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Computation of document similarity is a critical task in various NLP domains that has applications in deduplication, matching, and recommendation. Traditional approaches for document similarity computation include learning representations of documents and employing a similarity or a distance function over the embeddings. However, pairwise similarities and differences are not efficiently captured by individual representations. Graph representations such as Joint Concept Interaction Graph (JCIG) represent a pair of documents as a joint undirected weighted graph. JCIGs facilitate an interpretable representation of document pairs as a graph. However, JCIGs are undirected, and don't consider the sequential flow of sentences in documents. We propose two approaches to model document similarity by representing document pairs as a directed and sparse JCIG that incorporates sequential information. We propose two algorithms inspired by Supergenome Sorting and Hamiltonian Path that replace the undirected edges with directed edges. Our approach also sparsifies the graph to $O(n)$ edges from JCIG's worst case of $O(n^2)$. We show that our sparse directed graph model architecture consisting of a Siamese encoder and GCN achieves comparable results to the baseline on datasets not containing sequential information and beats the baseline by ten points on an instructional documents dataset containing sequential information.

Universal domain adaptation aims to align the classes and reduce the feature gap between the same category of the source and target domains. The target private category is set as the unknown class during the adaptation process, as it is not included in the source domain. However, most existing methods overlook the intra-class structure within a category, especially in cases where there exists significant concept shift between the samples belonging to the same category. When samples with large concept shift are forced to be pushed together, it may negatively affect the adaptation performance. Moreover, from the interpretability aspect, it is unreasonable to align visual features with significant differences, such as fighter jets and civil aircraft, into the same category. Unfortunately, due to such semantic ambiguity and annotation cost, categories are not always classified in detail, making it difficult for the model to perform precise adaptation. To address these issues, we propose a novel Memory-Assisted Sub-Prototype Mining (MemSPM) method that can learn the differences between samples belonging to the same category and mine sub-classes when there exists significant concept shift between them. By doing so, our model learns a more reasonable feature space that enhances the transferability and reflects the inherent differences among samples annotated as the same category. We evaluate the effectiveness of our MemSPM method over multiple scenarios, including UniDA, OSDA, and PDA. Our method achieves state-of-the-art performance on four benchmarks in most cases.

It is common to observe performance degradation when transferring models trained on some (source) datasets to target testing data due to a domain gap between them. Existing methods for bridging this gap, such as domain adaptation (DA), may require the source data on which the model was trained (often not available), while others, i.e., source-free DA, require many passes through the testing data. We propose an online test-time adaptation method for depth completion, the task of inferring a dense depth map from a single image and associated sparse depth map, that closes the performance gap in a single pass. We first present a study on how the domain shift in each data modality affects model performance. Based on our observations that the sparse depth modality exhibits a much smaller covariate shift than the image, we design an embedding module trained in the source domain that preserves a mapping from features encoding only sparse depth to those encoding image and sparse depth. During test time, sparse depth features are projected using this map as a proxy for source domain features and are used as guidance to train a set of auxiliary parameters (i.e., adaptation layer) to align image and sparse depth features from the target test domain to that of the source domain. We evaluate our method on indoor and outdoor scenarios and show that it improves over baselines by an average of 21.1%.

Single-domain generalized object detection aims to enhance a model's generalizability to multiple unseen target domains using only data from a single source domain during training. This is a practical yet challenging task as it requires the model to address domain shift without incorporating target domain data into training. In this paper, we propose a novel phrase grounding-based style transfer (PGST) approach for the task. Specifically, we first define textual prompts to describe potential objects for each unseen target domain. Then, we leverage the grounded language-image pre-training (GLIP) model to learn the style of these target domains and achieve style transfer from the source to the target domain. The style-transferred source visual features are semantically rich and could be close to imaginary counterparts in the target domain. Finally, we employ these style-transferred visual features to fine-tune GLIP. By introducing imaginary counterparts, the detector could be effectively generalized to unseen target domains using only a single source domain for training. Extensive experimental results on five diverse weather driving benchmarks demonstrate our proposed approach achieves state-of-the-art performance, even surpassing some domain adaptive methods that incorporate target domain images into the training process.The source codes and pre-trained models will be made available.

Denoising diffusion probabilistic models (DDPMs) have recently taken the field of generative modeling by storm, pioneering new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided protein design. Along this latter line of research, methods have recently been proposed for generating 3D molecules using equivariant graph neural networks (GNNs) within a DDPM framework. However, such methods are unable to learn important geometric and physical properties of 3D molecules during molecular graph generation, as they adopt molecule-agnostic and non-geometric GNNs as their 3D graph denoising networks, which negatively impacts their ability to effectively scale to datasets of large 3D molecules. In this work, we address these gaps by introducing the Geometry-Complete Diffusion Model (GCDM) for 3D molecule generation, which outperforms existing 3D molecular diffusion models by significant margins across conditional and unconditional settings for the QM9 dataset as well as for the larger GEOM-Drugs dataset. Importantly, we demonstrate that the geometry-complete denoising process GCDM learns for 3D molecule generation allows the model to generate realistic and stable large molecules at the scale of GEOM-Drugs, whereas previous methods fail to do so with the features they learn. Additionally, we show that extensions of GCDM can not only effectively design 3D molecules for specific protein pockets but also that GCDM's geometric features can effectively be repurposed to directly optimize the geometry and chemical composition of existing 3D molecules for specific molecular properties, demonstrating new, real-world versatility of molecular diffusion models. Our source code and data are freely available at //github.com/BioinfoMachineLearning/Bio-Diffusion.

