Daily Papers

The field of visual representation learning has seen explosive growth in the past years, but its benefits in robotics have been surprisingly limited so far. Prior work uses generic visual representations as a basis to learn (task-specific) robot action policies (e.g., via behavior cloning). While the visual representations do accelerate learning, they are primarily used to encode visual observations. Thus, action information has to be derived purely from robot data, which is expensive to collect! In this work, we present a scalable alternative where the visual representations can help directly infer robot actions. We observe that vision encoders express relationships between image observations as distances (e.g., via embedding dot product) that could be used to efficiently plan robot behavior. We operationalize this insight and develop a simple algorithm for acquiring a distance function and dynamics predictor, by fine-tuning a pre-trained representation on human collected video sequences. The final method is able to substantially outperform traditional robot learning baselines (e.g., 70% success v.s. 50% for behavior cloning on pick-place) on a suite of diverse real-world manipulation tasks. It can also generalize to novel objects, without using any robot demonstrations during train time. For visualizations of the learned policies please check: https://agi-labs.github.io/manipulate-by-seeing/.

This work presents a novel framework for training Arabic nested embedding models through Matryoshka Embedding Learning, leveraging multilingual, Arabic-specific, and English-based models, to highlight the power of nested embeddings models in various Arabic NLP downstream tasks. Our innovative contribution includes the translation of various sentence similarity datasets into Arabic, enabling a comprehensive evaluation framework to compare these models across different dimensions. We trained several nested embedding models on the Arabic Natural Language Inference triplet dataset and assessed their performance using multiple evaluation metrics, including Pearson and Spearman correlations for cosine similarity, Manhattan distance, Euclidean distance, and dot product similarity. The results demonstrate the superior performance of the Matryoshka embedding models, particularly in capturing semantic nuances unique to the Arabic language. Results demonstrated that Arabic Matryoshka embedding models have superior performance in capturing semantic nuances unique to the Arabic language, significantly outperforming traditional models by up to 20-25\% across various similarity metrics. These results underscore the effectiveness of language-specific training and highlight the potential of Matryoshka models in enhancing semantic textual similarity tasks for Arabic NLP.

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with feed-forward networks, enabling a more expressive representation of relationships between tokens. This approach modifies only the attention matrix calculation while preserving the matrix dimensions, making it easily adaptable to existing transformer-based architectures. We provide a detailed mathematical justification for why Neural Attention increases representational capacity and conduct controlled experiments to validate this claim. When comparing Neural Attention and Dot-Product Attention, NLP experiments on WikiText-103 show a reduction in perplexity of over 5 percent. Similarly, experiments on CIFAR-10 and CIFAR-100 show comparable improvements for image classification tasks. While Neural Attention introduces higher computational demands, we develop techniques to mitigate these challenges, ensuring practical usability without sacrificing the increased expressivity it provides. This work establishes Neural Attention as an effective means of enhancing the predictive capabilities of transformer models across a variety of applications.

In this paper we present Mask DINO, a unified object detection and segmentation framework. Mask DINO extends DINO (DETR with Improved Denoising Anchor Boxes) by adding a mask prediction branch which supports all image segmentation tasks (instance, panoptic, and semantic). It makes use of the query embeddings from DINO to dot-product a high-resolution pixel embedding map to predict a set of binary masks. Some key components in DINO are extended for segmentation through a shared architecture and training process. Mask DINO is simple, efficient, and scalable, and it can benefit from joint large-scale detection and segmentation datasets. Our experiments show that Mask DINO significantly outperforms all existing specialized segmentation methods, both on a ResNet-50 backbone and a pre-trained model with SwinL backbone. Notably, Mask DINO establishes the best results to date on instance segmentation (54.5 AP on COCO), panoptic segmentation (59.4 PQ on COCO), and semantic segmentation (60.8 mIoU on ADE20K) among models under one billion parameters. Code is available at https://github.com/IDEACVR/MaskDINO.

This paper presents a computationally efficient machine-learned method for natural language response suggestion. Feed-forward neural networks using n-gram embedding features encode messages into vectors which are optimized to give message-response pairs a high dot-product value. An optimized search finds response suggestions. The method is evaluated in a large-scale commercial e-mail application, Inbox by Gmail. Compared to a sequence-to-sequence approach, the new system achieves the same quality at a small fraction of the computational requirements and latency.

The Attention module finds common usage in language modeling, presenting distinct challenges within the broader scope of Natural Language Processing. Multi-Head Attention (MHA) employs an absolute positional encoding, which imposes limitations on token length and entails substantial memory consumption during the processing of embedded inputs. The current remedy proposed by researchers involves the utilization of relative positional encoding, similar to the approach adopted in Transformer-XL or Relative Multi-Head Attention (RMHA), albeit the employed architecture consumes considerable memory resources. To address these challenges, this study endeavors to refine MHA, leveraging relative positional encoding in conjunction with the Depth-Wise Convolutional Layer architecture, which promises heightened accuracy coupled with minimized memory usage. The proposed RCMHA framework entails the modification of two integral components: firstly, the application of the Depth-Wise Convolutional Layer to the input embedding, encompassing Query, Key, and Value parameters; secondly, the incorporation of Relative Positional Encoding into the attention scoring phase, harmoniously integrated with Scaled Dot-Product Attention. Empirical experiments underscore the advantages of RCMHA, wherein it exhibits superior accuracy, boasting a score of 0.572 in comparison to alternative attention modules such as MHA, Multi-DConv-Head Attention (MDHA), and RMHA. Concerning memory utilization, RMHA emerges as the most frugal, demonstrating an average consumption of 2.98 GB, surpassing RMHA which necessitates 3.5 GB.

Cosine-similarity is the cosine of the angle between two vectors, or equivalently the dot product between their normalizations. A popular application is to quantify semantic similarity between high-dimensional objects by applying cosine-similarity to a learned low-dimensional feature embedding. This can work better but sometimes also worse than the unnormalized dot-product between embedded vectors in practice. To gain insight into this empirical observation, we study embeddings derived from regularized linear models, where closed-form solutions facilitate analytical insights. We derive analytically how cosine-similarity can yield arbitrary and therefore meaningless `similarities.' For some linear models the similarities are not even unique, while for others they are implicitly controlled by the regularization. We discuss implications beyond linear models: a combination of different regularizations are employed when learning deep models; these have implicit and unintended effects when taking cosine-similarities of the resulting embeddings, rendering results opaque and possibly arbitrary. Based on these insights, we caution against blindly using cosine-similarity and outline alternatives.

We present UniPlane, a novel method that unifies plane detection and reconstruction from posed monocular videos. Unlike existing methods that detect planes from local observations and associate them across the video for the final reconstruction, UniPlane unifies both the detection and the reconstruction tasks in a single network, which allows us to directly optimize final reconstruction quality and fully leverage temporal information. Specifically, we build a Transformers-based deep neural network that jointly constructs a 3D feature volume for the environment and estimates a set of per-plane embeddings as queries. UniPlane directly reconstructs the 3D planes by taking dot products between voxel embeddings and the plane embeddings followed by binary thresholding. Extensive experiments on real-world datasets demonstrate that UniPlane outperforms state-of-the-art methods in both plane detection and reconstruction tasks, achieving +4.6 in F-score in geometry as well as consistent improvements in other geometry and segmentation metrics.

Semantic search for candidate retrieval is an important yet neglected problem in retrieval-based Chatbots, which aims to select a bunch of candidate responses efficiently from a large pool. The existing bottleneck is to ensure the model architecture having two points: 1) rich interactions between a query and a response to produce query-relevant responses; 2) ability of separately projecting the query and the response into latent spaces to apply efficiently in semantic search during online inference. To tackle this problem, we propose a novel approach, called Multitask-based Semantic Search Neural Network (MSSNN) for candidate retrieval, which accomplishes query-response interactions through multi-tasks. The method employs a Seq2Seq modeling task to learn a good query encoder, and then performs a word prediction task to build response embeddings, finally conducts a simple matching model to form the dot-product scorer. Experimental studies have demonstrated the potential of the proposed approach.

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

Graphs or networks are a very convenient way to represent data with lots of interaction. Recently, Machine Learning on Graph data has gained a lot of traction. In particular, vertex classification and missing edge detection have very interesting applications, ranging from drug discovery to recommender systems. To achieve such tasks, tremendous work has been accomplished to learn embedding of nodes and edges into finite-dimension vector spaces. This task is called Graph Representation Learning. However, Graph Representation Learning techniques often display prohibitive time and memory complexities, preventing their use in real-time with business size graphs. In this paper, we address this issue by leveraging a degeneracy property of Graphs - the K-Core Decomposition. We present two techniques taking advantage of this decomposition to reduce the time and memory consumption of walk-based Graph Representation Learning algorithms. We evaluate the performances, expressed in terms of quality of embedding and computational resources, of the proposed techniques on several academic datasets. Our code is available at https://github.com/SBrandeis/kcore-embedding

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be SO(3) equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the SO(3) convolutions or tensor products to mathematically equivalent convolutions in SO(2) . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from O(L^6) to O(L^3), where L is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.

