Understanding what Artificial Intelligence is and learning how Machine Learning and Deep Learning power it, are overwhelming experiences. In ML, there is something called the "No Free Lunch" theorems which states that no machine learning algorithms works best for every problem, and it's particularly relevant for supervised learning. For example, you can't say that decision trees are always better than neural networks or vice-versa. There are various factors at play, such as the size and structure of your dataset. As a result, you should try many different algorithms for your problem, while using a hold-out "test set" of data to decide performance and select the winning algorithm.

Ionic Liquids (ILs) provide a promising solution for CO$_2$ capture and storage to mitigate global warming. However, identifying and designing the high-capacity IL from the giant chemical space requires expensive, and exhaustive simulations and experiments. Machine learning (ML) can accelerate the process of searching for desirable ionic molecules through accurate and efficient property predictions in a data-driven manner. But existing descriptors and ML models for the ionic molecule suffer from the inefficient adaptation of molecular graph structure. Besides, few works have investigated the explainability of ML models to help understand the learned features that can guide the design of efficient ionic molecules. In this work, we develop both fingerprint-based ML models and Graph Neural Networks (GNNs) to predict the CO$_2$ absorption in ILs. Fingerprint works on graph structure at the feature extraction stage, while GNNs directly handle molecule structure in both the feature extraction and model prediction stage. We show that our method outperforms previous ML models by reaching a high accuracy (MAE of 0.0137, $R^2$ of 0.9884). Furthermore, we take the advantage of GNNs feature representation and develop a substructure-based explanation method that provides insight into how each chemical fragments within IL molecules contribute to the CO$_2$ absorption prediction of ML models. We also show that our explanation result agrees with some ground truth from the theoretical reaction mechanism of CO$_2$ absorption in ILs, which can advise on the design of novel and efficient functional ILs in the future.

In this article, we use artificial intelligence algorithms to show how to enhance the resolution of the elementary particle track fitting in inhomogeneous dense detectors, such as plastic scintillators. We use deep learning to replace more traditional Bayesian filtering methods, drastically improving the reconstruction of the interacting particle kinematics. We show that a specific form of neural network, inherited from the field of natural language processing, is very close to the concept of a Bayesian filter that adopts a hyper-informative prior. Such a paradigm change can influence the design of future particle physics experiments and their data exploitation.

To date, the best-performing blind super-resolution (SR) techniques follow one of two paradigms: A) generate and train a standard SR network on synthetic low-resolution - high-resolution (LR - HR) pairs or B) attempt to predict the degradations an LR image has suffered and use these to inform a customised SR network. Despite significant progress, subscribers to the former miss out on useful degradation information that could be used to improve the SR process. On the other hand, followers of the latter rely on weaker SR networks, which are significantly outperformed by the latest architectural advancements. In this work, we present a framework for combining any blind SR prediction mechanism with any deep SR network, using a metadata insertion block to insert prediction vectors into SR network feature maps. Through comprehensive testing, we prove that state-of-the-art contrastive and iterative prediction schemes can be successfully combined with high-performance SR networks such as RCAN and HAN within our framework. We show that our hybrid models consistently achieve stronger SR performance than both their non-blind and blind counterparts. Furthermore, we demonstrate our framework's robustness by predicting degradations and super-resolving images from a complex pipeline of blurring, noise and compression.

The fashion industry is one of the most active and competitive markets in the world, manufacturing millions of products and reaching large audiences every year. A plethora of business processes are involved in this large-scale industry, but due to the generally short life-cycle of clothing items, supply-chain management and retailing strategies are crucial for good market performance. Correctly understanding the wants and needs of clients, managing logistic issues and marketing the correct products are high-level problems with a lot of uncertainty associated to them given the number of influencing factors, but most importantly due to the unpredictability often associated with the future. It is therefore straightforward that forecasting methods, which generate predictions of the future, are indispensable in order to ameliorate all the various business processes that deal with the true purpose and meaning of fashion: having a lot of people wear a particular product or style, rendering these items, people and consequently brands fashionable. In this paper, we provide an overview of three concrete forecasting tasks that any fashion company can apply in order to improve their industrial and market impact. We underline advances and issues in all three tasks and argue about their importance and the impact they can have at an industrial level. Finally, we highlight issues and directions of future work, reflecting on how learning-based forecasting methods can further aid the fashion industry.

