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The fractal dimension of a surface allows its degree of roughness to be characterized quantitatively. However, limited effort is attempted to calculate the fractal dimension of surfaces computed from precisely known atomic coordinates from computational biomolecular and nanomaterial studies. This work proposes methods to estimate the fractal dimension of the surface of any 3D object composed of spheres, by representing the surface as either a voxelized point cloud or a mathematically exact surface, and computing its box-counting dimension. Sphractal is published as a Python package that provides these functionalities, and its utility is demonstrated on a set of simulated palladium nanoparticle data.

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 Surface 是微軟公司( )旗下一系列使用 Windows 10(早期為 Windows 8.X)操作系統的電腦產品,目前有 Surface、Surface Pro 和 Surface Book 三個系列。 2012 年 6 月 18 日,初代 Surface Pro/RT 由時任微軟 CEO 史蒂夫·鮑爾默發布于在洛杉磯舉行的記者會,2012 年 10 月 26 日上市銷售。

Big models have achieved revolutionary breakthroughs in the field of AI, but they might also pose potential concerns. Addressing such concerns, alignment technologies were introduced to make these models conform to human preferences and values. Despite considerable advancements in the past year, various challenges lie in establishing the optimal alignment strategy, such as data cost and scalable oversight, and how to align remains an open question. In this survey paper, we comprehensively investigate value alignment approaches. We first unpack the historical context of alignment tracing back to the 1920s (where it comes from), then delve into the mathematical essence of alignment (what it is), shedding light on the inherent challenges. Following this foundation, we provide a detailed examination of existing alignment methods, which fall into three categories: Reinforcement Learning, Supervised Fine-Tuning, and In-context Learning, and demonstrate their intrinsic connections, strengths, and limitations, helping readers better understand this research area. In addition, two emerging topics, personal alignment, and multimodal alignment, are also discussed as novel frontiers in this field. Looking forward, we discuss potential alignment paradigms and how they could handle remaining challenges, prospecting where future alignment will go.

Connecting text and visual modalities plays an essential role in generative intelligence. For this reason, inspired by the success of large language models, significant research efforts are being devoted to the development of Multimodal Large Language Models (MLLMs). These models can seamlessly integrate visual and textual modalities, both as input and output, while providing a dialogue-based interface and instruction-following capabilities. In this paper, we provide a comprehensive review of recent visual-based MLLMs, analyzing their architectural choices, multimodal alignment strategies, and training techniques. We also conduct a detailed analysis of these models across a wide range of tasks, including visual grounding, image generation and editing, visual understanding, and domain-specific applications. Additionally, we compile and describe training datasets and evaluation benchmarks, conducting comparisons among existing models in terms of performance and computational requirements. Overall, this survey offers a comprehensive overview of the current state of the art, laying the groundwork for future MLLMs.

Ensuring alignment, which refers to making models behave in accordance with human intentions [1,2], has become a critical task before deploying large language models (LLMs) in real-world applications. For instance, OpenAI devoted six months to iteratively aligning GPT-4 before its release [3]. However, a major challenge faced by practitioners is the lack of clear guidance on evaluating whether LLM outputs align with social norms, values, and regulations. This obstacle hinders systematic iteration and deployment of LLMs. To address this issue, this paper presents a comprehensive survey of key dimensions that are crucial to consider when assessing LLM trustworthiness. The survey covers seven major categories of LLM trustworthiness: reliability, safety, fairness, resistance to misuse, explainability and reasoning, adherence to social norms, and robustness. Each major category is further divided into several sub-categories, resulting in a total of 29 sub-categories. Additionally, a subset of 8 sub-categories is selected for further investigation, where corresponding measurement studies are designed and conducted on several widely-used LLMs. The measurement results indicate that, in general, more aligned models tend to perform better in terms of overall trustworthiness. However, the effectiveness of alignment varies across the different trustworthiness categories considered. This highlights the importance of conducting more fine-grained analyses, testing, and making continuous improvements on LLM alignment. By shedding light on these key dimensions of LLM trustworthiness, this paper aims to provide valuable insights and guidance to practitioners in the field. Understanding and addressing these concerns will be crucial in achieving reliable and ethically sound deployment of LLMs in various applications.

Graph clustering, which aims to divide the nodes in the graph into several distinct clusters, is a fundamental and challenging task. In recent years, deep graph clustering methods have been increasingly proposed and achieved promising performance. However, the corresponding survey paper is scarce and it is imminent to make a summary in this field. From this motivation, this paper makes the first comprehensive survey of deep graph clustering. Firstly, the detailed definition of deep graph clustering and the important baseline methods are introduced. Besides, the taxonomy of deep graph clustering methods is proposed based on four different criteria including graph type, network architecture, learning paradigm, and clustering method. In addition, through the careful analysis of the existing works, the challenges and opportunities from five perspectives are summarized. At last, the applications of deep graph clustering in four domains are presented. It is worth mentioning that a collection of state-of-the-art deep graph clustering methods including papers, codes, and datasets is available on GitHub. We hope this work will serve as a quick guide and help researchers to overcome challenges in this vibrant field.

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.

Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.

Large knowledge graphs often grow to store temporal facts that model the dynamic relations or interactions of entities along the timeline. Since such temporal knowledge graphs often suffer from incompleteness, it is important to develop time-aware representation learning models that help to infer the missing temporal facts. While the temporal facts are typically evolving, it is observed that many facts often show a repeated pattern along the timeline, such as economic crises and diplomatic activities. This observation indicates that a model could potentially learn much from the known facts appeared in history. To this end, we propose a new representation learning model for temporal knowledge graphs, namely CyGNet, based on a novel timeaware copy-generation mechanism. CyGNet is not only able to predict future facts from the whole entity vocabulary, but also capable of identifying facts with repetition and accordingly predicting such future facts with reference to the known facts in the past. We evaluate the proposed method on the knowledge graph completion task using five benchmark datasets. Extensive experiments demonstrate the effectiveness of CyGNet for predicting future facts with repetition as well as de novo fact prediction.

Answering questions that require reading texts in an image is challenging for current models. One key difficulty of this task is that rare, polysemous, and ambiguous words frequently appear in images, e.g., names of places, products, and sports teams. To overcome this difficulty, only resorting to pre-trained word embedding models is far from enough. A desired model should utilize the rich information in multiple modalities of the image to help understand the meaning of scene texts, e.g., the prominent text on a bottle is most likely to be the brand. Following this idea, we propose a novel VQA approach, Multi-Modal Graph Neural Network (MM-GNN). It first represents an image as a graph consisting of three sub-graphs, depicting visual, semantic, and numeric modalities respectively. Then, we introduce three aggregators which guide the message passing from one graph to another to utilize the contexts in various modalities, so as to refine the features of nodes. The updated nodes have better features for the downstream question answering module. Experimental evaluations show that our MM-GNN represents the scene texts better and obviously facilitates the performances on two VQA tasks that require reading scene texts.

Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.

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.

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