We present network embedding algorithms that capture information about a node from the local distribution over node attributes around it, as observed over random walks following an approach similar to Skip-gram. Observations from neighborhoods of different sizes are either pooled (AE) or encoded distinctly in a multi-scale approach (MUSAE). Capturing attribute-neighborhood relationships over multiple scales is useful for a diverse range of applications, including latent feature identification across disconnected networks with similar attributes. We prove theoretically that matrices of node-feature pointwise mutual information are implicitly factorized by the embeddings. Experiments show that our algorithms are robust, computationally efficient and outperform comparable models on social networks and web graphs.

Network embedding, which maps graphs to distributed representations, is a unified framework for various graph inference tasks. According to the topology properties (e.g., structural roles and community memberships of nodes) to be preserved, it can be categorized into the identity and position embedding. However, existing methods can only capture one type of property. Some approaches can support the inductive inference that generalizes the embedding model to new nodes or graphs but relies on the availability of attributes. Due to the complicated correlations between topology and attributes, it is unclear for some inductive methods which type of property they can capture. In this study, we explore a unified framework for the joint inductive inference of identity and position embeddings without attributes. An inductive random walk embedding (IRWE) method is proposed, which combines multiple attention units to handle the random walk on graph topology and simultaneously derives identity and position embeddings that are jointly optimized. In particular, we demonstrate that some random walk statistics can be informative features to characterize node identities and positions while supporting the inductive embedding inference. Experiments validate the superior performance of IRWE beyond various baselines for the transductive and inductive inference of identity and position embeddings.

Recent empirical works have successfully used unlabeled data to learn feature representations that are broadly useful in downstream classification tasks. Several of these methods are reminiscent of the well-known word2vec embedding algorithm: leveraging availability of pairs of semantically "similar" data points and "negative samples," the learner forces the inner product of representations of similar pairs with each other to be higher on average than with negative samples. The current paper uses the term contrastive learning for such algorithms and presents a theoretical framework for analyzing them by introducing latent classes and hypothesizing that semantically similar points are sampled from the same latent class. This framework allows us to show provable guarantees on the performance of the learned representations on the average classification task that is comprised of a subset of the same set of latent classes. Our generalization bound also shows that learned representations can reduce (labeled) sample complexity on downstream tasks. We conduct controlled experiments in both the text and image domains to support the theory.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

We propose Meta-Prod2vec, a novel method to compute item similarities for recommendation that leverages existing item metadata. Such scenarios are frequently encountered in applications such as content recommendation, ad targeting and web search. Our method leverages past user interactions with items and their attributes to compute low-dimensional embeddings of items. Specifically, the item metadata is in- jected into the model as side information to regularize the item embeddings. We show that the new item representa- tions lead to better performance on recommendation tasks on an open music dataset.

In the graph node embedding problem, embedding spaces can vary significantly for different data types, leading to the need for different GNN model types. In this paper, we model the embedding update of a node feature as a Hamiltonian orbit over time. Since the Hamiltonian orbits generalize the exponential maps, this approach allows us to learn the underlying manifold of the graph in training, in contrast to most of the existing literature that assumes a fixed graph embedding manifold with a closed exponential map solution. Our proposed node embedding strategy can automatically learn, without extensive tuning, the underlying geometry of any given graph dataset even if it has diverse geometries. We test Hamiltonian functions of different forms and verify the performance of our approach on two graph node embedding downstream tasks: node classification and link prediction. Numerical experiments demonstrate that our approach adapts better to different types of graph datasets than popular state-of-the-art graph node embedding GNNs. The code is available at https://github.com/zknus/Hamiltonian-GNN.

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

This paper studies the problem of embedding very large information networks into low-dimensional vector spaces, which is useful in many tasks such as visualization, node classification, and link prediction. Most existing graph embedding methods do not scale for real world information networks which usually contain millions of nodes. In this paper, we propose a novel network embedding method called the "LINE," which is suitable for arbitrary types of information networks: undirected, directed, and/or weighted. The method optimizes a carefully designed objective function that preserves both the local and global network structures. An edge-sampling algorithm is proposed that addresses the limitation of the classical stochastic gradient descent and improves both the effectiveness and the efficiency of the inference. Empirical experiments prove the effectiveness of the LINE on a variety of real-world information networks, including language networks, social networks, and citation networks. The algorithm is very efficient, which is able to learn the embedding of a network with millions of vertices and billions of edges in a few hours on a typical single machine. The source code of the LINE is available online.

Joint embedding (JE) architectures have emerged as a promising avenue for acquiring transferable data representations. A key obstacle to using JE methods, however, is the inherent challenge of evaluating learned representations without access to a downstream task, and an annotated dataset. Without efficient and reliable evaluation, it is difficult to iterate on architectural and training choices for JE methods. In this paper, we introduce LiDAR (Linear Discriminant Analysis Rank), a metric designed to measure the quality of representations within JE architectures. Our metric addresses several shortcomings of recent approaches based on feature covariance rank by discriminating between informative and uninformative features. In essence, LiDAR quantifies the rank of the Linear Discriminant Analysis (LDA) matrix associated with the surrogate SSL task -- a measure that intuitively captures the information content as it pertains to solving the SSL task. We empirically demonstrate that LiDAR significantly surpasses naive rank based approaches in its predictive power of optimal hyperparameters. Our proposed criterion presents a more robust and intuitive means of assessing the quality of representations within JE architectures, which we hope facilitates broader adoption of these powerful techniques in various domains.

By interpreting the product of the Principal Component Analysis, that is the covariance matrix, as a sequence of nested subspaces naturally coming with weights according to the level of approximation they provide, we are able to embed all d--dimensional Grassmannians into a stratified space of covariance matrices. We observe that Grassmannians constitute the lowest dimensional skeleton of the stratification while it is possible to define a Riemaniann metric on the highest dimensional and dense stratum, such a metric being compatible with the global stratification. With such a Riemaniann metric at hand, it is possible to look for geodesics between two linear subspaces of different dimensions that do not go through higher dimensional linear subspaces as would euclidean geodesics. Building upon the proposed embedding of Grassmannians into the stratified space of covariance matrices, we generalize the concept of varifolds to what we call flagfolds in order to model multi-dimensional shapes.

Learning discriminative shape representations is a crucial issue for large-scale 3D shape retrieval. In this paper, we propose the Collaborative Inner Product Loss (CIP Loss) to obtain ideal shape embedding that discriminative among different categories and clustered within the same class. Utilizing simple inner product operation, CIP loss explicitly enforces the features of the same class to be clustered in a linear subspace, while inter-class subspaces are constrained to be at least orthogonal. Compared to previous metric loss functions, CIP loss could provide more clear geometric interpretation for the embedding than Euclidean margin, and is easy to implement without normalization operation referring to cosine margin. Moreover, our proposed loss term can combine with other commonly used loss functions and can be easily plugged into existing off-the-shelf architectures. Extensive experiments conducted on the two public 3D object retrieval datasets, ModelNet and ShapeNetCore 55, demonstrate the effectiveness of our proposal, and our method has achieved state-of-the-art results on both datasets.

Following the success of Word2Vec embeddings, graph embeddings (GEs) have gained substantial traction. GEs are commonly generated and evaluated extrinsically on downstream applications, but intrinsic evaluations of the original graph properties in terms of topological structure and semantic information have been lacking. Understanding these will help identify the deficiency of the various families of GE methods when vectorizing graphs in terms of preserving the relevant knowledge or learning incorrect knowledge. To address this, we propose RESTORE, a framework for intrinsic GEs assessment through graph reconstruction. We show that reconstructing the original graph from the underlying GEs yields insights into the relative amount of information preserved in a given vector form. We first introduce the graph reconstruction task. We generate GEs from three GE families based on factorization methods, random walks, and deep learning (with representative algorithms from each family) on the CommonSense Knowledge Graph (CSKG). We analyze their effectiveness in preserving the (a) topological structure of node-level graph reconstruction with an increasing number of hops and (b) semantic information on various word semantic and analogy tests. Our evaluations show deep learning-based GE algorithm (SDNE) is overall better at preserving (a) with a mean average precision (mAP) of 0.54 and 0.35 for 2 and 3-hop reconstruction respectively, while the factorization-based algorithm (HOPE) is better at encapsulating (b) with an average Euclidean distance of 0.14, 0.17, and 0.11 for 1, 2, and 3-hop reconstruction respectively. The modest performance of these GEs leaves room for further research avenues on better graph representation learning.

