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Missing data can pose a challenge for machine learning (ML) modeling. To address this, current approaches are categorized into feature imputation and label prediction and are primarily focused on handling missing data to enhance ML performance. These approaches rely on the observed data to estimate the missing values and therefore encounter three main shortcomings in imputation, including the need for different imputation methods for various missing data mechanisms, heavy dependence on the assumption of data distribution, and potential introduction of bias. This study proposes a Contrastive Learning (CL) framework to model observed data with missing values, where the ML model learns the similarity between an incomplete sample and its complete counterpart and the dissimilarity between other samples. Our proposed approach demonstrates the advantages of CL without requiring any imputation. To enhance interpretability, we introduce CIVis, a visual analytics system that incorporates interpretable techniques to visualize the learning process and diagnose the model status. Users can leverage their domain knowledge through interactive sampling to identify negative and positive pairs in CL. The output of CIVis is an optimized model that takes specified features and predicts downstream tasks. We provide two usage scenarios in regression and classification tasks and conduct quantitative experiments, expert interviews, and a qualitative user study to demonstrate the effectiveness of our approach. In short, this study offers a valuable contribution to addressing the challenges associated with ML modeling in the presence of missing data by providing a practical solution that achieves high predictive accuracy and model interpretability.

Advances in passive acoustic monitoring and machine learning have led to the procurement of vast datasets for computational bioacoustic research. Nevertheless, data scarcity is still an issue for rare and underrepresented species. This study investigates how meta-information can improve zero-shot audio classification, utilising bird species as an example case study due to the availability of rich and diverse metadata. We investigate three different sources of metadata: textual bird sound descriptions encoded via (S)BERT, functional traits (AVONET), and bird life-history (BLH) characteristics. As audio features, we extract audio spectrogram transformer (AST) embeddings and project them to the dimension of the auxiliary information by adopting a single linear layer. Then, we employ the dot product as compatibility function and a standard zero-shot learning ranking hinge loss to determine the correct class. The best results are achieved by concatenating the AVONET and BLH features attaining a mean F1-score of .233 over five different test sets with 8 to 10 classes.

With the increasing penetration of machine learning applications in critical decision-making areas, calls for algorithmic fairness are more prominent. Although there have been various modalities to improve algorithmic fairness through learning with fairness constraints, their performance does not generalize well in the test set. A performance-promising fair algorithm with better generalizability is needed. This paper proposes a novel adaptive reweighing method to eliminate the impact of the distribution shifts between training and test data on model generalizability. Most previous reweighing methods propose to assign a unified weight for each (sub)group. Rather, our method granularly models the distance from the sample predictions to the decision boundary. Our adaptive reweighing method prioritizes samples closer to the decision boundary and assigns a higher weight to improve the generalizability of fair classifiers. Extensive experiments are performed to validate the generalizability of our adaptive priority reweighing method for accuracy and fairness measures (i.e., equal opportunity, equalized odds, and demographic parity) in tabular benchmarks. We also highlight the performance of our method in improving the fairness of language and vision models. The code is available at //github.com/che2198/APW.

Differential Dynamic Programming (DDP) is an efficient computational tool for solving nonlinear optimal control problems. It was originally designed as a single shooting method and thus is sensitive to the initial guess supplied. This work considers the extension of DDP to multiple shooting (MS), improving its robustness to initial guesses. A novel derivation is proposed that accounts for the defect between shooting segments during the DDP backward pass, while still maintaining quadratic convergence locally. The derivation enables unifying multiple previous MS algorithms, and opens the door to many smaller algorithmic improvements. A penalty method is introduced to strategically control the step size, further improving the convergence performance. An adaptive merit function and a more reliable acceptance condition are employed for globalization. The effects of these improvements are benchmarked for trajectory optimization with a quadrotor, an acrobot, and a manipulator. MS-DDP is also demonstrated for use in Model Predictive Control (MPC) for dynamic jumping with a quadruped robot, showing its benefits over a single shooting approach.

Generalized zero-shot learning(GZSL) aims to classify samples from seen and unseen labels, assuming unseen labels are not accessible during training. Recent advancements in GZSL have been expedited by incorporating contrastive-learning-based (instance-based) embedding in generative networks and leveraging the semantic relationship between data points. However, existing embedding architectures suffer from two limitations: (1) limited discriminability of synthetic features' embedding without considering fine-grained cluster structures; (2) inflexible optimization due to restricted scaling mechanisms on existing contrastive embedding networks, leading to overlapped representations in the embedding space. To enhance the quality of representations in the embedding space, as mentioned in (1), we propose a margin-based prototypical contrastive learning embedding network that reaps the benefits of prototype-data (cluster quality enhancement) and implicit data-data (fine-grained representations) interaction while providing substantial cluster supervision to the embedding network and the generator. To tackle (2), we propose an instance adaptive contrastive loss that leads to generalized representations for unseen labels with increased inter-class margin. Through comprehensive experimental evaluation, we show that our method can outperform the current state-of-the-art on three benchmark datasets. Our approach also consistently achieves the best unseen performance in the GZSL setting.

Apache TVM (Tensor Virtual Machine), an open source machine learning compiler framework designed to optimize computations across various hardware platforms, provides an opportunity to improve the performance of dense matrix factorizations such as LU (Lower Upper) decomposition and Cholesky decomposition on GPUs and AI (Artificial Intelligence) accelerators. In this paper, we propose a new TVM autotuning framework using Bayesian Optimization and use the TVM tensor expression language to implement linear algebra kernels such as LU, Cholesky, and 3mm. We use these scientific computation kernels to evaluate the effectiveness of our methods on a GPU cluster, called Swing, at Argonne National Laboratory. We compare the proposed autotuning framework with the TVM autotuning framework AutoTVM with four tuners and find that our framework outperforms AutoTVM in most cases.

Unsupervised contrastive learning methods have recently seen significant improvements, particularly through data augmentation strategies that aim to produce robust and generalizable representations. However, prevailing data augmentation methods, whether hand designed or based on foundation models, tend to rely heavily on prior knowledge or external data. This dependence often compromises their effectiveness and efficiency. Furthermore, the applicability of most existing data augmentation strategies is limited when transitioning to other research domains, especially science-related data. This limitation stems from the paucity of prior knowledge and labeled data available in these domains. To address these challenges, we introduce DiffAug-a novel and efficient Diffusion-based data Augmentation technique. DiffAug aims to ensure that the augmented and original data share a smoothed latent space, which is achieved through diffusion steps. Uniquely, unlike traditional methods, DiffAug first mines sufficient prior semantic knowledge about the neighborhood. This provides a constraint to guide the diffusion steps, eliminating the need for labels, external data/models, or prior knowledge. Designed as an architecture-agnostic framework, DiffAug provides consistent improvements. Specifically, it improves image classification and clustering accuracy by 1.6%~4.5%. When applied to biological data, DiffAug improves performance by up to 10.1%, with an average improvement of 5.8%. DiffAug shows good performance in both vision and biological domains.

Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.