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Bayesian probabilistic numerical methods for numerical integration offer significant advantages over their non-Bayesian counterparts: they can encode prior information about the integrand, and can quantify uncertainty over estimates of an integral. However, the most popular algorithm in this class, Bayesian quadrature, is based on Gaussian process models and is therefore associated with a high computational cost. To improve scalability, we propose an alternative approach based on Bayesian neural networks which we call Bayesian Stein networks. The key ingredients are a neural network architecture based on Stein operators, and an approximation of the Bayesian posterior based on the Laplace approximation. We show that this leads to orders of magnitude speed-ups on the popular Genz functions benchmark, and on challenging problems arising in the Bayesian analysis of dynamical systems, and the prediction of energy production for a large-scale wind farm.

Knowledge graphs play a vital role in numerous artificial intelligence tasks, yet they frequently face the issue of incompleteness. In this study, we explore utilizing Large Language Models (LLM) for knowledge graph completion. We consider triples in knowledge graphs as text sequences and introduce an innovative framework called Knowledge Graph LLM (KG-LLM) to model these triples. Our technique employs entity and relation descriptions of a triple as prompts and utilizes the response for predictions. Experiments on various benchmark knowledge graphs demonstrate that our method attains state-of-the-art performance in tasks such as triple classification and relation prediction. We also find that fine-tuning relatively smaller models (e.g., LLaMA-7B, ChatGLM-6B) outperforms recent ChatGPT and GPT-4.

Refractive Index Tomography is an inverse problem in which we seek to reconstruct a scene's 3D refractive field from 2D projected image measurements. The refractive field is not visible itself, but instead affects how the path of a light ray is continuously curved as it travels through space. Refractive fields appear across a wide variety of scientific applications, from translucent cell samples in microscopy to fields of dark matter bending light from faraway galaxies. This problem poses a unique challenge because the refractive field directly affects the path that light takes, making its recovery a non-linear problem. In addition, in contrast with traditional tomography, we seek to recover the refractive field using a projected image from only a single viewpoint by leveraging knowledge of light sources scattered throughout the medium. In this work, we introduce a method that uses a coordinate-based neural network to model the underlying continuous refractive field in a scene. We then use explicit modeling of rays' 3D spatial curvature to optimize the parameters of this network, reconstructing refractive fields with an analysis-by-synthesis approach. The efficacy of our approach is demonstrated by recovering refractive fields in simulation, and analyzing how recovery is affected by the light source distribution. We then test our method on a simulated dark matter mapping problem, where we recover the refractive field underlying a realistic simulated dark matter distribution.

Since the origins of the Internet, various vulnerabilities exploiting the IP fragmentation process have plagued IPv4 protocol, many leading to a wide range of attacks. IPv6 modified the handling of fragmentations and introduced a specific extension header, not solving the related problems, as proved by extensive literature. One of the primary sources of problems has been the overlapping fragments, which result in unexpected or malicious packets when reassembled. To overcome the problem related to fragmentation, the authors of RFC 5722 decided that IPv6 hosts MUST silently drop overlapping fragments. Since then, several studies have proposed methodologies to check if IPv6 hosts accept overlapping fragments and are still vulnerable to related attacks. However, some of the above methodologies have not been proven complete or need to be more accurate. In this paper we propose a novel model to check IPv6 fragmentation handling specifically suited for the reassembling strategies of modern operating systems. Previous models, indeed, considered OS reassembly policy as byte-based. However, nowadays, reassembly policies are fragment-based, making previous models inadequate. Our model leverages the commutative property of the checksum, simplifying the whole assessing process. Starting with this new model, we were able to better evaluate the RFC-5722 and RFC-9099 compliance of modern operating systems against fragmentation handling. Our results suggest that IPv6 fragmentation can still be considered a threat and that more effort is needed to solve related security issues.