Recent research on time-series self-supervised models shows great promise in learning semantic representations. However, it has been limited to small-scale datasets, e.g., thousands of temporal sequences. In this work, we make key technical contributions that are tailored to the numerical properties of time-series data and allow the model to scale to large datasets, e.g., millions of temporal sequences. We adopt the Transformer architecture by first partitioning the input into non-overlapping windows. Each window is then characterized by its normalized shape and two scalar values denoting the mean and standard deviation within each window. To embed scalar values that may possess arbitrary numerical scales to high-dimensional vectors, we propose a numerically multi-scaled embedding module enumerating all possible scales for the scalar values. The model undergoes pretraining using the proposed numerically multi-scaled embedding with a simple contrastive objective on a large-scale dataset containing over a million sequences. We study its transfer performance on a number of univariate and multivariate classification benchmarks. Our method exhibits remarkable improvement against previous representation learning approaches and establishes the new state of the art, even compared with domain-specific non-learning-based methods.

We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information matrix via stochastic gradient descent. It uses a piecewise loss with special handling for unobserved co-occurrences, and thus makes use of all the information in the matrix. While this requires computation proportional to the size of the entire matrix, we make use of vectorized multiplication to process thousands of rows and columns at once to compute millions of predicted values. Furthermore, we partition the matrix into shards in order to parallelize the computation across many nodes. This approach results in more accurate embeddings than can be achieved with methods that consider only observed co-occurrences, and can scale to much larger corpora than can be handled with sampling methods.

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into generalizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose both efficient unsupervised and supervised methods for learning the embeddings. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at https://github.com/BorgwardtLab/fisher_information_embedding.

Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central approach to manifold learning, and hyperbolic geometry. Specifically, using diffusion geometry, we build multi-scale densities on the data, aimed to reveal their hierarchical structure, and then embed them into a product of hyperbolic spaces. We show theoretically that our embedding and distance recover the underlying hierarchical structure. In addition, we demonstrate the efficacy of the proposed method and its advantages compared to existing methods on graph embedding benchmarks and hierarchical datasets.

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.

We show how perceptual embeddings of the visual system can be constructed at inference-time with no training data or deep neural network features. Our perceptual embeddings are solutions to a weighted least squares (WLS) problem, defined at the pixel-level, and solved at inference-time, that can capture global and local image characteristics. The distance in embedding space is used to define a perceptual similarity metric which we call LASI: Linear Autoregressive Similarity Index. Experiments on full-reference image quality assessment datasets show LASI performs competitively with learned deep feature based methods like LPIPS (Zhang et al., 2018) and PIM (Bhardwaj et al., 2020), at a similar computational cost to hand-crafted methods such as MS-SSIM (Wang et al., 2003). We found that increasing the dimensionality of the embedding space consistently reduces the WLS loss while increasing performance on perceptual tasks, at the cost of increasing the computational complexity. LASI is fully differentiable, scales cubically with the number of embedding dimensions, and can be parallelized at the pixel-level. A Maximum Differentiation (MAD) competition (Wang & Simoncelli, 2008) between LASI and LPIPS shows that both methods are capable of finding failure points for the other, suggesting these metrics can be combined.

A crucial component of many deep learning applications (such as FAQ and RAG) is dense retrieval, in which embedding models are used to convert raw text to numerical vectors and then get the most similar text by MIPS (Maximum Inner Product Search). Some text embedding benchmarks (e.g. MTEB, BEIR, and AIR-Bench) have been established to evaluate embedding models accurately. Thanks to these benchmarks, we can use SOTA models; however, the deployment and application of these models in industry were hampered by their large vector dimensions and numerous parameters. To alleviate this problem, 1) we present a distillation technique that can enable a smaller student model to achieve good performance. 2) Inspired by MRL we present a training approach of reducing the vector dimensions based on its own vectors or its teacher vectors. 3) We do simple yet effective alignment training between images and text to make our model a multimodal encoder. We trained Stella and Jasper models using the technologies above and achieved high scores on the MTEB leaderboard. We release the model and data at Hugging Face Hub (https://huggingface.co/infgrad/jasper_en_vision_language_v1) and the training logs are at https://api.wandb.ai/links/dunnzhang0/z8jqoqpb.

Faithful visualizations of data residing on manifolds must take the underlying geometry into account when producing a flat planar view of the data. In this paper, we extend the classic stochastic neighbor embedding (SNE) algorithm to data on general Riemannian manifolds. We replace standard Gaussian assumptions with Riemannian diffusion counterparts and propose an efficient approximation that only requires access to calculations of Riemannian distances and volumes. We demonstrate that the approach also allows for mapping data from one manifold to another, e.g. from a high-dimensional sphere to a low-dimensional one.

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.

While most network embedding techniques model the relative positions of nodes in a network, recently there has been significant interest in structural embeddings that model node role equivalences, irrespective of their distances to any specific nodes. We present PhUSION, a proximity-based unified framework for computing structural and positional node embeddings, which leverages well-established methods for calculating node proximity scores. Clarifying a point of contention in the literature, we show which step of PhUSION produces the different kinds of embeddings and what steps can be used by both. Moreover, by aggregating the PhUSION node embeddings, we obtain graph-level features that model information lost by previous graph feature learning and kernel methods. In a comprehensive empirical study with over 10 datasets, 4 tasks, and 35 methods, we systematically reveal successful design choices for node and graph-level machine learning with embeddings.

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian governing fragments of the total system, in such a way that fragment solutions can harness the capabilities of quantum computers. By employing state-of-art quantum subroutines including the quantum SWAP test and quantum amplitude amplification, we show how a quadratic speedup can be obtained over the classical algorithm, in principle. Utilization of quantum computation also allows the algorithm to match -- at little additional computational cost -- full density matrices at fragment boundaries, instead of being limited to 1-RDMs. Current quantum computers are small, but quantum bootstrap embedding provides a potentially generalizable strategy for harnessing such small machines through quantum fragment matching.

Modern deep learning-based recommendation systems exploit hundreds to thousands of different categorical features, each with millions of different categories ranging from clicks to posts. To respect the natural diversity within the categorical data, embeddings map each category to a unique dense representation within an embedded space. Since each categorical feature could take on as many as tens of millions of different possible categories, the embedding tables form the primary memory bottleneck during both training and inference. We propose a novel approach for reducing the embedding size in an end-to-end fashion by exploiting complementary partitions of the category set to produce a unique embedding vector for each category without explicit definition. By storing multiple smaller embedding tables based on each complementary partition and combining embeddings from each table, we define a unique embedding for each category at smaller memory cost. This approach may be interpreted as using a specific fixed codebook to ensure uniqueness of each category's representation. Our experimental results demonstrate the effectiveness of our approach over the hashing trick for reducing the size of the embedding tables in terms of model loss and accuracy, while retaining a similar reduction in the number of parameters.

Instance embeddings are an efficient and versatile image representation that facilitates applications like recognition, verification, retrieval, and clustering. Many metric learning methods represent the input as a single point in the embedding space. Often the distance between points is used as a proxy for match confidence. However, this can fail to represent uncertainty arising when the input is ambiguous, e.g., due to occlusion or blurriness. This work addresses this issue and explicitly models the uncertainty by hedging the location of each input in the embedding space. We introduce the hedged instance embedding (HIB) in which embeddings are modeled as random variables and the model is trained under the variational information bottleneck principle. Empirical results on our new N-digit MNIST dataset show that our method leads to the desired behavior of hedging its bets across the embedding space upon encountering ambiguous inputs. This results in improved performance for image matching and classification tasks, more structure in the learned embedding space, and an ability to compute a per-exemplar uncertainty measure that is correlated with downstream performance.

