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AI for Science (AI4Science), particularly in the form of self-driving labs, has the potential to sideline human involvement and hinder scientific discovery within the broader community. While prior research has focused on ensuring the responsible deployment of AI applications, enhancing security, and ensuring interpretability, we also propose that promoting openness in AI4Science discoveries should be carefully considered. In this paper, we introduce the concept of AI for Open Science (AI4OS) as a multi-agent extension of AI4Science with the core principle of maximizing open knowledge translation throughout the scientific enterprise rather than a single organizational unit. We use the established principles of Knowledge Discovery and Data Mining (KDD) to formalize a language around AI4OS. We then discuss three principle stages of knowledge translation embedded in AI4Science systems and detail specific points where openness can be applied to yield an AI4OS alternative. Lastly, we formulate a theoretical metric to assess AI4OS with a supporting ethical argument highlighting its importance. Our goal is that by drawing attention to AI4OS we can ensure the natural consequence of AI4Science (e.g., self-driving labs) is a benefit not only for its developers but for society as a whole.

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人工智能將與(yu)科研深度結合(he),成為科學家繼計算機之(zhi)后的新生產工具。

With the continuous development of deep learning (DL), the task of multimodal dialogue emotion recognition (MDER) has recently received extensive research attention, which is also an essential branch of DL. The MDER aims to identify the emotional information contained in different modalities, e.g., text, video, and audio, in different dialogue scenes. However, existing research has focused on modeling contextual semantic information and dialogue relations between speakers while ignoring the impact of event relations on emotion. To tackle the above issues, we propose a novel Dialogue and Event Relation-Aware Graph Convolutional Neural Network for Multimodal Emotion Recognition (DER-GCN) method. It models dialogue relations between speakers and captures latent event relations information. Specifically, we construct a weighted multi-relationship graph to simultaneously capture the dependencies between speakers and event relations in a dialogue. Moreover, we also introduce a Self-Supervised Masked Graph Autoencoder (SMGAE) to improve the fusion representation ability of features and structures. Next, we design a new Multiple Information Transformer (MIT) to capture the correlation between different relations, which can provide a better fuse of the multivariate information between relations. Finally, we propose a loss optimization strategy based on contrastive learning to enhance the representation learning ability of minority class features. We conduct extensive experiments on the IEMOCAP and MELD benchmark datasets, which verify the effectiveness of the DER-GCN model. The results demonstrate that our model significantly improves both the average accuracy and the f1 value of emotion recognition.

We consider the problem of inferring latent stochastic differential equations (SDEs) with a time and memory cost that scales independently with the amount of data, the total length of the time series, and the stiffness of the approximate differential equations. This is in stark contrast to typical methods for inferring latent differential equations which, despite their constant memory cost, have a time complexity that is heavily dependent on the stiffness of the approximate differential equation. We achieve this computational advancement by removing the need to solve differential equations when approximating gradients using a novel amortization strategy coupled with a recently derived reparametrization of expectations under linear SDEs. We show that, in practice, this allows us to achieve similar performance to methods based on adjoint sensitivities with more than an order of magnitude fewer evaluations of the model in training.

Neural fields (NeFs) have recently emerged as a versatile method for modeling signals of various modalities, including images, shapes, and scenes. Subsequently, a number of works have explored the use of NeFs as representations for downstream tasks, e.g. classifying an image based on the parameters of a NeF that has been fit to it. However, the impact of the NeF hyperparameters on their quality as downstream representation is scarcely understood and remains largely unexplored. This is in part caused by the large amount of time required to fit datasets of neural fields. In this work, we propose $\verb|fit-a-nef|$, a JAX-based library that leverages parallelization to enable fast optimization of large-scale NeF datasets, resulting in a significant speed-up. With this library, we perform a comprehensive study that investigates the effects of different hyperparameters -- including initialization, network architecture, and optimization strategies -- on fitting NeFs for downstream tasks. Our study provides valuable insights on how to train NeFs and offers guidance for optimizing their effectiveness in downstream applications. Finally, based on the proposed library and our analysis, we propose Neural Field Arena, a benchmark consisting of neural field variants of popular vision datasets, including MNIST, CIFAR, variants of ImageNet, and ShapeNetv2. Our library and the Neural Field Arena will be open-sourced to introduce standardized benchmarking and promote further research on neural fields.

