Quantum and quantum-inspired machine learning has emerged as a promising and challenging research field due to the increased popularity of quantum computing, especially with near-term devices. Theoretical contributions point toward generative modeling as a promising direction to realize the first examples of real-world quantum advantages from these technologies. A few empirical studies also demonstrate such potential, especially when considering quantum-inspired models based on tensor networks. In this work, we apply tensor-network-based generative models to the problem of molecular discovery. In our approach, we utilize two small molecular datasets: a subset of $4989$ molecules from the QM9 dataset and a small in-house dataset of $516$ validated antioxidants from TotalEnergies. We compare several tensor network models against a generative adversarial network using different sample-based metrics, which reflect their learning performances on each task, and multiobjective performances using $3$ relevant molecular metrics per task. We also combined the output of the models and demonstrate empirically that such a combination can be beneficial, advocating for the unification of classical and quantum(-inspired) generative learning.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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The ongoing deep learning revolution has allowed computers to outclass humans in various games and perceive features imperceptible to humans during classification tasks. Current machine learning techniques have clearly distinguished themselves in specialized tasks. However, we have yet to see robots capable of performing multiple tasks at an expert level. Most work in this field is focused on the development of more sophisticated learning algorithms for a robot's controller given a largely static and presupposed robotic design. By focusing on the development of robotic bodies, rather than neural controllers, I have discovered that robots can be designed such that they overcome many of the current pitfalls encountered by neural controllers in multitask settings. Through this discovery, I also present novel metrics to explicitly measure the learning ability of a robotic design and its resistance to common problems such as catastrophic interference. Traditionally, the physical robot design requires human engineers to plan every aspect of the system, which is expensive and often relies on human intuition. In contrast, within the field of evolutionary robotics, evolutionary algorithms are used to automatically create optimized designs, however, such designs are often still limited in their ability to perform in a multitask setting. The metrics created and presented here give a novel path to automated design that allow evolved robots to synergize with their controller to improve the computational efficiency of their learning while overcoming catastrophic interference. Overall, this dissertation intimates the ability to automatically design robots that are more general purpose than current robots and that can perform various tasks while requiring less computation.
Quantum theory, originally proposed as a physical theory to describe the motions of microscopic particles, has been applied to various non-physics domains involving human cognition and decision-making that are inherently uncertain and exhibit certain non-classical, quantum-like characteristics. Sentiment analysis is a typical example of such domains. In the last few years, by leveraging the modeling power of quantum probability (a non-classical probability stemming from quantum mechanics methodology) and deep neural networks, a range of novel quantum-cognitively inspired models for sentiment analysis have emerged and performed well. This survey presents a timely overview of the latest developments in this fascinating cross-disciplinary area. We first provide a background of quantum probability and quantum cognition at a theoretical level, analyzing their advantages over classical theories in modeling the cognitive aspects of sentiment analysis. Then, recent quantum-cognitively inspired models are introduced and discussed in detail, focusing on how they approach the key challenges of the sentiment analysis task. Finally, we discuss the limitations of the current research and highlight future research directions.
In contrast to large text corpora, knowledge graphs (KG) provide dense and structured representations of factual information. This makes them attractive for systems that supplement or ground the knowledge found in pre-trained language models with an external knowledge source. This has especially been the case for classification tasks, where recent work has focused on creating pipeline models that retrieve information from KGs like ConceptNet as additional context. Many of these models consist of multiple components, and although they differ in the number and nature of these parts, they all have in common that for some given text query, they attempt to identify and retrieve a relevant subgraph from the KG. Due to the noise and idiosyncrasies often found in KGs, it is not known how current methods compare to a scenario where the aligned subgraph is completely relevant to the query. In this work, we try to bridge this knowledge gap by reviewing current approaches to text-to-KG alignment and evaluating them on two datasets where manually created graphs are available, providing insights into the effectiveness of current methods.