Word embeddings, i.e., semantically meaningful vector representation of words, are largely influenced by the distributional hypothesis "You shall know a word by the company it keeps" (Harris, 1954), whereas modern prediction-based neural network embeddings rely on design choices and hyperparameter optimization. Word embeddings like Word2Vec, GloVe etc. well capture the contextuality and real-world analogies but contemporary convolution-based image embeddings such as VGGNet, AlexNet, etc. do not capture contextual knowledge. The popular king-queen analogy does not hold true for most commonly used vision embeddings. In this paper, we introduce a pre-trained joint embedding (JE), named IMAGINATOR, trained on 21K distinct image objects level from 1M image+text pairs. JE is a way to encode multimodal data into a vector space where the text modality serves as the ground-ing key, which the complementary modality (in this case, the image) is anchored with. IMAGINATOR encapsulates three individual representations: (i) object-object co-location, (ii) word-object co-location, and (iii) word-object correlation. These three ways capture complementary aspects of the two modalities which are further combined to obtain the final JEs. Generated JEs are intrinsically evaluated to assess how well they capture the contextuality and real-world analogies. We also evaluate pre-trained IMAGINATOR JEs on three downstream tasks: (i) image captioning, (ii) Image2Tweet, and (iii) text-based image retrieval. IMAGINATOR establishes a new standard on the aforementioned down-stream tasks by outperforming the current SoTA on all the selected tasks. IMAGINATOR will be made publicly available. The codes are available at https://github.com/varunakk/IMAGINATOR

Continuous Bag of Words (CBOW) is a powerful text embedding method. Due to its strong capabilities to encode word content, CBOW embeddings perform well on a wide range of downstream tasks while being efficient to compute. However, CBOW is not capable of capturing the word order. The reason is that the computation of CBOW's word embeddings is commutative, i.e., embeddings of XYZ and ZYX are the same. In order to address this shortcoming, we propose a learning algorithm for the Continuous Matrix Space Model, which we call Continual Multiplication of Words (CMOW). Our algorithm is an adaptation of word2vec, so that it can be trained on large quantities of unlabeled text. We empirically show that CMOW better captures linguistic properties, but it is inferior to CBOW in memorizing word content. Motivated by these findings, we propose a hybrid model that combines the strengths of CBOW and CMOW. Our results show that the hybrid CBOW-CMOW-model retains CBOW's strong ability to memorize word content while at the same time substantially improving its ability to encode other linguistic information by 8%. As a result, the hybrid also performs better on 8 out of 11 supervised downstream tasks with an average improvement of 1.2%.

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning has emerged as a powerful tool for extracting insights from data. However, existing models typically specialize in either numeric or symbolic domains, and are usually trained in a supervised manner tailored to specific tasks. This approach neglects the substantial benefits that could arise from a task-agnostic unified understanding between symbolic equations and their numeric counterparts. To bridge the gap, we introduce SNIP, a Symbolic-Numeric Integrated Pre-training, which employs joint contrastive learning between symbolic and numeric domains, enhancing their mutual similarities in the pre-trained embeddings. By performing latent space analysis, we observe that SNIP provides cross-domain insights into the representations, revealing that symbolic supervision enhances the embeddings of numeric data and vice versa. We evaluate SNIP across diverse tasks, including symbolic-to-numeric mathematical property prediction and numeric-to-symbolic equation discovery, commonly known as symbolic regression. Results show that SNIP effectively transfers to various tasks, consistently outperforming fully supervised baselines and competing strongly with established task-specific methods, especially in few-shot learning scenarios where available data is limited.

Learning embedding table plays a fundamental role in Click-through rate(CTR) prediction from the view of the model performance and memory usage. The embedding table is a two-dimensional tensor, with its axes indicating the number of feature values and the embedding dimension, respectively. To learn an efficient and effective embedding table, recent works either assign various embedding dimensions for feature fields and reduce the number of embeddings respectively or mask the embedding table parameters. However, all these existing works cannot get an optimal embedding table. On the one hand, various embedding dimensions still require a large amount of memory due to the vast number of features in the dataset. On the other hand, decreasing the number of embeddings usually suffers from performance degradation, which is intolerable in CTR prediction. Finally, pruning embedding parameters will lead to a sparse embedding table, which is hard to be deployed. To this end, we propose an optimal embedding table learning framework OptEmbed, which provides a practical and general method to find an optimal embedding table for various base CTR models. Specifically, we propose pruning the redundant embeddings regarding corresponding features' importance by learnable pruning thresholds. Furthermore, we consider assigning various embedding dimensions as one single candidate architecture. To efficiently search the optimal embedding dimensions, we design a uniform embedding dimension sampling scheme to equally train all candidate architectures, meaning architecture-related parameters and learnable thresholds are trained simultaneously in one supernet. We then propose an evolution search method based on the supernet to find the optimal embedding dimensions for each field. Experiments on public datasets show that OptEmbed can learn a compact embedding table which can further improve the model performance.

We introduce MeshGPT, a new approach for generating triangle meshes that reflects the compactness typical of artist-created meshes, in contrast to dense triangle meshes extracted by iso-surfacing methods from neural fields. Inspired by recent advances in powerful large language models, we adopt a sequence-based approach to autoregressively generate triangle meshes as sequences of triangles. We first learn a vocabulary of latent quantized embeddings, using graph convolutions, which inform these embeddings of the local mesh geometry and topology. These embeddings are sequenced and decoded into triangles by a decoder, ensuring that they can effectively reconstruct the mesh. A transformer is then trained on this learned vocabulary to predict the index of the next embedding given previous embeddings. Once trained, our model can be autoregressively sampled to generate new triangle meshes, directly generating compact meshes with sharp edges, more closely imitating the efficient triangulation patterns of human-crafted meshes. MeshGPT demonstrates a notable improvement over state of the art mesh generation methods, with a 9% increase in shape coverage and a 30-point enhancement in FID scores across various categories.

Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.

Random walks are widely used for mining networks due to the computational efficiency of computing them. For instance, graph representation learning learns a d-dimensional embedding space, so that the nodes that tend to co-occur on random walks (a proxy of being in the same network neighborhood) are close in the embedding space. Specific local network topology (i.e., structure) influences the co-occurrence of nodes on random walks, so random walks of limited length capture only partial topological information, hence diminishing the performance of downstream methods. We explicitly capture all topological neighborhood information and improve performance by introducing orbit adjacencies that quantify the adjacencies of two nodes as co-occurring on a given pair of graphlet orbits, which are symmetric positions on graphlets (small, connected, non-isomorphic, induced subgraphs of a large network). Importantly, we mathematically prove that random walks on up to k nodes capture only a subset of all the possible orbit adjacencies for up to k-node graphlets. Furthermore, we enable orbit adjacency-based analysis of networks by developing an efficient GRaphlet-orbit ADjacency COunter (GRADCO), which exhaustively computes all 28 orbit adjacency matrices for up to four-node graphlets. Note that four-node graphlets suffice, because real networks are usually small-world. In large networks on around 20,000 nodes, GRADCOcomputesthe28matricesinminutes. Onsixrealnetworksfromvarious domains, we compare the performance of node-label predictors obtained by using the network embeddings based on our orbit adjacencies to those based on random walks. We find that orbit adjacencies, which include those unseen by random walks, outperform random walk-based adjacencies, demonstrating the importance of the inclusion of the topological neighborhood information that is unseen by random walks.

The learnable, linear neural network layers between tensor power spaces of R^{n} that are equivariant to the orthogonal group, O(n), the special orthogonal group, SO(n), and the symplectic group, Sp(n), were characterised in arXiv:2212.08630. We present an algorithm for multiplying a vector by any weight matrix for each of these groups, using category theoretic constructions to implement the procedure. We achieve a significant reduction in computational cost compared with a naive implementation by making use of Kronecker product matrices to perform the multiplication. We show that our approach extends to the symmetric group, S_n, recovering the algorithm of arXiv:2303.06208 in the process.

We present Transformation Invariance and Covariance Contrast (TiCo) for self-supervised visual representation learning. Similar to other recent self-supervised learning methods, our method is based on maximizing the agreement among embeddings of different distorted versions of the same image, which pushes the encoder to produce transformation invariant representations. To avoid the trivial solution where the encoder generates constant vectors, we regularize the covariance matrix of the embeddings from different images by penalizing low rank solutions. By jointly minimizing the transformation invariance loss and covariance contrast loss, we get an encoder that is able to produce useful representations for downstream tasks. We analyze our method and show that it can be viewed as a variant of MoCo with an implicit memory bank of unlimited size at no extra memory cost. This makes our method perform better than alternative methods when using small batch sizes. TiCo can also be seen as a modification of Barlow Twins. By connecting the contrastive and redundancy-reduction methods together, TiCo gives us new insights into how joint embedding methods work.

Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with dimension L, followed by a sum pooling to obtain a whole-set embedding, and finally mapping the whole-set embedding to the output. In this work, we investigate the impact of the dimension L on the expressive power of DeepSets. Previous analyses either oversimplified high-dimensional features to be one-dimensional features or were limited to analytic activations, thereby diverging from practical use or resulting in L that grows exponentially with the set size N and feature dimension D. To investigate the minimal value of L that achieves sufficient expressive power, we present two set-element embedding layers: (a) linear + power activation (LP) and (b) linear + exponential activations (LE). We demonstrate that L being poly(N, D) is sufficient for set representation using both embedding layers. We also provide a lower bound of L for the LP embedding layer. Furthermore, we extend our results to permutation-equivariant set functions and the complex field.