Combinatorial Optimization (CO) problems over graphs appear routinely in many applications such as in optimizing traffic, viral marketing in social networks, and matching for job allocation. Due to their combinatorial nature, these problems are often NP-hard. Existing approximation algorithms and heuristics rely on the search space to find the solutions and become time-consuming when this space is large. In this paper, we design a neural method called COMBHelper to reduce this space and thus improve the efficiency of the traditional CO algorithms based on node selection. Specifically, it employs a Graph Neural Network (GNN) to identify promising nodes for the solution set. This pruned search space is then fed to the traditional CO algorithms. COMBHelper also uses a Knowledge Distillation (KD) module and a problem-specific boosting module to bring further efficiency and efficacy. Our extensive experiments show that the traditional CO algorithms with COMBHelper are at least 2 times faster than their original versions.

Quantum Internetworking is a recent field that promises numerous interesting applications, many of which require the distribution of entanglement between arbitrary pairs of users. This work deals with the problem of scheduling in an arbitrary entanglement swapping quantum network - often called first generation quantum network - in its general topology, multicommodity, loss-aware formulation. We introduce a linear algebraic framework that exploits quantum memory through the creation of intermediate entangled links. The framework is then employed to apply Lyapunov Drift Minimization (a standard technique in classical network science) to mathematically derive a natural class of scheduling policies for quantum networks minimizing the square norm of the user demand backlog. Moreover, an additional class of Max-Weight inspired policies is proposed and benchmarked, reducing significantly the computation cost at the price of a slight performance degradation. The policies are compared in terms of information availability, localization and overall network performance through an ad-hoc simulator that admits user-provided network topologies and scheduling policies in order to showcase the potential application of the provided tools to quantum network design.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.

Recently, Self-Supervised Representation Learning (SSRL) has attracted much attention in the field of computer vision, speech, natural language processing (NLP), and recently, with other types of modalities, including time series from sensors. The popularity of self-supervised learning is driven by the fact that traditional models typically require a huge amount of well-annotated data for training. Acquiring annotated data can be a difficult and costly process. Self-supervised methods have been introduced to improve the efficiency of training data through discriminative pre-training of models using supervisory signals that have been freely obtained from the raw data. Unlike existing reviews of SSRL that have pre-dominately focused upon methods in the fields of CV or NLP for a single modality, we aim to provide the first comprehensive review of multimodal self-supervised learning methods for temporal data. To this end, we 1) provide a comprehensive categorization of existing SSRL methods, 2) introduce a generic pipeline by defining the key components of a SSRL framework, 3) compare existing models in terms of their objective function, network architecture and potential applications, and 4) review existing multimodal techniques in each category and various modalities. Finally, we present existing weaknesses and future opportunities. We believe our work develops a perspective on the requirements of SSRL in domains that utilise multimodal and/or temporal data

Weakly-Supervised Object Detection (WSOD) and Localization (WSOL), i.e., detecting multiple and single instances with bounding boxes in an image using image-level labels, are long-standing and challenging tasks in the CV community. With the success of deep neural networks in object detection, both WSOD and WSOL have received unprecedented attention. Hundreds of WSOD and WSOL methods and numerous techniques have been proposed in the deep learning era. To this end, in this paper, we consider WSOL is a sub-task of WSOD and provide a comprehensive survey of the recent achievements of WSOD. Specifically, we firstly describe the formulation and setting of the WSOD, including the background, challenges, basic framework. Meanwhile, we summarize and analyze all advanced techniques and training tricks for improving detection performance. Then, we introduce the widely-used datasets and evaluation metrics of WSOD. Lastly, we discuss the future directions of WSOD. We believe that these summaries can help pave a way for future research on WSOD and WSOL.

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.

We propose a novel attention gate (AG) model for medical imaging that automatically learns to focus on target structures of varying shapes and sizes. Models trained with AGs implicitly learn to suppress irrelevant regions in an input image while highlighting salient features useful for a specific task. This enables us to eliminate the necessity of using explicit external tissue/organ localisation modules of cascaded convolutional neural networks (CNNs). AGs can be easily integrated into standard CNN architectures such as the U-Net model with minimal computational overhead while increasing the model sensitivity and prediction accuracy. The proposed Attention U-Net architecture is evaluated on two large CT abdominal datasets for multi-class image segmentation. Experimental results show that AGs consistently improve the prediction performance of U-Net across different datasets and training sizes while preserving computational efficiency. The code for the proposed architecture is publicly available.

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