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Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

This article presents the affordances that Generative Artificial Intelligence can have in disinformation context, one of the major threats to our digitalized society. We present a research framework to generate customized agent-based social networks for disinformation simulations that would enable understanding and evaluation of the phenomena whilst discussing open challenges.

Contrastive loss has been increasingly used in learning representations from multiple modalities. In the limit, the nature of the contrastive loss encourages modalities to exactly match each other in the latent space. Yet it remains an open question how the modality alignment affects the downstream task performance. In this paper, based on an information-theoretic argument, we first prove that exact modality alignment is sub-optimal in general for downstream prediction tasks. Hence we advocate that the key of better performance lies in meaningful latent modality structures instead of perfect modality alignment. To this end, we propose three general approaches to construct latent modality structures. Specifically, we design 1) a deep feature separation loss for intra-modality regularization; 2) a Brownian-bridge loss for inter-modality regularization; and 3) a geometric consistency loss for both intra- and inter-modality regularization. Extensive experiments are conducted on two popular multi-modal representation learning frameworks: the CLIP-based two-tower model and the ALBEF-based fusion model. We test our model on a variety of tasks including zero/few-shot image classification, image-text retrieval, visual question answering, visual reasoning, and visual entailment. Our method achieves consistent improvements over existing methods, demonstrating the effectiveness and generalizability of our proposed approach on latent modality structure regularization.

Multimodality Representation Learning, as a technique of learning to embed information from different modalities and their correlations, has achieved remarkable success on a variety of applications, such as Visual Question Answering (VQA), Natural Language for Visual Reasoning (NLVR), and Vision Language Retrieval (VLR). Among these applications, cross-modal interaction and complementary information from different modalities are crucial for advanced models to perform any multimodal task, e.g., understand, recognize, retrieve, or generate optimally. Researchers have proposed diverse methods to address these tasks. The different variants of transformer-based architectures performed extraordinarily on multiple modalities. This survey presents the comprehensive literature on the evolution and enhancement of deep learning multimodal architectures to deal with textual, visual and audio features for diverse cross-modal and modern multimodal tasks. This study summarizes the (i) recent task-specific deep learning methodologies, (ii) the pretraining types and multimodal pretraining objectives, (iii) from state-of-the-art pretrained multimodal approaches to unifying architectures, and (iv) multimodal task categories and possible future improvements that can be devised for better multimodal learning. Moreover, we prepare a dataset section for new researchers that covers most of the benchmarks for pretraining and finetuning. Finally, major challenges, gaps, and potential research topics are explored. A constantly-updated paperlist related to our survey is maintained at //github.com/marslanm/multimodality-representation-learning.

We employ a toolset -- dubbed Dr. Frankenstein -- to analyse the similarity of representations in deep neural networks. With this toolset, we aim to match the activations on given layers of two trained neural networks by joining them with a stitching layer. We demonstrate that the inner representations emerging in deep convolutional neural networks with the same architecture but different initializations can be matched with a surprisingly high degree of accuracy even with a single, affine stitching layer. We choose the stitching layer from several possible classes of linear transformations and investigate their performance and properties. The task of matching representations is closely related to notions of similarity. Using this toolset, we also provide a novel viewpoint on the current line of research regarding similarity indices of neural network representations: the perspective of the performance on a task.

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

Due to the significance and value in human-computer interaction and natural language processing, task-oriented dialog systems are attracting more and more attention in both academic and industrial communities. In this paper, we survey recent advances and challenges in an issue-specific manner. We discuss three critical topics for task-oriented dialog systems: (1) improving data efficiency to facilitate dialog system modeling in low-resource settings, (2) modeling multi-turn dynamics for dialog policy learning to achieve better task-completion performance, and (3) integrating domain ontology knowledge into the dialog model in both pipeline and end-to-end models. We also review the recent progresses in dialog evaluation and some widely-used corpora. We believe that this survey can shed a light on future research in task-oriented dialog systems.

Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.

Explainable Recommendation refers to the personalized recommendation algorithms that address the problem of why -- they not only provide the user with the recommendations, but also make the user aware why such items are recommended by generating recommendation explanations, which help to improve the effectiveness, efficiency, persuasiveness, and user satisfaction of recommender systems. In recent years, a large number of explainable recommendation approaches -- especially model-based explainable recommendation algorithms -- have been proposed and adopted in real-world systems. In this survey, we review the work on explainable recommendation that has been published in or before the year of 2018. We first high-light the position of explainable recommendation in recommender system research by categorizing recommendation problems into the 5W, i.e., what, when, who, where, and why. We then conduct a comprehensive survey of explainable recommendation itself in terms of three aspects: 1) We provide a chronological research line of explanations in recommender systems, including the user study approaches in the early years, as well as the more recent model-based approaches. 2) We provide a taxonomy for explainable recommendation algorithms, including user-based, item-based, model-based, and post-model explanations. 3) We summarize the application of explainable recommendation in different recommendation tasks, including product recommendation, social recommendation, POI recommendation, etc. We devote a chapter to discuss the explanation perspectives in the broader IR and machine learning settings, as well as their relationship with explainable recommendation research. We end the survey by discussing potential future research directions to promote the explainable recommendation research area.

Within the rapidly developing Internet of Things (IoT), numerous and diverse physical devices, Edge devices, Cloud infrastructure, and their quality of service requirements (QoS), need to be represented within a unified specification in order to enable rapid IoT application development, monitoring, and dynamic reconfiguration. But heterogeneities among different configuration knowledge representation models pose limitations for acquisition, discovery and curation of configuration knowledge for coordinated IoT applications. This paper proposes a unified data model to represent IoT resource configuration knowledge artifacts. It also proposes IoT-CANE (Context-Aware recommendatioN systEm) to facilitate incremental knowledge acquisition and declarative context driven knowledge recommendation.