Recent advances in text-to-image generation have made remarkable progress in synthesizing realistic human photos conditioned on given text prompts. However, existing personalized generation methods cannot simultaneously satisfy the requirements of high efficiency, promising identity (ID) fidelity, and flexible text controllability. In this work, we introduce PhotoMaker, an efficient personalized text-to-image generation method, which mainly encodes an arbitrary number of input ID images into a stack ID embedding for preserving ID information. Such an embedding, serving as a unified ID representation, can not only encapsulate the characteristics of the same input ID comprehensively, but also accommodate the characteristics of different IDs for subsequent integration. This paves the way for more intriguing and practically valuable applications. Besides, to drive the training of our PhotoMaker, we propose an ID-oriented data construction pipeline to assemble the training data. Under the nourishment of the dataset constructed through the proposed pipeline, our PhotoMaker demonstrates better ID preservation ability than test-time fine-tuning based methods, yet provides significant speed improvements, high-quality generation results, strong generalization capabilities, and a wide range of applications. Our project page is available at https://photo-maker.github.io/

Learning similarity is a key aspect in medical image analysis, particularly in recommendation systems or in uncovering the interpretation of anatomical data in images. Most existing methods learn such similarities in the embedding space over image sets using a single metric learner. Images, however, have a variety of object attributes such as color, shape, or artifacts. Encoding such attributes using a single metric learner is inadequate and may fail to generalize. Instead, multiple learners could focus on separate aspects of these attributes in subspaces of an overarching embedding. This, however, implies the number of learners to be found empirically for each new dataset. This work, Dynamic Subspace Learners, proposes to dynamically exploit multiple learners by removing the need of knowing apriori the number of learners and aggregating new subspace learners during training. Furthermore, the visual interpretability of such subspace learning is enforced by integrating an attention module into our method. This integrated attention mechanism provides a visual insight of discriminative image features that contribute to the clustering of image sets and a visual explanation of the embedding features. The benefits of our attention-based dynamic subspace learners are evaluated in the application of image clustering, image retrieval, and weakly supervised segmentation. Our method achieves competitive results with the performances of multiple learners baselines and significantly outperforms the classification network in terms of clustering and retrieval scores on three different public benchmark datasets. Moreover, our attention maps offer a proxy-labels, which improves the segmentation accuracy up to 15% in Dice scores when compared to state-of-the-art interpretation techniques.

Image clustering is one of the most important computer vision applications, which has been extensively studied in literature. However, current clustering methods mostly suffer from lack of efficiency and scalability when dealing with large-scale and high-dimensional data. In this paper, we propose a new clustering model, called DEeP Embedded RegularIzed ClusTering (DEPICT), which efficiently maps data into a discriminative embedding subspace and precisely predicts cluster assignments. DEPICT generally consists of a multinomial logistic regression function stacked on top of a multi-layer convolutional autoencoder. We define a clustering objective function using relative entropy (KL divergence) minimization, regularized by a prior for the frequency of cluster assignments. An alternating strategy is then derived to optimize the objective by updating parameters and estimating cluster assignments. Furthermore, we employ the reconstruction loss functions in our autoencoder, as a data-dependent regularization term, to prevent the deep embedding function from overfitting. In order to benefit from end-to-end optimization and eliminate the necessity for layer-wise pretraining, we introduce a joint learning framework to minimize the unified clustering and reconstruction loss functions together and train all network layers simultaneously. Experimental results indicate the superiority and faster running time of DEPICT in real-world clustering tasks, where no labeled data is available for hyper-parameter tuning.

Same-style products retrieval plays an important role in e-commerce platforms, aiming to identify the same products which may have different text descriptions or images. It can be used for similar products retrieval from different suppliers or duplicate products detection of one supplier. Common methods use the image as the detected object, but they only consider the visual features and overlook the attribute information contained in the textual descriptions, and perform weakly for products in image less important industries like machinery, hardware tools and electronic component, even if an additional text matching module is added. In this paper, we propose a unified vision-language modeling method for e-commerce same-style products retrieval, which is designed to represent one product with its textual descriptions and visual contents. It contains one sampling skill to collect positive pairs from user click log with category and relevance constrained, and a novel contrastive loss unit to model the image, text, and image+text representations into one joint embedding space. It is capable of cross-modal product-to-product retrieval, as well as style transfer and user-interactive search. Offline evaluations on annotated data demonstrate its superior retrieval performance, and online testings show it can attract more clicks and conversions. Moreover, this model has already been deployed online for similar products retrieval in alibaba.com, the largest B2B e-commerce platform in the world.

We address the problem of aligning real-world 3D data of garments, which benefits many applications such as texture learning, physical parameter estimation, generative modeling of garments, etc. Existing extrinsic methods typically perform non-rigid iterative closest point and struggle to align details due to incorrect closest matches and rigidity constraints. While intrinsic methods based on functional maps can produce high-quality correspondences, they work under isometric assumptions and become unreliable for garment deformations which are highly non-isometric. To achieve wrinkle-level as well as texture-level alignment, we present a novel coarse-to-fine two-stage method that leverages intrinsic manifold properties with two neural deformation fields, in the 3D space and the intrinsic space, respectively. The coarse stage performs a 3D fitting, where we leverage intrinsic manifold properties to define a manifold deformation field. The coarse fitting then induces a functional map that produces an alignment of intrinsic embeddings. We further refine the intrinsic alignment with a second neural deformation field for higher accuracy. We evaluate our method with our captured garment dataset, GarmCap. The method achieves accurate wrinkle-level and texture-level alignment and works for difficult garment types such as long coats. Our project page is https://jsnln.github.io/iccv2023_intrinsic/index.html.

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (up to 15%) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

Attributes act as intermediate representations that enable parameter sharing between classes, a must when training data is scarce. We propose to view attribute-based image classification as a label-embedding problem: each class is embedded in the space of attribute vectors. We introduce a function that measures the compatibility between an image and a label embedding. The parameters of this function are learned on a training set of labeled samples to ensure that, given an image, the correct classes rank higher than the incorrect ones. Results on the Animals With Attributes and Caltech-UCSD-Birds datasets show that the proposed framework outperforms the standard Direct Attribute Prediction baseline in a zero-shot learning scenario. Label embedding enjoys a built-in ability to leverage alternative sources of information instead of or in addition to attributes, such as e.g. class hierarchies or textual descriptions. Moreover, label embedding encompasses the whole range of learning settings from zero-shot learning to regular learning with a large number of labeled examples.

How much private information do text embeddings reveal about the original text? We investigate the problem of embedding inversion, reconstructing the full text represented in dense text embeddings. We frame the problem as controlled generation: generating text that, when reembedded, is close to a fixed point in latent space. We find that although a na\"ive model conditioned on the embedding performs poorly, a multi-step method that iteratively corrects and re-embeds text is able to recover 92% of 32-token text inputs exactly. We train our model to decode text embeddings from two state-of-the-art embedding models, and also show that our model can recover important personal information (full names) from a dataset of clinical notes. Our code is available on Github: https://github.com/jxmorris12/vec2text{github.com/jxmorris12/vec2text}.

We present a simple picture of the training process of joint embedding self-supervised learning methods. We find that these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this conclusion via the study of a linearized model of Barlow Twins applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of this model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a stepwise fashion, and obtain a closed-form expression for the final learned representations. Remarkably, we then see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. Our theory suggests that, just as kernel regression can be thought of as a model of supervised learning, kernel PCA may serve as a useful model of self-supervised learning.

