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Deep learning models, such as wide neural networks, can be conceptualized as nonlinear dynamical physical systems characterized by a multitude of interacting degrees of freedom. Such systems in the infinite limit, tend to exhibit simplified dynamics. This paper delves into gradient descent-based learning algorithms, that display a linear structure in their parameter dynamics, reminiscent of the neural tangent kernel. We establish this apparent linearity arises due to weak correlations between the first and higher-order derivatives of the hypothesis function, concerning the parameters, taken around their initial values. This insight suggests that these weak correlations could be the underlying reason for the observed linearization in such systems. As a case in point, we showcase this weak correlations structure within neural networks in the large width limit. Exploiting the relationship between linearity and weak correlations, we derive a bound on deviations from linearity observed during the training trajectory of stochastic gradient descent. To facilitate our proof, we introduce a novel method to characterise the asymptotic behavior of random tensors.

The ability to derive useful information by asking clarifying questions (ACQ) is an important element of real life collaboration on reasoning tasks, such as question answering (QA). Existing natural language ACQ challenges, however, evaluate generations based on word overlap rather than the value of the information itself. Word overlap is often an inappropriate metric for question generation since many different questions could be useful in a given situation, and a single question can be phrased many different ways. Instead, we propose evaluating questions pragmatically based on the value of the information they retrieve. Here we present a definition and framework for natural language pragmatic asking of clarifying questions (PACQ), the problem of generating questions that result in answers useful for a reasoning task. We also present fact-level masking (FLM), a procedure for converting natural language datasets into self-supervised PACQ datasets by omitting particular critical facts. Finally, we generate a PACQ dataset from the HotpotQA dataset using FLM and evaluate several zero-shot language models on it. Our experiments show that current zero-shot models struggle to ask questions that retrieve useful information, as compared to human annotators. These results demonstrate an opportunity to use FLM datasets and the PACQ framework to objectively evaluate and improve question generation and other language models.

Classical numerical schemes exist for solving PDEs numerically, and recently, neural network-based methods have been developed. However, methodologies using neural networks, such as PINN and neural operators, lack robustness and generalization power. To compensate for such drawbacks, there are many types of research combining classical numerical schemes and machine learning methods by replacing a small portion of the numerical schemes with neural networks. In this work, we focus on hyperbolic conservation laws and replace numerical fluxes in the numerical schemes by neural operator. For this, we construct losses that are motivated by numerical schemes for conservation laws and approximate numerical flux by FNO. Through experiments, we show that our methodology has advantages of both numerical schemes and FNO by comparing with original methods. For instance, we demonstrate our method gains robustness, resolution invariance property, and feasibility of a data-driven method. Our method especially has the ability to predict continuously in time and generalization power on the out-of-distribution samples, which are challenges to be tackled for existing neural operator methods.

Knowledge graph reasoning (KGR), aiming to deduce new facts from existing facts based on mined logic rules underlying knowledge graphs (KGs), has become a fast-growing research direction. It has been proven to significantly benefit the usage of KGs in many AI applications, such as question answering and recommendation systems, etc. According to the graph types, the existing KGR models can be roughly divided into three categories, \textit{i.e.,} static models, temporal models, and multi-modal models. The early works in this domain mainly focus on static KGR and tend to directly apply general knowledge graph embedding models to the reasoning task. However, these models are not suitable for more complex but practical tasks, such as inductive static KGR, temporal KGR, and multi-modal KGR. To this end, multiple works have been developed recently, but no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a survey for knowledge graph reasoning tracing from static to temporal and then to multi-modal KGs. Concretely, the preliminaries, summaries of KGR models, and typical datasets are introduced and discussed consequently. Moreover, we discuss the challenges and potential opportunities. The corresponding open-source repository is shared on GitHub: //github.com/LIANGKE23/Awesome-Knowledge-Graph-Reasoning.

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.

Designing and generating new data under targeted properties has been attracting various critical applications such as molecule design, image editing and speech synthesis. Traditional hand-crafted approaches heavily rely on expertise experience and intensive human efforts, yet still suffer from the insufficiency of scientific knowledge and low throughput to support effective and efficient data generation. Recently, the advancement of deep learning induces expressive methods that can learn the underlying representation and properties of data. Such capability provides new opportunities in figuring out the mutual relationship between the structural patterns and functional properties of the data and leveraging such relationship to generate structural data given the desired properties. This article provides a systematic review of this promising research area, commonly known as controllable deep data generation. Firstly, the potential challenges are raised and preliminaries are provided. Then the controllable deep data generation is formally defined, a taxonomy on various techniques is proposed and the evaluation metrics in this specific domain are summarized. After that, exciting applications of controllable deep data generation are introduced and existing works are experimentally analyzed and compared. Finally, the promising future directions of controllable deep data generation are highlighted and five potential challenges are identified.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.

The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.

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.