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Knowledge graphs (KGs) have become vitally important in modern recommender systems, effectively improving performance and interpretability. Fundamentally, recommender systems aim to identify user interests based on historical interactions and recommend suitable items. However, existing works overlook two key challenges: (1) an interest corresponds to a potentially large set of related items, and (2) the lack of explicit, fine-grained exploitation of KG information and interest connectivity. This leads to an inability to reflect distinctions between entities and interests when modeling them in a single way. Additionally, the granularity of concepts in the knowledge graphs used for recommendations tends to be coarse, failing to match the fine-grained nature of user interests. This homogenization limits the precise exploitation of knowledge graph data and interest connectivity. To address these limitations, we introduce a novel embedding-based model called InBox. Specifically, various knowledge graph entities and relations are embedded as points or boxes, while user interests are modeled as boxes encompassing interaction history. Representing interests as boxes enables containing collections of item points related to that interest. We further propose that an interest comprises diverse basic concepts, and box intersection naturally supports concept combination. Across three training steps, InBox significantly outperforms state-of-the-art methods like HAKG and KGIN on recommendation tasks. Further analysis provides meaningful insights into the variable value of different KG data for recommendations. In summary, InBox advances recommender systems through box-based interest and concept modeling for sophisticated knowledge graph exploitation.

Difficulties in replication and reproducibility of empirical evidences in machine learning research have become a prominent topic in recent years. Ensuring that machine learning research results are sound and reliable requires reproducibility, which verifies the reliability of research findings using the same code and data. This promotes open and accessible research, robust experimental workflows, and the rapid integration of new findings. Evaluating the degree to which research publications support these different aspects of reproducibility is one goal of the present work. For this we introduce an ontology of reproducibility in machine learning and apply it to methods for graph neural networks. Building on these efforts we turn towards another critical challenge in machine learning, namely the curse of dimensionality, which poses challenges in data collection, representation, and analysis, making it harder to find representative data and impeding the training and inference processes. Using the closely linked concept of geometric intrinsic dimension we investigate to which extend the used machine learning models are influenced by the intrinsic dimension of the data sets they are trained on.

Despite the remarkable success of graph neural networks (GNNs) in modeling graph-structured data, like other machine learning models, GNNs are also susceptible to making biased predictions based on sensitive attributes, such as race and gender. For fairness consideration, recent state-of-the-art (SOTA) methods propose to filter out sensitive information from inputs or representations, e.g., edge dropping or feature masking. However, we argue that such filtering-based strategies may also filter out some non-sensitive feature information, leading to a sub-optimal trade-off between predictive performance and fairness. To address this issue, we unveil an innovative neutralization-based paradigm, where additional Fairness-facilitating Features (F3) are incorporated into node features or representations before message passing. The F3 are expected to statistically neutralize the sensitive bias in node representations and provide additional nonsensitive information. We also provide theoretical explanations for our rationale, concluding that F3 can be realized by emphasizing the features of each node's heterogeneous neighbors (neighbors with different sensitive attributes). We name our method as FairSIN, and present three implementation variants from both data-centric and model-centric perspectives. Experimental results on five benchmark datasets with three different GNN backbones show that FairSIN significantly improves fairness metrics while maintaining high prediction accuracies.

Conditional diffusion models serve as the foundation of modern image synthesis and find extensive application in fields like computational biology and reinforcement learning. In these applications, conditional diffusion models incorporate various conditional information, such as prompt input, to guide the sample generation towards desired properties. Despite the empirical success, theory of conditional diffusion models is largely missing. This paper bridges this gap by presenting a sharp statistical theory of distribution estimation using conditional diffusion models. Our analysis yields a sample complexity bound that adapts to the smoothness of the data distribution and matches the minimax lower bound. The key to our theoretical development lies in an approximation result for the conditional score function, which relies on a novel diffused Taylor approximation technique. Moreover, we demonstrate the utility of our statistical theory in elucidating the performance of conditional diffusion models across diverse applications, including model-based transition kernel estimation in reinforcement learning, solving inverse problems, and reward conditioned sample generation.

Addressing the large distribution gap between training and testing data has long been a challenge in machine learning, giving rise to fields such as transfer learning and domain adaptation. Recently, Continuous Domain Adaptation (CDA) has emerged as an effective technique, closing this gap by utilizing a series of intermediate domains. This paper contributes a novel CDA method, W-MPOT, which rigorously addresses the domain ordering and error accumulation problems overlooked by previous studies. Specifically, we construct a transfer curriculum over the source and intermediate domains based on Wasserstein distance, motivated by theoretical analysis of CDA. Then we transfer the source model to the target domain through multiple valid paths in the curriculum using a modified version of continuous optimal transport. A bidirectional path consistency constraint is introduced to mitigate the impact of accumulated mapping errors during continuous transfer. We extensively evaluate W-MPOT on multiple datasets, achieving up to 54.1\% accuracy improvement on multi-session Alzheimer MR image classification and 94.7\% MSE reduction on battery capacity estimation.

Time series anomaly detection has applications in a wide range of research fields and applications, including manufacturing and healthcare. The presence of anomalies can indicate novel or unexpected events, such as production faults, system defects, or heart fluttering, and is therefore of particular interest. The large size and complex patterns of time series have led researchers to develop specialised deep learning models for detecting anomalous patterns. This survey focuses on providing structured and comprehensive state-of-the-art time series anomaly detection models through the use of deep learning. It providing a taxonomy based on the factors that divide anomaly detection models into different categories. Aside from describing the basic anomaly detection technique for each category, the advantages and limitations are also discussed. Furthermore, this study includes examples of deep anomaly detection in time series across various application domains in recent years. It finally summarises open issues in research and challenges faced while adopting deep anomaly detection models.

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.

As a scene graph compactly summarizes the high-level content of an image in a structured and symbolic manner, the similarity between scene graphs of two images reflects the relevance of their contents. Based on this idea, we propose a novel approach for image-to-image retrieval using scene graph similarity measured by graph neural networks. In our approach, graph neural networks are trained to predict the proxy image relevance measure, computed from human-annotated captions using a pre-trained sentence similarity model. We collect and publish the dataset for image relevance measured by human annotators to evaluate retrieval algorithms. The collected dataset shows that our method agrees well with the human perception of image similarity than other competitive baselines.

For deploying a deep learning model into production, it needs to be both accurate and compact to meet the latency and memory constraints. This usually results in a network that is deep (to ensure performance) and yet thin (to improve computational efficiency). In this paper, we propose an efficient method to train a deep thin network with a theoretic guarantee. Our method is motivated by model compression. It consists of three stages. In the first stage, we sufficiently widen the deep thin network and train it until convergence. In the second stage, we use this well-trained deep wide network to warm up (or initialize) the original deep thin network. This is achieved by letting the thin network imitate the immediate outputs of the wide network from layer to layer. In the last stage, we further fine tune this well initialized deep thin network. The theoretical guarantee is established by using mean field analysis, which shows the advantage of layerwise imitation over traditional training deep thin networks from scratch by backpropagation. We also conduct large-scale empirical experiments to validate our approach. By training with our method, ResNet50 can outperform ResNet101, and BERT_BASE can be comparable with BERT_LARGE, where both the latter models are trained via the standard training procedures as in the literature.

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with an arbitrary depth. Although the primitive graph neural networks have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.