Many studies in vision tasks have aimed to create effective embedding spaces for single-label object prediction within an image. However, in reality, most objects possess multiple specific attributes, such as shape, color, and length, with each attribute composed of various classes. To apply models in real-world scenarios, it is essential to be able to distinguish between the granular components of an object. Conventional approaches to embedding multiple specific attributes into a single network often result in entanglement, where fine-grained features of each attribute cannot be identified separately. To address this problem, we propose a Conditional Cross-Attention Network that induces disentangled multi-space embeddings for various specific attributes with only a single backbone. Firstly, we employ a cross-attention mechanism to fuse and switch the information of conditions (specific attributes), and we demonstrate its effectiveness through a diverse visualization example. Secondly, we leverage the vision transformer for the first time to a fine-grained image retrieval task and present a simple yet effective framework compared to existing methods. Unlike previous studies where performance varied depending on the benchmark dataset, our proposed method achieved consistent state-of-the-art performance on the FashionAI, DARN, DeepFashion, and Zappos50K benchmark datasets.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

Personalized text-to-image generation has attracted unprecedented attention in the recent few years due to its unique capability of generating highly-personalized images via using the input concept dataset and novel textual prompt. However, previous methods solely focus on the performance of the reconstruction task, degrading its ability to combine with different textual prompt. Besides, optimizing in the high-dimensional embedding space usually leads to unnecessary time-consuming training process and slow convergence. To address these issues, we propose an efficient method to explore the target embedding in a textual subspace, drawing inspiration from the self-expressiveness property. Additionally, we propose an efficient selection strategy for determining the basis vectors of the textual subspace. The experimental evaluations demonstrate that the learned embedding can not only faithfully reconstruct input image, but also significantly improves its alignment with novel input textual prompt. Furthermore, we observe that optimizing in the textual subspace leads to an significant improvement of the robustness to the initial word, relaxing the constraint that requires users to input the most relevant initial word. Our method opens the door to more efficient representation learning for personalized text-to-image generation.

Recent advances in text-to-image models have opened new frontiers in human-centric generation. However, these models cannot be directly employed to generate images with consistent newly coined identities. In this work, we propose CharacterFactory, a framework that allows sampling new characters with consistent identities in the latent space of GANs for diffusion models. More specifically, we consider the word embeddings of celeb names as ground truths for the identity-consistent generation task and train a GAN model to learn the mapping from a latent space to the celeb embedding space. In addition, we design a context-consistent loss to ensure that the generated identity embeddings can produce identity-consistent images in various contexts. Remarkably, the whole model only takes 10 minutes for training, and can sample infinite characters end-to-end during inference. Extensive experiments demonstrate excellent performance of the proposed CharacterFactory on character creation in terms of identity consistency and editability. Furthermore, the generated characters can be seamlessly combined with the off-the-shelf image/video/3D diffusion models. We believe that the proposed CharacterFactory is an important step for identity-consistent character generation. Project page is available at: https://qinghew.github.io/CharacterFactory/.

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling. Previous works have focused on embedding dynamical systems into networks through two approaches: learning a single solution operator (i.e., the mapping from input parametrized functions to solutions) or learning the governing system of equations (i.e., the constitutive model relative to the state variables). Both of these approaches yield different representations for the same underlying data or function. Additionally, observing that families of differential equations often share key characteristics, we seek one network representation across a wide range of equations. Our method, called Predicting Operators and Symbolic Expressions (PROSE), learns maps from multimodal inputs to multimodal outputs, capable of generating both numerical predictions and mathematical equations. By using a transformer structure and a feature fusion approach, our network can simultaneously embed sets of solution operators for various parametric differential equations using a single trained network. Detailed experiments demonstrate that the network benefits from its multimodal nature, resulting in improved prediction accuracy and better generalization. The network is shown to be able to handle noise in the data and errors in the symbolic representation, including noisy numerical values, model misspecification, and erroneous addition or deletion of terms. PROSE provides a new neural network framework for differential equations which allows for more flexibility and generality in learning operators and governing equations from data.

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

Text embeddings are essential for many tasks, such as document retrieval, clustering, and semantic similarity assessment. In this paper, we study how to contrastively train text embedding models in a compute-optimal fashion, given a suite of pre-trained decoder-only language models. Our innovation is an algorithm that produces optimal configurations of model sizes, data quantities, and fine-tuning methods for text-embedding models at different computational budget levels. The resulting recipe, which we obtain through extensive experiments, can be used by practitioners to make informed design choices for their embedding models. Specifically, our findings suggest that full fine-tuning and low-rank adaptation fine-tuning produce optimal models at lower and higher computational budgets respectively.

This work proposes a novel representation of injective deformations of 3D space, which overcomes existing limitations of injective methods: inaccuracy, lack of robustness, and incompatibility with general learning and optimization frameworks. The core idea is to reduce the problem to a deep composition of multiple 2D mesh-based piecewise-linear maps. Namely, we build differentiable layers that produce mesh deformations through Tutte's embedding (guaranteed to be injective in 2D), and compose these layers over different planes to create complex 3D injective deformations of the 3D volume. We show our method provides the ability to efficiently and accurately optimize and learn complex deformations, outperforming other injective approaches. As a main application, we produce complex and artifact-free NeRF and SDF deformations.

Recent advances in tuning-free personalized image generation based on diffusion models are impressive. However, to improve subject fidelity, existing methods either retrain the diffusion model or infuse it with dense visual embeddings, both of which suffer from poor generalization and efficiency. Also, these methods falter in multi-subject image generation due to the unconstrained cross-attention mechanism. In this paper, we propose MM-Diff, a unified and tuning-free image personalization framework capable of generating high-fidelity images of both single and multiple subjects in seconds. Specifically, to simultaneously enhance text consistency and subject fidelity, MM-Diff employs a vision encoder to transform the input image into CLS and patch embeddings. CLS embeddings are used on the one hand to augment the text embeddings, and on the other hand together with patch embeddings to derive a small number of detail-rich subject embeddings, both of which are efficiently integrated into the diffusion model through the well-designed multimodal cross-attention mechanism. Additionally, MM-Diff introduces cross-attention map constraints during the training phase, ensuring flexible multi-subject image sampling during inference without any predefined inputs (e.g., layout). Extensive experiments demonstrate the superior performance of MM-Diff over other leading methods.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main

A creative idea is often born from transforming, combining, and modifying ideas from existing visual examples capturing various concepts. However, one cannot simply copy the concept as a whole, and inspiration is achieved by examining certain aspects of the concept. Hence, it is often necessary to separate a concept into different aspects to provide new perspectives. In this paper, we propose a method to decompose a visual concept, represented as a set of images, into different visual aspects encoded in a hierarchical tree structure. We utilize large vision-language models and their rich latent space for concept decomposition and generation. Each node in the tree represents a sub-concept using a learned vector embedding injected into the latent space of a pretrained text-to-image model. We use a set of regularizations to guide the optimization of the embedding vectors encoded in the nodes to follow the hierarchical structure of the tree. Our method allows to explore and discover new concepts derived from the original one. The tree provides the possibility of endless visual sampling at each node, allowing the user to explore the hidden sub-concepts of the object of interest. The learned aspects in each node can be combined within and across trees to create new visual ideas, and can be used in natural language sentences to apply such aspects to new designs.

Relative positional embeddings (RPE) have received considerable attention since RPEs effectively model the relative distance among tokens and enable length extrapolation. We propose KERPLE, a framework that generalizes relative position embedding for extrapolation by kernelizing positional differences. We achieve this goal using conditionally positive definite (CPD) kernels, a class of functions known for generalizing distance metrics. To maintain the inner product interpretation of self-attention, we show that a CPD kernel can be transformed into a PD kernel by adding a constant offset. This offset is implicitly absorbed in the Softmax normalization during self-attention. The diversity of CPD kernels allows us to derive various RPEs that enable length extrapolation in a principled way. Experiments demonstrate that the logarithmic variant achieves excellent extrapolation performance on three large language modeling datasets. Our implementation and pretrained checkpoints are released at https://github.com/chijames/KERPLE.git.

Training visual embeddings with labeled data supervision has been the de facto setup for representation learning in computer vision. Inspired by recent success of adopting masked image modeling (MIM) in self-supervised representation learning, we propose a simple yet effective setup that can easily integrate MIM into existing supervised training paradigms. In our design, in addition to the original classification task applied to a vision transformer image encoder, we add a shallow transformer-based decoder on top of the encoder and introduce an MIM task which tries to reconstruct image tokens based on masked image inputs. We show with minimal change in architecture and no overhead in inference that this setup is able to improve the quality of the learned representations for downstream tasks such as classification, image retrieval, and semantic segmentation. We conduct a comprehensive study and evaluation of our setup on public benchmarks. On ImageNet-1k, our ViT-B/14 model achieves 81.72% validation accuracy, 2.01% higher than the baseline model. On K-Nearest-Neighbor image retrieval evaluation with ImageNet-1k, the same model outperforms the baseline by 1.32%. We also show that this setup can be easily scaled to larger models and datasets. Code and checkpoints will be released.

