Generalized Category Discovery (GCD) is a crucial task that aims to recognize both known and novel categories from a set of unlabeled data by utilizing a few labeled data with only known categories. Due to the lack of supervision and category information, current methods usually perform poorly on novel categories and struggle to reveal semantic meanings of the discovered clusters, which limits their applications in the real world. To mitigate the above issues, we propose Loop, an end-to-end active-learning framework that introduces Large Language Models (LLMs) into the training loop, which can boost model performance and generate category names without relying on any human efforts. Specifically, we first propose Local Inconsistent Sampling (LIS) to select samples that have a higher probability of falling to wrong clusters, based on neighborhood prediction consistency and entropy of cluster assignment probabilities. Then we propose a Scalable Query strategy to allow LLMs to choose true neighbors of the selected samples from multiple candidate samples. Based on the feedback from LLMs, we perform Refined Neighborhood Contrastive Learning (RNCL) to pull samples and their neighbors closer to learn clustering-friendly representations. Finally, we select representative samples from clusters corresponding to novel categories to allow LLMs to generate category names for them. Extensive experiments on three benchmark datasets show that Loop outperforms SOTA models by a large margin and generates accurate category names for the discovered clusters. Code and data are available at //github.com/Lackel/LOOP.
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Knowledge Graphs (KGs) are fundamental resources in knowledge-intensive tasks in NLP. Due to the limitation of manually creating KGs, KG Completion (KGC) has an important role in automatically completing KGs by scoring their links with KG Embedding (KGE). To handle many entities in training, KGE relies on Negative Sampling (NS) loss that can reduce the computational cost by sampling. Since the appearance frequencies for each link are at most one in KGs, sparsity is an essential and inevitable problem. The NS loss is no exception. As a solution, the NS loss in KGE relies on smoothing methods like Self-Adversarial Negative Sampling (SANS) and subsampling. However, it is uncertain what kind of smoothing method is suitable for this purpose due to the lack of theoretical understanding. This paper provides theoretical interpretations of the smoothing methods for the NS loss in KGE and induces a new NS loss, Triplet Adaptive Negative Sampling (TANS), that can cover the characteristics of the conventional smoothing methods. Experimental results of TransE, DistMult, ComplEx, RotatE, HAKE, and HousE on FB15k-237, WN18RR, and YAGO3-10 datasets and their sparser subsets show the soundness of our interpretation and performance improvement by our TANS.
Solving the Traveling Salesperson Problem (TSP) remains a persistent challenge, despite its fundamental role in numerous generalized applications in modern contexts. Heuristic solvers address the demand for finding high-quality solutions efficiently. Among these solvers, the Lin-Kernighan-Helsgaun (LKH) heuristic stands out, as it complements the performance of genetic algorithms across a diverse range of problem instances. However, frequent timeouts on challenging instances hinder the practical applicability of the solver. Within this work, we investigate a previously overlooked factor contributing to many timeouts: The use of a fixed candidate set based on a tree structure. Our investigations reveal that candidate sets based on Hamiltonian circuits contain more optimal edges. We thus propose to integrate this promising initialization strategy, in the form of POPMUSIC, within an efficient restart version of LKH. As confirmed by our experimental studies, this refined TSP heuristic is much more efficient - causing fewer timeouts and improving the performance (in terms of penalized average runtime) by an order of magnitude - and thereby challenges the state of the art in TSP solving.
Explainable Artificial Intelligence (XAI) has become a widely discussed topic, the related technologies facilitate better understanding of conventional black-box models like Random Forest, Neural Networks and etc. However, domain-specific applications of XAI are still insufficient. To fill this gap, this research analyzes various machine learning models to the tasks of binary and multi-class classification for intrusion detection from network traffic on the same dataset using occlusion sensitivity. The models evaluated include Linear Regression, Logistic Regression, Linear Support Vector Machine (SVM), K-Nearest Neighbors (KNN), Random Forest, Decision Trees, and Multi-Layer Perceptrons (MLP). We trained all models to the accuracy of 90\% on the UNSW-NB15 Dataset. We found that most classifiers leverage only less than three critical features to achieve such accuracies, indicating that effective feature engineering could actually be far more important for intrusion detection than applying complicated models. We also discover that Random Forest provides the best performance in terms of accuracy, time efficiency and robustness. Data and code available at //github.com/pcwhy/XML-IntrusionDetection.git
We perform the first adversarial robustness study into Graph Neural Networks (GNNs) that are provably more powerful than traditional Message Passing Neural Networks (MPNNs). In particular, we use adversarial robustness as a tool to uncover a significant gap between their theoretically possible and empirically achieved expressive power. To do so, we focus on the ability of GNNs to count specific subgraph patterns, which is an established measure of expressivity, and extend the concept of adversarial robustness to this task. Based on this, we develop efficient adversarial attacks for subgraph counting and show that more powerful GNNs fail to generalize even to small perturbations to the graph's structure. Expanding on this, we show that such architectures also fail to count substructures on out-of-distribution graphs.
