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For modern recommender systems, the use of low-dimensional latent representations to embed users and items based on their observed interactions has become commonplace. However, many existing recommendation models are primarily designed for coarse-grained and homogeneous interactions, which limits their effectiveness in two critical dimensions. Firstly, these models fail to leverage the relational dependencies that exist across different types of user behaviors, such as page views, collects, comments, and purchases. Secondly, they struggle to capture the fine-grained latent factors that drive user interaction patterns. To address these limitations, we present a heterogeneous graph collaborative filtering model MixRec that excels at disentangling users' multi-behavior interaction patterns and uncovering the latent intent factors behind each behavior. Our model achieves this by incorporating intent disentanglement and multi-behavior modeling, facilitated by a parameterized heterogeneous hypergraph architecture. Furthermore, we introduce a novel contrastive learning paradigm that adaptively explores the advantages of self-supervised data augmentation, thereby enhancing the model's resilience against data sparsity and expressiveness with relation heterogeneity. To validate the efficacy of MixRec, we conducted extensive experiments on three public datasets. The results clearly demonstrate its superior performance, significantly outperforming various state-of-the-art baselines. Our model is open-sourced and available at: //github.com/HKUDS/MixRec.

NREL's computational sciences center hosts the largest high performance computing (HPC) capabilities dedicated to sustainability research while functioning as a living laboratory for sustainable computing. NREL's HPC capabilities support the research needs of the Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). In ten years of operation, HPC use in EERE-sponsored sustainability research has grown by a factor of 30. This paper analyzes this research portfolio, providing examples of individual use cases. The paper documents NREL's history of operating one of the world's most sustainable data centers while examining pathways to improving sustainability beyond reduction of PUE. This paper concludes by examining the unique opportunities created for sustainable computing research created by combining an HPC system dedicated to sustainability research and a research program in sustainable computing.

Conditional independence (CI) testing is a fundamental task in modern statistics and machine learning. The conditional randomization test (CRT) was recently introduced to test whether two random variables, $X$ and $Y$, are conditionally independent given a potentially high-dimensional set of random variables, $Z$. The CRT operates exceptionally well under the assumption that the conditional distribution $X|Z$ is known. However, since this distribution is typically unknown in practice, accurately approximating it becomes crucial. In this paper, we propose using conditional diffusion models (CDMs) to learn the distribution of $X|Z$. Theoretically and empirically, it is shown that CDMs closely approximate the true conditional distribution. Furthermore, CDMs offer a more accurate approximation of $X|Z$ compared to GANs, potentially leading to a CRT that performs better than those based on GANs. To accommodate complex dependency structures, we utilize a computationally efficient classifier-based conditional mutual information (CMI) estimator as our test statistic. The proposed testing procedure performs effectively without requiring assumptions about specific distribution forms or feature dependencies, and is capable of handling mixed-type conditioning sets that include both continuous and discrete variables. Theoretical analysis shows that our proposed test achieves a valid control of the type I error. A series of experiments on synthetic data demonstrates that our new test effectively controls both type-I and type-II errors, even in high dimensional scenarios.

Mechanism design, a branch of economics, aims to design rules that can autonomously achieve desired outcomes in resource allocation and public decision making. The research on mechanism design using machine learning is called automated mechanism design or mechanism learning. In our research, we constructed a new network based on the existing method for single auctions and aimed to automatically design a mechanism by applying it to double auctions. In particular, we focused on the following four desirable properties for the mechanism: individual rationality, balanced budget, Pareto efficiency, and incentive compatibility. We conducted experiments assuming a small-scale double auction and clarified how deterministic the trade matching of the obtained mechanism is. We also confirmed how much the learnt mechanism satisfies the four properties compared to two representative protocols. As a result, we verified that the mechanism is more budget-balanced than the VCG protocol and more economically efficient than the MD protocol, with the incentive compatibility mostly guaranteed.