The computing education community has a rich history of pedagogical innovation designed to support students in introductory courses, and to support teachers in facilitating student learning. Very recent advances in artificial intelligence have resulted in code generation models that can produce source code from natural language problem descriptions -- with impressive accuracy in many cases. The wide availability of these models and their ease of use has raised concerns about potential impacts on many aspects of society, including the future of computing education. In this paper, we discuss the challenges and opportunities such models present to computing educators, with a focus on introductory programming classrooms. We summarize the results of two recent articles, the first evaluating the performance of code generation models on typical introductory-level programming problems, and the second exploring the quality and novelty of learning resources generated by these models. We consider likely impacts of such models upon pedagogical practice in the context of the most recent advances at the time of writing.
Quantum neural networks (QNNs) use parameterized quantum circuits with data-dependent inputs and generate outputs through the evaluation of expectation values. Calculating these expectation values necessitates repeated circuit evaluations, thus introducing fundamental finite-sampling noise even on error-free quantum computers. We reduce this noise by introducing the variance regularization, a technique for reducing the variance of the expectation value during the quantum model training. This technique requires no additional circuit evaluations if the QNN is properly constructed. Our empirical findings demonstrate the reduced variance speeds up the training and lowers the output noise as well as decreases the number of measurements in the gradient circuit evaluation. This regularization method is benchmarked on the regression of multiple functions. We show that in our examples, it lowers the variance by an order of magnitude on average and leads to a significantly reduced noise level of the QNN. We finally demonstrate QNN training on a real quantum device and evaluate the impact of error mitigation. Here, the optimization is practical only due to the reduced number shots in the gradient evaluation resulting from the reduced variance.
Text Classification is the most essential and fundamental problem in Natural Language Processing. While numerous recent text classification models applied the sequential deep learning technique, graph neural network-based models can directly deal with complex structured text data and exploit global information. Many real text classification applications can be naturally cast into a graph, which captures words, documents, and corpus global features. In this survey, we bring the coverage of methods up to 2023, including corpus-level and document-level graph neural networks. We discuss each of these methods in detail, dealing with the graph construction mechanisms and the graph-based learning process. As well as the technological survey, we look at issues behind and future directions addressed in text classification using graph neural networks. We also cover datasets, evaluation metrics, and experiment design and present a summary of published performance on the publicly available benchmarks. Note that we present a comprehensive comparison between different techniques and identify the pros and cons of various evaluation metrics in this survey.
Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.
Deep learning shows great potential in generation tasks thanks to deep latent representation. Generative models are classes of models that can generate observations randomly with respect to certain implied parameters. Recently, the diffusion Model becomes a raising class of generative models by virtue of its power-generating ability. Nowadays, great achievements have been reached. More applications except for computer vision, speech generation, bioinformatics, and natural language processing are to be explored in this field. However, the diffusion model has its natural drawback of a slow generation process, leading to many enhanced works. This survey makes a summary of the field of the diffusion model. We firstly state the main problem with two landmark works - DDPM and DSM. Then, we present a diverse range of advanced techniques to speed up the diffusion models - training schedule, training-free sampling, mixed-modeling, and score & diffusion unification. Regarding existing models, we also provide a benchmark of FID score, IS, and NLL according to specific NFE. Moreover, applications with diffusion models are introduced including computer vision, sequence modeling, audio, and AI for science. Finally, there is a summarization of this field together with limitations & further directions.
Human-in-the-loop aims to train an accurate prediction model with minimum cost by integrating human knowledge and experience. Humans can provide training data for machine learning applications and directly accomplish some tasks that are hard for computers in the pipeline with the help of machine-based approaches. In this paper, we survey existing works on human-in-the-loop from a data perspective and classify them into three categories with a progressive relationship: (1) the work of improving model performance from data processing, (2) the work of improving model performance through interventional model training, and (3) the design of the system independent human-in-the-loop. Using the above categorization, we summarize major approaches in the field, along with their technical strengths/ weaknesses, we have simple classification and discussion in natural language processing, computer vision, and others. Besides, we provide some open challenges and opportunities. This survey intends to provide a high-level summarization for human-in-the-loop and motivates interested readers to consider approaches for designing effective human-in-the-loop solutions.
High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.
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