This paper tackles the challenging problem of output range estimation for Deep Neural Networks (DNNs), introducing a novel algorithm based on Simulated Annealing (SA). Our approach addresses the lack of local geometric information and high non-linearity in DNNs, making it versatile across various architectures, especially Residual Neural Networks (ResNets). We present a straightforward, implementation-friendly algorithm that avoids restrictive assumptions about network architecture. Through theoretical analysis and experimental evaluations, including tests on the Ackley function, we demonstrate our algorithm's effectiveness in navigating complex, non-convex surfaces and accurately estimating DNN output ranges. Futhermore, the Python codes of this experimental evaluation that support our results are available in our GitHub repository (//github.com/Nicerova7/output-range-analysis-for-deep-neural-networks-with-simulated-annealing).
In this paper, we propose a novel Feature Decomposition and Reconstruction Learning (FDRL) method for effective facial expression recognition. We view the expression information as the combination of the shared information (expression similarities) across different expressions and the unique information (expression-specific variations) for each expression. More specifically, FDRL mainly consists of two crucial networks: a Feature Decomposition Network (FDN) and a Feature Reconstruction Network (FRN). In particular, FDN first decomposes the basic features extracted from a backbone network into a set of facial action-aware latent features to model expression similarities. Then, FRN captures the intra-feature and inter-feature relationships for latent features to characterize expression-specific variations, and reconstructs the expression feature. To this end, two modules including an intra-feature relation modeling module and an inter-feature relation modeling module are developed in FRN. Experimental results on both the in-the-lab databases (including CK+, MMI, and Oulu-CASIA) and the in-the-wild databases (including RAF-DB and SFEW) show that the proposed FDRL method consistently achieves higher recognition accuracy than several state-of-the-art methods. This clearly highlights the benefit of feature decomposition and reconstruction for classifying expressions.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
Translational distance-based knowledge graph embedding has shown progressive improvements on the link prediction task, from TransE to the latest state-of-the-art RotatE. However, N-1, 1-N and N-N predictions still remain challenging. In this work, we propose a novel translational distance-based approach for knowledge graph link prediction. The proposed method includes two-folds, first we extend the RotatE from 2D complex domain to high dimension space with orthogonal transforms to model relations for better modeling capacity. Second, the graph context is explicitly modeled via two directed context representations. These context representations are used as part of the distance scoring function to measure the plausibility of the triples during training and inference. The proposed approach effectively improves prediction accuracy on the difficult N-1, 1-N and N-N cases for knowledge graph link prediction task. The experimental results show that it achieves better performance on two benchmark data sets compared to the baseline RotatE, especially on data set (FB15k-237) with many high in-degree connection nodes.
We propose a novel method for automatic reasoning on knowledge graphs based on debate dynamics. The main idea is to frame the task of triple classification as a debate game between two reinforcement learning agents which extract arguments -- paths in the knowledge graph -- with the goal to promote the fact being true (thesis) or the fact being false (antithesis), respectively. Based on these arguments, a binary classifier, called the judge, decides whether the fact is true or false. The two agents can be considered as sparse, adversarial feature generators that present interpretable evidence for either the thesis or the antithesis. In contrast to other black-box methods, the arguments allow users to get an understanding of the decision of the judge. Since the focus of this work is to create an explainable method that maintains a competitive predictive accuracy, we benchmark our method on the triple classification and link prediction task. Thereby, we find that our method outperforms several baselines on the benchmark datasets FB15k-237, WN18RR, and Hetionet. We also conduct a survey and find that the extracted arguments are informative for users.
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.
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