With the advent of powerful quantum computers, the quest for more efficient quantum algorithms becomes crucial in attaining quantum supremacy over classical counterparts in the noisy intermediate-scale quantum era. While Grover's search algorithm and its generalization, quantum amplitude amplification, offer quadratic speedup in solving various important scientific problems, their exponential time complexity limits scalability as the quantum circuit depths grow exponentially with the number of qubits. To overcome this challenge, we propose Variational Quantum Search (VQS), a novel algorithm based on variational quantum algorithms and parameterized quantum circuits. We show that a depth-10 Ansatz can amplify the total probability of $k$ ($k \geq 1$) good elements, out of $2^n$ elements represented by $n$+1 qubits, from $k/2^n$ to nearly 1, as verified for $n$ up to 26, and that the maximum depth of quantum circuits in the VQS increases linearly with the number of qubits. Our experimental results have validated the efficacy of VQS and its exponential advantage over Grover's algorithm in circuit depth for up to 26 qubits. We demonstrate that a depth-56 circuit in VQS can replace a depth-270,989 circuit in Grover's algorithm. Envisioning its potential, VQS holds promise to accelerate solutions to critical problems.

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.

Aspect based sentiment analysis (ABSA) can provide more detailed information than general sentiment analysis, because it aims to predict the sentiment polarities of the given aspects or entities in text. We summarize previous approaches into two subtasks: aspect-category sentiment analysis (ACSA) and aspect-term sentiment analysis (ATSA). Most previous approaches employ long short-term memory and attention mechanisms to predict the sentiment polarity of the concerned targets, which are often complicated and need more training time. We propose a model based on convolutional neural networks and gating mechanisms, which is more accurate and efficient. First, the novel Gated Tanh-ReLU Units can selectively output the sentiment features according to the given aspect or entity. The architecture is much simpler than attention layer used in the existing models. Second, the computations of our model could be easily parallelized during training, because convolutional layers do not have time dependency as in LSTM layers, and gating units also work independently. The experiments on SemEval datasets demonstrate the efficiency and effectiveness of our models.

We investigate the problem of automatically determining what type of shoe left an impression found at a crime scene. This recognition problem is made difficult by the variability in types of crime scene evidence (ranging from traces of dust or oil on hard surfaces to impressions made in soil) and the lack of comprehensive databases of shoe outsole tread patterns. We find that mid-level features extracted by pre-trained convolutional neural nets are surprisingly effective descriptors for this specialized domains. However, the choice of similarity measure for matching exemplars to a query image is essential to good performance. For matching multi-channel deep features, we propose the use of multi-channel normalized cross-correlation and analyze its effectiveness. Our proposed metric significantly improves performance in matching crime scene shoeprints to laboratory test impressions. We also show its effectiveness in other cross-domain image retrieval problems: matching facade images to segmentation labels and aerial photos to map images. Finally, we introduce a discriminatively trained variant and fine-tune our system through our proposed metric, obtaining state-of-the-art performance.

Recommender System (RS) is a hot area where artificial intelligence (AI) techniques can be effectively applied to improve performance. Since the well-known Netflix Challenge, collaborative filtering (CF) has become the most popular and effective recommendation method. Despite their success in CF, various AI techniques still have to face the data sparsity and cold start problems. Previous works tried to solve these two problems by utilizing auxiliary information, such as social connections among users and meta-data of items. However, they process different types of information separately, leading to information loss. In this work, we propose to utilize Heterogeneous Information Network (HIN), which is a natural and general representation of different types of data, to enhance CF-based recommending methods. HIN-based recommender systems face two problems: how to represent high-level semantics for recommendation and how to fuse the heterogeneous information to recommend. To address these problems, we propose to applying meta-graph to HIN-based RS and solve the information fusion problem with a "matrix factorization (MF) + factorization machine (FM)" framework. For the "MF" part, we obtain user-item similarity matrices from each meta-graph and adopt low-rank matrix approximation to get latent features for both users and items. For the "FM" part, we propose to apply FM with Group lasso (FMG) on the obtained features to simultaneously predict missing ratings and select useful meta-graphs. Experimental results on two large real-world datasets, i.e., Amazon and Yelp, show that our proposed approach is better than that of the state-of-the-art FM and other HIN-based recommending methods.