The rapidly evolving fields of e-commerce and metaverse continue to seek innovative approaches to enhance the consumer experience. At the same time, recent advancements in the development of diffusion models have enabled generative networks to create remarkably realistic images. In this context, image-based virtual try-on, which consists in generating a novel image of a target model wearing a given in-shop garment, has yet to capitalize on the potential of these powerful generative solutions. This work introduces LaDI-VTON, the first Latent Diffusion textual Inversion-enhanced model for the Virtual Try-ON task. The proposed architecture relies on a latent diffusion model extended with a novel additional autoencoder module that exploits learnable skip connections to enhance the generation process preserving the model's characteristics. To effectively maintain the texture and details of the in-shop garment, we propose a textual inversion component that can map the visual features of the garment to the CLIP token embedding space and thus generate a set of pseudo-word token embeddings capable of conditioning the generation process. Experimental results on Dress Code and VITON-HD datasets demonstrate that our approach outperforms the competitors by a consistent margin, achieving a significant milestone for the task. Source code and trained models are publicly available at: https://github.com/miccunifi/ladi-vton.

Embedding models have been crucial in enabling various downstream tasks such as semantic similarity, information retrieval, and clustering. Recently, there has been a surge of interest in developing universal text embedding models that can generalize across tasks (e.g., MTEB). However, progress in learning universal multimodal embedding models has been relatively slow despite their importance. In this work, we aim to explore the potential for building universal embeddings capable of handling a wide range of downstream tasks. Our contributions are twofold: (1) MMEB (Massive Multimodal Embedding Benchmark), which covers 4 meta-tasks (i.e. classification, visual question answering, multimodal retrieval, and visual grounding) and 36 datasets, including 20 training and 16 evaluation datasets, and (2) VLM2Vec (Vision-Language Model -> Vector), a contrastive training framework that converts any state-of-the-art vision-language model into an embedding model via training on MMEB. Unlike previous models such as CLIP and BLIP, VLM2Vec can process any combination of images and text to generate a fixed-dimensional vector based on task instructions. We build a series of VLM2Vec models on Phi-3.5-V and evaluate them on MMEB's evaluation split. Our results show that \model achieves an absolute average improvement of 10% to 20% over existing multimodal embedding models on both in-distribution and out-of-distribution datasets in MMEB.

In this paper, we present Surf-D, a novel method for generating high-quality 3D shapes as Surfaces with arbitrary topologies using Diffusion models. Specifically, we adopt Unsigned Distance Field (UDF) as the surface representation, as it excels in handling arbitrary topologies, enabling the generation of complex shapes. While the prior methods explored shape generation with different representations, they suffer from limited topologies and geometry details. Moreover, it's non-trivial to directly extend prior diffusion models to UDF because they lack spatial continuity due to the discrete volume structure. However, UDF requires accurate gradients for mesh extraction and learning. To tackle the issues, we first leverage a point-based auto-encoder to learn a compact latent space, which supports gradient querying for any input point through differentiation to effectively capture intricate geometry at a high resolution. Since the learning difficulty for various shapes can differ, a curriculum learning strategy is employed to efficiently embed various surfaces, enhancing the whole embedding process. With pretrained shape latent space, we employ a latent diffusion model to acquire the distribution of various shapes. Our approach demonstrates superior performance in shape generation across multiple modalities and conducts extensive experiments in unconditional generation, category conditional generation, 3D reconstruction from images, and text-to-shape tasks.

Subject-driven text-to-image generation aims to generate customized images of the given subject based on the text descriptions, which has drawn increasing attention. Existing methods mainly resort to finetuning a pretrained generative model, where the identity-relevant information (e.g., the boy) and the identity-irrelevant information (e.g., the background or the pose of the boy) are entangled in the latent embedding space. However, the highly entangled latent embedding may lead to the failure of subject-driven text-to-image generation as follows: (i) the identity-irrelevant information hidden in the entangled embedding may dominate the generation process, resulting in the generated images heavily dependent on the irrelevant information while ignoring the given text descriptions; (ii) the identity-relevant information carried in the entangled embedding can not be appropriately preserved, resulting in identity change of the subject in the generated images. To tackle the problems, we propose DisenBooth, an identity-preserving disentangled tuning framework for subject-driven text-to-image generation. Specifically, DisenBooth finetunes the pretrained diffusion model in the denoising process. Different from previous works that utilize an entangled embedding to denoise each image, DisenBooth instead utilizes disentangled embeddings to respectively preserve the subject identity and capture the identity-irrelevant information. We further design the novel weak denoising and contrastive embedding auxiliary tuning objectives to achieve the disentanglement. Extensive experiments show that our proposed DisenBooth framework outperforms baseline models for subject-driven text-to-image generation with the identity-preserved embedding. Additionally, by combining the identity-preserved embedding and identity-irrelevant embedding, DisenBooth demonstrates more generation flexibility and controllability

Click-through rate prediction is an essential task in industrial applications, such as online advertising. Recently deep learning based models have been proposed, which follow a similar Embedding\&MLP paradigm. In these methods large scale sparse input features are first mapped into low dimensional embedding vectors, and then transformed into fixed-length vectors in a group-wise manner, finally concatenated together to fed into a multilayer perceptron (MLP) to learn the nonlinear relations among features. In this way, user features are compressed into a fixed-length representation vector, in regardless of what candidate ads are. The use of fixed-length vector will be a bottleneck, which brings difficulty for Embedding\&MLP methods to capture user's diverse interests effectively from rich historical behaviors. In this paper, we propose a novel model: Deep Interest Network (DIN) which tackles this challenge by designing a local activation unit to adaptively learn the representation of user interests from historical behaviors with respect to a certain ad. This representation vector varies over different ads, improving the expressive ability of model greatly. Besides, we develop two techniques: mini-batch aware regularization and data adaptive activation function which can help training industrial deep networks with hundreds of millions of parameters. Experiments on two public datasets as well as an Alibaba real production dataset with over 2 billion samples demonstrate the effectiveness of proposed approaches, which achieve superior performance compared with state-of-the-art methods. DIN now has been successfully deployed in the online display advertising system in Alibaba, serving the main traffic.

Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima forces augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks, and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE.

Metric learning involves learning a discriminative representation such that embeddings of similar classes are encouraged to be close, while embeddings of dissimilar classes are pushed far apart. State-of-the-art methods focus mostly on sophisticated loss functions or mining strategies. On the one hand, metric learning losses consider two or more examples at a time. On the other hand, modern data augmentation methods for classification consider two or more examples at a time. The combination of the two ideas is under-studied. In this work, we aim to bridge this gap and improve representations using mixup, which is a powerful data augmentation approach interpolating two or more examples and corresponding target labels at a time. This task is challenging because unlike classification, the loss functions used in metric learning are not additive over examples, so the idea of interpolating target labels is not straightforward. To the best of our knowledge, we are the first to investigate mixing both examples and target labels for deep metric learning. We develop a generalized formulation that encompasses existing metric learning loss functions and modify it to accommodate for mixup, introducing Metric Mix, or Metrix. We also introduce a new metric - utilization, to demonstrate that by mixing examples during training, we are exploring areas of the embedding space beyond the training classes, thereby improving representations. To validate the effect of improved representations, we show that mixing inputs, intermediate representations or embeddings along with target labels significantly outperforms state-of-the-art metric learning methods on four benchmark deep metric learning datasets.

Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate change. These calculations are traditionally performed using Density Functional Theory, which is computationally very expensive. Machine learning has the potential to dramatically improve the efficiency of these calculations from days or hours to seconds. We propose the Spherical Channel Network (SCN) to model atomic energies and forces. The SCN is a graph neural network where nodes represent atoms and edges their neighboring atoms. The atom embeddings are a set of spherical functions, called spherical channels, represented using spherical harmonics. We demonstrate, that by rotating the embeddings based on the 3D edge orientation, more information may be utilized while maintaining the rotational equivariance of the messages. While equivariance is a desirable property, we find that by relaxing this constraint in both message passing and aggregation, improved accuracy may be achieved. We demonstrate state-of-the-art results on the large-scale Open Catalyst dataset in both energy and force prediction for numerous tasks and metrics.

The optimal transport problem for measures supported on non-Euclidean spaces has recently gained ample interest in diverse applications involving representation learning. In this paper, we focus on circular probability measures, i.e., probability measures supported on the unit circle, and introduce a new computationally efficient metric for these measures, denoted as Linear Circular Optimal Transport (LCOT). The proposed metric comes with an explicit linear embedding that allows one to apply Machine Learning (ML) algorithms to the embedded measures and seamlessly modify the underlying metric for the ML algorithm to LCOT. We show that the proposed metric is rooted in the Circular Optimal Transport (COT) and can be considered the linearization of the COT metric with respect to a fixed reference measure. We provide a theoretical analysis of the proposed metric and derive the computational complexities for pairwise comparison of circular probability measures. Lastly, through a set of numerical experiments, we demonstrate the benefits of LCOT in learning representations of circular measures.

