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Counting (p,q)-bicliques in bipartite graphs poses a foundational challenge with broad applications, from densest subgraph discovery in algorithmic research to personalized content recommendation in practical scenarios. Despite its significance, current leading (p,q)-biclique counting algorithms fall short, particularly when faced with larger graph sizes and clique scales. Fortunately, the problem's inherent structure, allowing for the independent counting of each biclique starting from every vertex, combined with a substantial set intersections, makes it highly amenable to parallelization. Recent successes in GPU-accelerated algorithms across various domains motivate our exploration into harnessing the parallelism power of GPUs to efficiently address the (p,q)-biclique counting challenge. We introduce GBC (GPU-based Biclique Counting), a novel approach designed to enable efficient and scalable (p,q)-biclique counting on GPUs. To address major bottleneck arising from redundant comparisons in set intersections (occupying an average of 90% of the runtime), we introduce a novel data structure that hashes adjacency lists into truncated bitmaps to enable efficient set intersection on GPUs via bit-wise AND operations. Our innovative hybrid DFS-BFS exploration strategy further enhances thread utilization and effectively manages memory constraints. A composite load balancing strategy, integrating pre-runtime and runtime workload allocation, ensures equitable distribution among threads. Additionally, we employ vertex reordering and graph partitioning strategies for improved compactness and scalability. Experimental evaluations on eight real-life and two synthetic datasets demonstrate that GBC outperforms state-of-the-art algorithms by a substantial margin. In particular, GBC achieves an average speedup of 497.8x, with the largest instance achieving a remarkable 1217.7x speedup when p = q = 8.

We present Bayesian Diffusion Models (BDM), a prediction algorithm that performs effective Bayesian inference by tightly coupling the top-down (prior) information with the bottom-up (data-driven) procedure via joint diffusion processes. We show the effectiveness of BDM on the 3D shape reconstruction task. Compared to prototypical deep learning data-driven approaches trained on paired (supervised) data-labels (e.g. image-point clouds) datasets, our BDM brings in rich prior information from standalone labels (e.g. point clouds) to improve the bottom-up 3D reconstruction. As opposed to the standard Bayesian frameworks where explicit prior and likelihood are required for the inference, BDM performs seamless information fusion via coupled diffusion processes with learned gradient computation networks. The specialty of our BDM lies in its capability to engage the active and effective information exchange and fusion of the top-down and bottom-up processes where each itself is a diffusion process. We demonstrate state-of-the-art results on both synthetic and real-world benchmarks for 3D shape reconstruction.

The extended persistence diagram is an invariant of piecewise linear functions, which is known to be stable under perturbations of functions with respect to the bottleneck distance as introduced by Cohen-Steiner, Edelsbrunner, and Harer. We address the question of universality, which asks for the largest possible stable distance on extended persistence diagrams, showing that a more discriminative variant of the bottleneck distance is universal. Our result applies more generally to settings where persistence diagrams are considered only up to a certain degree. We achieve our results by establishing a functorial construction and several characteristic properties of relative interlevel set homology, which mirror the classical Eilenberg--Steenrod axioms. Finally, we contrast the bottleneck distance with the interleaving distance of sheaves on the real line by showing that the latter is not intrinsic, let alone universal. This particular result has the further implication that the interleaving distance of Reeb graphs is not intrinsic either.

We propose a new method for cloth digitalization. Deviating from existing methods which learn from data captured under relatively casual settings, we propose to learn from data captured in strictly tested measuring protocols, and find plausible physical parameters of the cloths. However, such data is currently absent, so we first propose a new dataset with accurate cloth measurements. Further, the data size is considerably smaller than the ones in current deep learning, due to the nature of the data capture process. To learn from small data, we propose a new Bayesian differentiable cloth model to estimate the complex material heterogeneity of real cloths. It can provide highly accurate digitalization from very limited data samples. Through exhaustive evaluation and comparison, we show our method is accurate in cloth digitalization, efficient in learning from limited data samples, and general in capturing material variations. Code and data are available //github.com/realcrane/Bayesian-Differentiable-Physics-for-Cloth-Digitalization

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.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.

This paper proposes a generic method to learn interpretable convolutional filters in a deep convolutional neural network (CNN) for object classification, where each interpretable filter encodes features of a specific object part. Our method does not require additional annotations of object parts or textures for supervision. Instead, we use the same training data as traditional CNNs. Our method automatically assigns each interpretable filter in a high conv-layer with an object part of a certain category during the learning process. Such explicit knowledge representations in conv-layers of CNN help people clarify the logic encoded in the CNN, i.e., answering what patterns the CNN extracts from an input image and uses for prediction. We have tested our method using different benchmark CNNs with various structures to demonstrate the broad applicability of our method. Experiments have shown that our interpretable filters are much more semantically meaningful than traditional filters.

Graphical causal inference as pioneered by Judea Pearl arose from research on artificial intelligence (AI), and for a long time had little connection to the field of machine learning. This article discusses where links have been and should be established, introducing key concepts along the way. It argues that the hard open problems of machine learning and AI are intrinsically related to causality, and explains how the field is beginning to understand them.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.