Document-level translation models are usually evaluated using general metrics such as BLEU, which are not informative about the benefits of context. Current work on context-aware evaluation, such as contrastive methods, only measure translation accuracy on words that need context for disambiguation. Such measures cannot reveal whether the translation model uses the correct supporting context. We propose to complement accuracy-based evaluation with measures of context utilization. We find that perturbation-based analysis (comparing models' performance when provided with correct versus random context) is an effective measure of overall context utilization. For a finer-grained phenomenon-specific evaluation, we propose to measure how much the supporting context contributes to handling context-dependent discourse phenomena. We show that automatically-annotated supporting context gives similar conclusions to human-annotated context and can be used as alternative for cases where human annotations are not available. Finally, we highlight the importance of using discourse-rich datasets when assessing context utilization.

Machine unlearning has emerged as a new paradigm to deliberately forget data samples from a given model in order to adhere to stringent regulations. However, existing machine unlearning methods have been primarily focused on classification models, leaving the landscape of unlearning for generative models relatively unexplored. This paper serves as a bridge, addressing the gap by providing a unifying framework of machine unlearning for image-to-image generative models. Within this framework, we propose a computationally-efficient algorithm, underpinned by rigorous theoretical analysis, that demonstrates negligible performance degradation on the retain samples, while effectively removing the information from the forget samples. Empirical studies on two large-scale datasets, ImageNet-1K and Places-365, further show that our algorithm does not rely on the availability of the retain samples, which further complies with data retention policy. To our best knowledge, this work is the first that represents systemic, theoretical, empirical explorations of machine unlearning specifically tailored for image-to-image generative models. Our code is available at //github.com/jpmorganchase/l2l-generator-unlearning.

Invariant approaches have been remarkably successful in tackling the problem of domain generalization, where the objective is to perform inference on data distributions different from those used in training. In our work, we investigate whether it is possible to leverage domain information from the unseen test samples themselves. We propose a domain-adaptive approach consisting of two steps: a) we first learn a discriminative domain embedding from unsupervised training examples, and b) use this domain embedding as supplementary information to build a domain-adaptive model, that takes both the input as well as its domain into account while making predictions. For unseen domains, our method simply uses few unlabelled test examples to construct the domain embedding. This enables adaptive classification on any unseen domain. Our approach achieves state-of-the-art performance on various domain generalization benchmarks. In addition, we introduce the first real-world, large-scale domain generalization benchmark, Geo-YFCC, containing 1.1M samples over 40 training, 7 validation, and 15 test domains, orders of magnitude larger than prior work. We show that the existing approaches either do not scale to this dataset or underperform compared to the simple baseline of training a model on the union of data from all training domains. In contrast, our approach achieves a significant improvement.

It is always well believed that modeling relationships between objects would be helpful for representing and eventually describing an image. Nevertheless, there has not been evidence in support of the idea on image description generation. In this paper, we introduce a new design to explore the connections between objects for image captioning under the umbrella of attention-based encoder-decoder framework. Specifically, we present Graph Convolutional Networks plus Long Short-Term Memory (dubbed as GCN-LSTM) architecture that novelly integrates both semantic and spatial object relationships into image encoder. Technically, we build graphs over the detected objects in an image based on their spatial and semantic connections. The representations of each region proposed on objects are then refined by leveraging graph structure through GCN. With the learnt region-level features, our GCN-LSTM capitalizes on LSTM-based captioning framework with attention mechanism for sentence generation. Extensive experiments are conducted on COCO image captioning dataset, and superior results are reported when comparing to state-of-the-art approaches. More remarkably, GCN-LSTM increases CIDEr-D performance from 120.1% to 128.7% on COCO testing set.

Traditional methods for link prediction can be categorized into three main types: graph structure feature-based, latent feature-based, and explicit feature-based. Graph structure feature methods leverage some handcrafted node proximity scores, e.g., common neighbors, to estimate the likelihood of links. Latent feature methods rely on factorizing networks' matrix representations to learn an embedding for each node. Explicit feature methods train a machine learning model on two nodes' explicit attributes. Each of the three types of methods has its unique merits. In this paper, we propose SEAL (learning from Subgraphs, Embeddings, and Attributes for Link prediction), a new framework for link prediction which combines the power of all the three types into a single graph neural network (GNN). GNN is a new type of neural network which directly accepts graphs as input and outputs their labels. In SEAL, the input to the GNN is a local subgraph around each target link. We prove theoretically that our local subgraphs also reserve a great deal of high-order graph structure features related to link existence. Another key feature is that our GNN can naturally incorporate latent features and explicit features. It is achieved by concatenating node embeddings (latent features) and node attributes (explicit features) in the node information matrix for each subgraph, thus combining the three types of features to enhance GNN learning. Through extensive experiments, SEAL shows unprecedentedly strong performance against a wide range of baseline methods, including various link prediction heuristics and network embedding methods.