Score-based generative models are a popular class of generative modelling techniques relying on stochastic differential equations (SDE). From their inception, it was realized that it was also possible to perform generation using ordinary differential equations (ODE) rather than SDE. This led to the introduction of the probability flow ODE approach and denoising diffusion implicit models. Flow matching methods have recently further extended these ODE-based approaches and approximate a flow between two arbitrary probability distributions. Previous work derived bounds on the approximation error of diffusion models under the stochastic sampling regime, given assumptions on the $L^2$ loss. We present error bounds for the flow matching procedure using fully deterministic sampling, assuming an $L^2$ bound on the approximation error and a certain regularity condition on the data distributions.
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We study differentially private (DP) algorithms for recovering clusters in well-clustered graphs, which are graphs whose vertex set can be partitioned into a small number of sets, each inducing a subgraph of high inner conductance and small outer conductance. Such graphs have widespread application as a benchmark in the theoretical analysis of spectral clustering. We provide an efficient ($\epsilon$,$\delta$)-DP algorithm tailored specifically for such graphs. Our algorithm draws inspiration from the recent work of Chen et al., who developed DP algorithms for recovery of stochastic block models in cases where the graph comprises exactly two nearly-balanced clusters. Our algorithm works for well-clustered graphs with $k$ nearly-balanced clusters, and the misclassification ratio almost matches the one of the best-known non-private algorithms. We conduct experimental evaluations on datasets with known ground truth clusters to substantiate the prowess of our algorithm. We also show that any (pure) $\epsilon$-DP algorithm would result in substantial error.
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.
The interactive theorem prover, Lean, enables the verification of formal mathematical proofs and is backed by an expanding community. Central to this ecosystem is its mathematical library, mathlib4, which lays the groundwork for the formalization of an expanding range of mathematical theories. However, searching for theorems in mathlib4 can be challenging. To successfully search in mathlib4, users often need to be familiar with its naming conventions or documentation strings. Therefore, creating a semantic search engine that can be used easily by individuals with varying familiarity with mathlib4 is very important. In this paper, we present a semantic search engine for mathlib4 that accepts informal queries and finds the relevant theorems. We also establish a benchmark for assessing the performance of various search engines for mathlib4.
For decades, aspects of the topological architecture, and of the mechanical as well as other physical behaviors of periodic lattice truss materials (PLTMs) have been massively studied. Their approximate infinite design space presents a double-edged sword, implying on one hand dramatic designability in fulfilling the requirement of various performance, but on the other hand unexpected intractability in determining the best candidate with tailoring properties. In recent years, the development of additive manufacturing and artificial intelligence spurs an explosion in the methods exploring the design space and searching its boundaries. However, regrettably, a normative description with sufficient information of PLTMs applying to machine learning has not yet been constructed, which confines the inverse design to some discrete and small scrutinized space. In the current paper, we develop a system of canonical descriptors for PLTMs, encoding not only the geometrical configurations but also mechanical properties into matrix forms to establish good quantitative correlations between structures and mechanical behaviors. The system mainly consists of the geometry matrix for the lattice node configuration, density, stretching and bending stiffness matrices for the lattice strut properties, as well as packing matrix for the principal periodic orientation. All these matrices are theoretically derived based on the intrinsic nature of PLTMs, leading to concise descriptions and sufficient information. The characteristics, including the completeness and uniqueness, of the descriptors are analyzed. In addition, we discuss how the current system of descriptors can be applied to the database construction and material discovery, and indicate the possible open problems.
Software engineering is a domain characterized by intricate decision-making processes, often relying on nuanced intuition and consultation. Recent advancements in deep learning have started to revolutionize software engineering practices through elaborate designs implemented at various stages of software development. In this paper, we present an innovative paradigm that leverages large language models (LLMs) throughout the entire software development process, streamlining and unifying key processes through natural language communication, thereby eliminating the need for specialized models at each phase. At the core of this paradigm lies ChatDev, a virtual chat-powered software development company that mirrors the established waterfall model, meticulously dividing the development process into four distinct chronological stages: designing, coding, testing, and documenting. Each stage engages a team of agents, such as programmers, code reviewers, and test engineers, fostering collaborative dialogue and facilitating a seamless workflow. The chat chain acts as a facilitator, breaking down each stage into atomic subtasks. This enables dual roles, allowing for proposing and validating solutions through context-aware communication, leading to efficient resolution of specific subtasks. The instrumental analysis of ChatDev highlights its remarkable efficacy in software generation, enabling the completion of the entire software development process in under seven minutes at a cost of less than one dollar. It not only identifies and alleviates potential vulnerabilities but also rectifies potential hallucinations while maintaining commendable efficiency and cost-effectiveness. The potential of ChatDev unveils fresh possibilities for integrating LLMs into the realm of software development.
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.
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.
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.
We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.
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