Network-based intrusion detection system (NIDS) monitors network traffic for malicious activities, forming the frontline defense against increasing attacks over information infrastructures. Although promising, our quantitative analysis shows that existing methods perform inconsistently in declaring various attacks, and perform poorly in few-shot intrusion detections. We reveal that the underlying cause is entangled distributions of flow features. This motivates us to propose DIDS-MFL, a disentangled intrusion detection method to handle various intrusion detection scenarios. DIDS-MFL involves two key components, respectively: a double Disentanglementbased Intrusion Detection System (DIDS) and a plug-and-play Multi-scale Few-shot Learning-based (MFL) intrusion detection module. Specifically, the proposed DIDS first disentangles traffic features by a non-parameterized optimization, automatically differentiating tens and hundreds of complex features of various attacks. Such differentiated features will be further disentangled to highlight the attack-specific features. Our DIDS additionally uses a novel graph diffusion method that dynamically fuses the network topology in evolving data streams. Furthermore, the proposed MFL involves an alternating optimization framework to address the entangled representations in few-shot traffic threats with rigorous derivation. MFL first captures multiscale information in latent space to distinguish attack-specific information and then optimizes the disentanglement term to highlight the attack-specific information. Finally, MFL fuses and alternately solves them in an end-to-end way. Experiments show the superiority of our proposed DIDS-MFL. Our code is available at //github.com/qcydm/DIDS-MFL

Disentangled Representation Learning (DRL) aims to learn a model capable of identifying and disentangling the underlying factors hidden in the observable data in representation form. The process of separating underlying factors of variation into variables with semantic meaning benefits in learning explainable representations of data, which imitates the meaningful understanding process of humans when observing an object or relation. As a general learning strategy, DRL has demonstrated its power in improving the model explainability, controlability, robustness, as well as generalization capacity in a wide range of scenarios such as computer vision, natural language processing, data mining etc. In this article, we comprehensively review DRL from various aspects including motivations, definitions, methodologies, evaluations, applications and model designs. We discuss works on DRL based on two well-recognized definitions, i.e., Intuitive Definition and Group Theory Definition. We further categorize the methodologies for DRL into four groups, i.e., Traditional Statistical Approaches, Variational Auto-encoder Based Approaches, Generative Adversarial Networks Based Approaches, Hierarchical Approaches and Other Approaches. We also analyze principles to design different DRL models that may benefit different tasks in practical applications. Finally, we point out challenges in DRL as well as potential research directions deserving future investigations. We believe this work may provide insights for promoting the DRL research in the community.

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.

We introduce an approach for deep reinforcement learning (RL) that improves upon the efficiency, generalization capacity, and interpretability of conventional approaches through structured perception and relational reasoning. It uses self-attention to iteratively reason about the relations between entities in a scene and to guide a model-free policy. Our results show that in a novel navigation and planning task called Box-World, our agent finds interpretable solutions that improve upon baselines in terms of sample complexity, ability to generalize to more complex scenes than experienced during training, and overall performance. In the StarCraft II Learning Environment, our agent achieves state-of-the-art performance on six mini-games -- surpassing human grandmaster performance on four. By considering architectural inductive biases, our work opens new directions for overcoming important, but stubborn, challenges in deep RL.

This paper proposes a method to modify traditional convolutional neural networks (CNNs) into interpretable CNNs, in order to clarify knowledge representations in high conv-layers of CNNs. In an interpretable CNN, each filter in a high conv-layer represents a certain object part. We do not need any annotations of object parts or textures to supervise the learning process. Instead, the interpretable CNN automatically assigns each filter in a high conv-layer with an object part during the learning process. Our method can be applied to different types of CNNs with different structures. The clear knowledge representation in an interpretable CNN can help people understand the logics inside a CNN, i.e., based on which patterns the CNN makes the decision. Experiments showed that filters in an interpretable CNN were more semantically meaningful than those in traditional CNNs.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.