gamma regression. Experimental data obtained from thermal spray coating trials are used to validate the presented approach, demonstrating that it is able to accurately model and predict critical target variables and their intricate relationships. As such, the framework has significant potential for the optimization of thermal spray coating processes, and can contribute to the development of more efficient and effective coating technologies in various industries.

Spurious correlations in the data, where multiple cues are predictive of the target labels, often lead to shortcut learning phenomena, where a model may rely on erroneous, easy-to-learn, cues while ignoring reliable ones. In this work, we propose an ensemble diversification framework exploiting the generation of synthetic counterfactuals using Diffusion Probabilistic Models (DPMs). We discover that DPMs have the inherent capability to represent multiple visual cues independently, even when they are largely correlated in the training data. We leverage this characteristic to encourage model diversity and empirically show the efficacy of the approach with respect to several diversification objectives. We show that diffusion-guided diversification can lead models to avert attention from shortcut cues, achieving ensemble diversity performance comparable to previous methods requiring additional data collection.

Submodular maximization under various constraints is a fundamental problem studied continuously, in both computer science and operations research, since the late $1970$'s. A central technique in this field is to approximately optimize the multilinear extension of the submodular objective, and then round the solution. The use of this technique requires a solver able to approximately maximize multilinear extensions. Following a long line of work, Buchbinder and Feldman (2019) described such a solver guaranteeing $0.385$-approximation for down-closed constraints, while Oveis Gharan and Vondr\'ak (2011) showed that no solver can guarantee better than $0.478$-approximation. In this paper, we present a solver guaranteeing $0.401$-approximation, which significantly reduces the gap between the best known solver and the inapproximability result. The design and analysis of our solver are based on a novel bound that we prove for DR-submodular functions. This bound improves over a previous bound due to Feldman et al. (2011) that is used by essentially all state-of-the-art results for constrained maximization of general submodular/DR-submodular functions. Hence, we believe that our new bound is likely to find many additional applications in related problems, and to be a key component for further improvement.

To quantify uncertainty, conformal prediction methods are gaining continuously more interest and have already been successfully applied to various domains. However, they are difficult to apply to time series as the autocorrelative structure of time series violates basic assumptions required by conformal prediction. We propose HopCPT, a novel conformal prediction approach for time series that not only copes with temporal structures but leverages them. We show that our approach is theoretically well justified for time series where temporal dependencies are present. In experiments, we demonstrate that our new approach outperforms state-of-the-art conformal prediction methods on multiple real-world time series datasets from four different domains.

The development of trustworthy conversational information-seeking systems relies on dialogue models that can generate faithful and accurate responses based on relevant knowledge texts. However, two main challenges hinder this task. Firstly, language models may generate hallucinations due to data biases present in their pretraining corpus. Secondly, knowledge texts often contain redundant and irrelevant information that distracts the model's attention from the relevant text span. Previous works use additional data annotations on the knowledge texts to learn a knowledge identification module in order to bypass irrelevant information, but collecting such high-quality span annotations can be costly. In this work, we leverage reinforcement learning algorithms to overcome the above challenges by introducing a novel reward function. Our reward function combines an accuracy metric and a faithfulness metric to provide a balanced quality judgment of generated responses, which can be used as a cost-effective approximation to a human preference reward model when only a few preference annotations are available. Empirical experiments on two conversational information-seeking datasets demonstrate that our method can compete with other strong supervised learning baselines.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.