Although data diffusion embeddings are ubiquitous in unsupervised learning and have proven to be a viable technique for uncovering the underlying intrinsic geometry of data, diffusion embeddings are inherently limited due to their discrete nature. To this end, we propose neural FIM, a method for computing the Fisher information metric (FIM) from point cloud data - allowing for a continuous manifold model for the data. Neural FIM creates an extensible metric space from discrete point cloud data such that information from the metric can inform us of manifold characteristics such as volume and geodesics. We demonstrate Neural FIM's utility in selecting parameters for the PHATE visualization method as well as its ability to obtain information pertaining to local volume illuminating branching points and cluster centers embeddings of a toy dataset and two single-cell datasets of IPSC reprogramming and PBMCs (immune cells).

Multimodal Attributed Graphs (MAGs) are ubiquitous in real-world applications, encompassing extensive knowledge through multimodal attributes attached to nodes (e.g., texts and images) and topological structure representing node interactions. Despite its potential to advance diverse research fields like social networks and e-commerce, MAG representation learning (MAGRL) remains underexplored due to the lack of standardized datasets and evaluation frameworks. In this paper, we first propose MAGB, a comprehensive MAG benchmark dataset, featuring curated graphs from various domains with both textual and visual attributes. Based on MAGB dataset, we further systematically evaluate two mainstream MAGRL paradigms: GNN-as-Predictor, which integrates multimodal attributes via Graph Neural Networks (GNNs), and VLM-as-Predictor, which harnesses Vision Language Models (VLMs) for zero-shot reasoning. Extensive experiments on MAGB reveal following critical insights: (i) Modality significances fluctuate drastically with specific domain characteristics. (ii) Multimodal embeddings can elevate the performance ceiling of GNNs. However, intrinsic biases among modalities may impede effective training, particularly in low-data scenarios. (iii) VLMs are highly effective at generating multimodal embeddings that alleviate the imbalance between textual and visual attributes. These discoveries, which illuminate the synergy between multimodal attributes and graph topologies, contribute to reliable benchmarks, paving the way for future MAG research. The MAGB dataset and evaluation pipeline are publicly available at https://github.com/sktsherlock/MAGB.

Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated training data tailored to a given setting, one may instead wish to learn useful information from heterogeneous sources, or from real dynamical systems observations that are messy or incomplete. In this work, we learn general-purpose representations of PDEs from heterogeneous data by implementing joint embedding methods for self-supervised learning (SSL), a framework for unsupervised representation learning that has had notable success in computer vision. Our representation outperforms baseline approaches to invariant tasks, such as regressing the coefficients of a PDE, while also improving the time-stepping performance of neural solvers. We hope that our proposed methodology will prove useful in the eventual development of general-purpose foundation models for PDEs.

E-commerce platforms should provide detailed product descriptions (attribute values) for effective product search and recommendation. However, attribute value information is typically not available for new products. To predict unseen attribute values, large quantities of labeled training data are needed to train a traditional supervised learning model. Typically, it is difficult, time-consuming, and costly to manually label large quantities of new product profiles. In this paper, we propose a novel method to efficiently and effectively extract unseen attribute values from new products in the absence of labeled data (zero-shot setting). We propose HyperPAVE, a multi-label zero-shot attribute value extraction model that leverages inductive inference in heterogeneous hypergraphs. In particular, our proposed technique constructs heterogeneous hypergraphs to capture complex higher-order relations (i.e. user behavior information) to learn more accurate feature representations for graph nodes. Furthermore, our proposed HyperPAVE model uses an inductive link prediction mechanism to infer future connections between unseen nodes. This enables HyperPAVE to identify new attribute values without the need for labeled training data. We conduct extensive experiments with ablation studies on different categories of the MAVE dataset. The results demonstrate that our proposed HyperPAVE model significantly outperforms existing classification-based, generation-based large language models for attribute value extraction in the zero-shot setting.

Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures. To address this issue, we introduce Sequential Attachment-based Fragment Embedding (SAFE), a novel line notation for chemical structures. SAFE reimagines SMILES strings as an unordered sequence of interconnected fragment blocks while maintaining full compatibility with existing SMILES parsers. It streamlines complex generative tasks, including scaffold decoration, fragment linking, polymer generation, and scaffold hopping, while facilitating autoregressive generation for fragment-constrained design, thereby eliminating the need for intricate decoding or graph-based models. We demonstrate the effectiveness of SAFE by training an 87-million-parameter GPT2-like model on a dataset containing 1.1 billion SAFE representations. Through extensive experimentation, we show that our SAFE-GPT model exhibits versatile and robust optimization performance. SAFE opens up new avenues for the rapid exploration of chemical space under various constraints, promising breakthroughs in AI-driven molecular design.

Implicit representation of an image can map arbitrary coordinates in the continuous domain to their corresponding color values, presenting a powerful capability for image reconstruction. Nevertheless, existing implicit representation approaches only focus on building continuous appearance mapping, ignoring the continuities of the semantic information across pixels. As a result, they can hardly achieve desired reconstruction results when the semantic information within input images is corrupted, for example, a large region misses. To address the issue, we propose to learn semantic-aware implicit representation (SAIR), that is, we make the implicit representation of each pixel rely on both its appearance and semantic information (\eg, which object does the pixel belong to). To this end, we propose a framework with two modules: (1) building a semantic implicit representation (SIR) for a corrupted image whose large regions miss. Given an arbitrary coordinate in the continuous domain, we can obtain its respective text-aligned embedding indicating the object the pixel belongs. (2) building an appearance implicit representation (AIR) based on the SIR. Given an arbitrary coordinate in the continuous domain, we can reconstruct its color whether or not the pixel is missed in the input. We validate the novel semantic-aware implicit representation method on the image inpainting task, and the extensive experiments demonstrate that our method surpasses state-of-the-art approaches by a significant margin.

Object appearances change dramatically with pose variations. This creates a challenge for embedding schemes that seek to map instances with the same object ID to locations that are as close as possible. This issue becomes significantly heightened in complex computer vision tasks such as re-identification(reID). In this paper, we suggest that these dramatic appearance changes are indications that an object ID is composed of multiple natural groups, and it is counterproductive to forcefully map instances from different groups to a common location. This leads us to introduce Relation Preserving Triplet Mining (RPTM), a feature-matching guided triplet mining scheme, that ensures that triplets will respect the natural subgroupings within an object ID. We use this triplet mining mechanism to establish a pose-aware, well-conditioned triplet loss by implicitly enforcing view consistency. This allows a single network to be trained with fixed parameters across datasets while providing state-of-the-art results. Code is available at https://github.com/adhirajghosh/RPTM_reid.

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x in R^d per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality epsilon-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5times fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

We introduce a new generative model that combines latent diffusion with persistent homology to create 3D shapes with high diversity, with a special emphasis on their topological characteristics. Our method involves representing 3D shapes as implicit fields, then employing persistent homology to extract topological features, including Betti numbers and persistence diagrams. The shape generation process consists of two steps. Initially, we employ a transformer-based autoencoding module to embed the implicit representation of each 3D shape into a set of latent vectors. Subsequently, we navigate through the learned latent space via a diffusion model. By strategically incorporating topological features into the diffusion process, our generative module is able to produce a richer variety of 3D shapes with different topological structures. Furthermore, our framework is flexible, supporting generation tasks constrained by a variety of inputs, including sparse and partial point clouds, as well as sketches. By modifying the persistence diagrams, we can alter the topology of the shapes generated from these input modalities.

Detecting surface anomalies of industrial materials poses a significant challenge within a myriad of industrial manufacturing processes. In recent times, various methodologies have emerged, capitalizing on the advantages of employing a network pre-trained on natural images for the extraction of representative features. Subsequently, these features are subjected to processing through a diverse range of techniques including memory banks, normalizing flow, and knowledge distillation, which have exhibited exceptional accuracy. This paper revisits approaches based on pre-trained features by introducing a novel method centered on target-specific embedding. To capture the most representative features of the texture under consideration, we employ a variant of a contrastive training procedure that incorporates both artificially generated defective samples and anomaly-free samples during training. Exploiting the intrinsic properties of surfaces, we derived a meaningful representation from the defect-free samples during training, facilitating a straightforward yet effective calculation of anomaly scores. The experiments conducted on the MVTEC AD and TILDA datasets demonstrate the competitiveness of our approach compared to state-of-the-art methods.

Contrastive learning, a prominent approach to representation learning, traditionally assumes positive pairs are closely related samples (the same image or class) and negative pairs are distinct samples. We challenge this assumption by proposing to learn from arbitrary pairs, allowing any pair of samples to be positive within our framework.The primary challenge of the proposed approach lies in applying contrastive learning to disparate pairs which are semantically distant. