Contrastive learning has emerged as a premier method for learning representations with or without supervision. Recent studies have shown its utility in graph representation learning for pre-training. Despite successes, the understanding of how to design effective graph augmentations that can capture structural properties common to many different types of downstream graphs remains incomplete. We propose a set of well-motivated graph transformation operations derived via graph spectral analysis to provide a bank of candidates when constructing augmentations for a graph contrastive objective, enabling contrastive learning to capture useful structural representation from pre-training graph datasets. We first present a spectral graph cropping augmentation that involves filtering nodes by applying thresholds to the eigenvalues of the leading Laplacian eigenvectors. Our second novel augmentation reorders the graph frequency components in a structural Laplacian-derived position graph embedding. Further, we introduce a method that leads to improved views of local subgraphs by performing alignment via global random walk embeddings. Our experimental results indicate consistent improvements in out-of-domain graph data transfer compared to state-of-the-art graph contrastive learning methods, shedding light on how to design a graph learner that is able to learn structural properties common to diverse graph types.

Abstract--Self-supervised learning is a popular and powerful method for utilizing large amounts of unlabeled data, for which a wide variety of training objectives have been proposed in the literature. In this study, we perform a Bayesian analysis of state-of-the-art self-supervised learning objectives and propose a unified formulation based on likelihood learning. Our analysis suggests a simple method for integrating self-supervised learning with generative models, allowing for the joint training of these two seemingly distinct approaches. We refer to this combined framework as GEDI, which stands for GEnerative and DIscriminative training. Additionally, we demonstrate an instantiation of the GEDI framework by integrating an energy-based model with a cluster-based self-supervised learning model. Through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, we show that GEDI outperforms existing self-supervised learning strategies in terms of clustering performance by a wide margin. We also demonstrate that GEDI can be integrated into a neural-symbolic framework to address tasks in the small data regime, where it can use logical constraints to further improve clustering and classification performance.

Several proposals have been put forward in recent years for improving out-of-distribution (OOD) performance through mitigating dataset biases. A popular workaround is to train a robust model by re-weighting training examples based on a secondary biased model. Here, the underlying assumption is that the biased model resorts to shortcut features. Hence, those training examples that are correctly predicted by the biased model are flagged as being biased and are down-weighted during the training of the main model. However, assessing the importance of an instance merely based on the predictions of the biased model may be too naive. It is possible that the prediction of the main model can be derived from another decision-making process that is distinct from the behavior of the biased model. To circumvent this, we introduce a fine-tuning strategy that incorporates the similarity between the main and biased model attribution scores in a Product of Experts (PoE) loss function to further improve OOD performance. With experiments conducted on natural language inference and fact verification benchmarks, we show that our method improves OOD results while maintaining in-distribution (ID) performance.

Elucidating exocytosis processes provide insights into cellular neurotransmission mechanisms, and may have potential in neurodegenerative diseases research. Amperometry is an established electrochemical method for the detection of neurotransmitters released from and stored inside cells. An important aspect of the amperometry method is the sub-millisecond temporal resolution of the current recordings which leads to several hundreds of gigabytes of high-quality data. In this study, we present a universal method for the classification with respect to diverse amperometric datasets using data-driven approaches in computational science. We demonstrate a very high prediction accuracy (greater than or equal to 95%). This includes an end-to-end systematic machine learning workflow for amperometric time series datasets consisting of pre-processing; feature extraction; model identification; training and testing; followed by feature importance evaluation - all implemented. We tested the method on heterogeneous amperometric time series datasets generated using different experimental approaches, chemical stimulations, electrode types, and varying recording times. We identified a certain overarching set of common features across these datasets which enables accurate predictions. Further, we showed that information relevant for the classification of amperometric traces are neither in the spiky segments alone, nor can it be retrieved from just the temporal structure of spikes. In fact, the transients between spikes and the trace baselines carry essential information for a successful classification, thereby strongly demonstrating that an effective feature representation of amperometric time series requires the full time series. To our knowledge, this is one of the first studies that propose a scheme for machine learning, and in particular, supervised learning on full amperometry time series data.

Abstract: isual imitation learning enables reinforcement learning agents to learn to behave from expert visual demonstrations such as videos or image sequences, without explicit, well-defined rewards. Previous research either adopted supervised learning techniques or induce simple and coarse scalar rewards from pixels, neglecting the dense information contained in the image demonstrations. In this work, we propose to measure the expertise of various local regions of image samples, or called \textit{patches}, and recover multi-dimensional \textit{patch rewards} accordingly. Patch reward is a more precise rewarding characterization that serves as a fine-grained expertise measurement and visual explainability tool. Specifically, we present Adversarial Imitation Learning with Patch Rewards (PatchAIL), which employs a patch-based discriminator to measure the expertise of different local parts from given images and provide patch rewards.

Image search engines enable the retrieval of images relevant to a query image. In this work, we consider the setting where a query for similar images is derived from a collection of images. For visual search, the similarity measurements may be made along multiple axes, or views, such as style and color. We assume access to a set of feature extractors, each of which computes representations for a specific view. Our objective is to design a retrieval algorithm that effectively combines similarities computed over representations from multiple views. To this end, we propose a self-supervised learning method for extracting disentangled view-specific representations for images such that the inter-view overlap is minimized. We show how this allows us to compute the intent of a collection as a distribution over views. We show how effective retrieval can be performed by prioritizing candidate expansion images that match the intent of a query collection. Finally, we present a new querying mechanism for image search enabled by composing multiple collections and perform retrieval under this setting using the techniques presented in this paper.

In many domains, there are many examples and far fewer labels for those examples; e.g. we may have access to millions of lines of source code, but access to only a handful of warnings about that code. In those domains, semi-supervised learners (SSL) can extrapolate labels from a small number of examples to the rest of the data. Standard SSL algorithms use ``weak'' knowledge (i.e. those not based on specific SE knowledge) such as (e.g.) co-train two learners and use good labels from one to train the other. Another approach of SSL in software analytics is potentially use ``strong'' knowledge that use SE knowledge. For example, an often-used heuristic in SE is that unusually large artifacts contain undesired properties (e.g. more bugs). This paper argues that such ``strong'' algorithms perform better than those standard, weaker, SSL algorithms. We show this by learning models from labels generated using weak SSL or our ``stronger'' FRUGAL algorithm. In four domains (distinguishing security-related bug reports; mitigating bias in decision-making; predicting issue close time; and (reducing false alarms in static code warnings), FRUGAL required only 2.5% of the data to be labeled yet out-performed standard semi-supervised learners that relied on (e.g.) some domain-independent graph theory concepts. Hence, for future work, we strongly recommend the use of strong heuristics for semi-supervised learning for SE applications. To better support other researchers, our scripts and data are on-line at https://github.com/HuyTu7/FRUGAL.

Recently, inspired by DETR variants, query-based end-to-end instance segmentation (QEIS) methods have outperformed CNN-based models on large-scale datasets. Yet they would lose efficacy when only a small amount of training data is available since it's hard for the crucial queries/kernels to learn localization and shape priors. To this end, this work offers a novel unsupervised pre-training solution for low-data regimes. Inspired by the recent success of the Prompting technique, we introduce a new pre-training method that boosts QEIS models by giving Saliency Prompt for queries/kernels. Our method contains three parts: 1) Saliency Masks Proposal is responsible for generating pseudo masks from unlabeled images based on the saliency mechanism. 2) Prompt-Kernel Matching transfers pseudo masks into prompts and injects the corresponding localization and shape priors to the best-matched kernels. 3) Kernel Supervision is applied to supply supervision at the kernel level for robust learning. From a practical perspective, our pre-training method helps QEIS models achieve a similar convergence speed and comparable performance with CNN-based models in low-data regimes. Experimental results show that our method significantly boosts several QEIS models on three datasets. Code will be made available.

In this work, we provide a literature review of active learning (AL) for its applications in natural language processing (NLP). In addition to a fine-grained categorization of query strategies, we also investigate several other important aspects of applying AL to NLP problems. These include AL for structured prediction tasks, annotation cost, model learning (especially Figure 1: Counts of AL (left) and "neural" (right) papers with deep neural models), and starting in the ACL Anthology over the past twenty years.

The Computer-aided Diagnosis or Detection (CAD) approach for skin lesion analysis is an emerging field of research that has the potential to alleviate the burden and cost of skin cancer screening. Researchers have recently indicated increasing interest in developing such CAD systems, with the intention of providing a user-friendly tool to dermatologists to reduce the challenges encountered or associated with manual inspection. This article aims to provide a comprehensive literature survey and review of a total of 594 publications (356 for skin lesion segmentation and 238 for skin lesion classification) published between 2011 and 2022. These articles are analyzed and summarized in a number of different ways to contribute vital information regarding the methods for the development of CAD systems. These ways include relevant and essential definitions and theories, input data (dataset utilization, preprocessing, augmentations, and fixing imbalance problems), method configuration (techniques, architectures, module frameworks, and losses), training tactics (hyperparameter settings), and evaluation criteria. We intend to investigate a variety of performance-enhancing approaches, including ensemble and post-processing. We also discuss these dimensions to reveal their current trends based on utilization frequencies. In addition, we highlight the primary difficulties associated with evaluating skin lesion segmentation and classification systems using minimal datasets, as well as the potential solutions to these difficulties. Findings, recommendations, and trends are disclosed to inform future research on developing an automated and robust CAD system for skin lesion analysis.