This paper presents a novel positive and negative set selection strategy for contrastive learning of medical images based on labels that can be extracted from clinical data. In the medical field, there exists a variety of labels for data that serve different purposes at different stages of a diagnostic and treatment process. Clinical labels and biomarker labels are two examples. In general, clinical labels are easier to obtain in larger quantities because they are regularly collected during routine clinical care, while biomarker labels require expert analysis and interpretation to obtain. Within the field of ophthalmology, previous work has shown that clinical values exhibit correlations with biomarker structures that manifest within optical coherence tomography (OCT) scans. We exploit this relationship between clinical and biomarker data to improve performance for biomarker classification. This is accomplished by leveraging the larger amount of clinical data as pseudo-labels for our data without biomarker labels in order to choose positive and negative instances for training a backbone network with a supervised contrastive loss. In this way, a backbone network learns a representation space that aligns with the clinical data distribution available. Afterwards, we fine-tune the network trained in this manner with the smaller amount of biomarker labeled data with a cross-entropy loss in order to classify these key indicators of disease directly from OCT scans. Our method is shown to outperform state of the art self-supervised methods by as much as 5% in terms of accuracy on individual biomarker detection.

Social media has been one of the main information consumption sources for the public, allowing people to seek and spread information more quickly and easily. However, the rise of various social media platforms also enables the proliferation of online misinformation. In particular, misinformation in the health domain has significant impacts on our society such as the COVID-19 infodemic. Therefore, health misinformation in social media has become an emerging research direction that attracts increasing attention from researchers of different disciplines. Compared to misinformation in other domains, the key differences of health misinformation include the potential of causing actual harm to humans' bodies and even lives, the hardness to identify for normal people, and the deep connection with medical science. In addition, health misinformation on social media has distinct characteristics from conventional channels such as television on multiple dimensions including the generation, dissemination, and consumption paradigms. Because of the uniqueness and importance of combating health misinformation in social media, we conduct this survey to further facilitate interdisciplinary research on this problem. In this survey, we present a comprehensive review of existing research about online health misinformation in different disciplines. Furthermore, we also systematically organize the related literature from three perspectives: characterization, detection, and intervention. Lastly, we conduct a deep discussion on the pressing open issues of combating health misinformation in social media and provide future directions for multidisciplinary researchers.

Forecasting and decision-making are generally modeled as two sequential steps with no feedback, following an open-loop approach. In this paper, we present application-driven learning, a new closed-loop framework in which the processes of forecasting and decision-making are merged and co-optimized through a bilevel optimization problem. We present our methodology in a general format and prove that the solution converges to the best estimator in terms of the expected cost of the selected application. Then, we propose two solution methods: an exact method based on the KKT conditions of the second-level problem and a scalable heuristic approach suitable for decomposition methods. The proposed methodology is applied to the relevant problem of defining dynamic reserve requirements and conditional load forecasts, offering an alternative approach to current \emph{ad hoc} procedures implemented in industry practices. We benchmark our methodology with the standard sequential least-squares forecast and dispatch planning process. We apply the proposed methodology to an illustrative system and to a wide range of instances, from dozens of buses to large-scale realistic systems with thousands of buses. Our results show that the proposed methodology is scalable and yields consistently better performance than the standard open-loop approach.

In this innovative practice work-in-progress paper, we compare two different methods to teach machine learning concepts to undergraduate students in Electrical Engineering. While machine learning is now being offered as a senior-level elective in several curricula, this does not mean all students are exposed to it. Exposure to the concepts and practical applications of machine learning will assist in the creation of a workforce ready to tackle problems related to machine learning, currently a hot topic in industry. Preliminary assessments indicate that this approach promotes student learning. While students prefer the proposed side-by-side teaching approach, numerical comparisons show that the workshop approach may be more effective for student learning, indicating that further work in this area is required.

While there have been a number of remarkable breakthroughs in machine learning (ML), much of the focus has been placed on model development. However, to truly realize the potential of machine learning in real-world settings, additional aspects must be considered across the ML pipeline. Data-centric AI is emerging as a unifying paradigm that could enable such reliable end-to-end pipelines. However, this remains a nascent area with no standardized framework to guide practitioners to the necessary data-centric considerations or to communicate the design of data-centric driven ML systems. To address this gap, we propose DC-Check, an actionable checklist-style framework to elicit data-centric considerations at different stages of the ML pipeline: Data, Training, Testing, and Deployment. This data-centric lens on development aims to promote thoughtfulness and transparency prior to system development. Additionally, we highlight specific data-centric AI challenges and research opportunities. DC-Check is aimed at both practitioners and researchers to guide day-to-day development. As such, to easily engage with and use DC-Check and associated resources, we provide a DC-Check companion website (https://www.vanderschaar-lab.com/dc-check/). The website will also serve as an updated resource as methods and tooling evolve over time.