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Ordered sequences of data, specified with a join operation to combine sequences, serve as a foundation for the implementation of parallel functional algorithms. This abstract data type can be elegantly and efficiently implemented using balanced binary trees, where a join operation is provided to combine two trees and rebalance as necessary. In this work, we present a verified implementation and cost analysis of joinable red-black trees in $\textbf{calf}$, a dependent type theory for cost analysis. We implement red-black trees and auxiliary intermediate data structures in such a way that all correctness invariants are intrinsically maintained. Then, we describe and verify precise cost bounds on the operations, making use of the red-black tree invariants. Finally, we implement standard algorithms on sequences using the simple join-based signature and bound their cost in the case that red-black trees are used as the underlying implementation. All proofs are formally mechanized using the embedding of $\textbf{calf}$ in the Agda theorem prover.

We propose a new score-based model with one-step sampling. Previously, score-based models were burdened with heavy computations due to iterative sampling. For substituting the iterative process, we train a standalone generator to compress all the time steps with the gradient backpropagated from the score network. In order to produce meaningful gradients for the generator, the score network is trained to simultaneously match the real data distribution and mismatch the fake data distribution. This model has the following advantages: 1) For sampling, it generates a fake image with only one step forward. 2) For training, it only needs 10 diffusion steps.3) Compared with consistency model, it is free of the ill-posed problem caused by consistency loss. On the popular CIFAR-10 dataset, our model outperforms Consistency Model and Denoising Score Matching, which demonstrates the potential of the framework. We further provide more examples on the MINIST and LSUN datasets. The code is available on GitHub.

We propose a novel sensitivity analysis framework for linear estimands when identification failure can be viewed as seeing the wrong distribution of outcomes. Our family of assumptions bounds the density ratio between the observed and true conditional outcome distribution. This framework links naturally to selection models, generalizes existing assumptions for the Regression Discontinuity (RD) and Inverse Propensity Weighting (IPW) estimand, and provides a novel nonparametric perspective on violations of identification assumptions for ordinary least squares (OLS). Our sharp partial identification results extend existing results for IPW to cover other estimands and assumptions that allow even unbounded likelihood ratios, yielding a simple and unified characterization of bounds under assumptions like the c-dependence assumption of Masten and Poirier (2018). The sharp bounds can be written as a simple closed form moment of the data, the nuisance functions estimated in the primary analysis, and the conditional outcome quantile function. We find our method does well in simulations even when targeting a discontinuous and nearly infinite bound.

Composed image retrieval is a type of image retrieval task where the user provides a reference image as a starting point and specifies a text on how to shift from the starting point to the desired target image. However, most existing methods focus on the composition learning of text and reference images and oversimplify the text as a description, neglecting the inherent structure and the user's shifting intention of the texts. As a result, these methods typically take shortcuts that disregard the visual cue of the reference images. To address this issue, we reconsider the text as instructions and propose a Semantic Shift network (SSN) that explicitly decomposes the semantic shifts into two steps: from the reference image to the visual prototype and from the visual prototype to the target image. Specifically, SSN explicitly decomposes the instructions into two components: degradation and upgradation, where the degradation is used to picture the visual prototype from the reference image, while the upgradation is used to enrich the visual prototype into the final representations to retrieve the desired target image. The experimental results show that the proposed SSN demonstrates a significant improvement of 5.42% and 1.37% on the CIRR and FashionIQ datasets, respectively, and establishes a new state-of-the-art performance. Codes will be publicly available.

Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.

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.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

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.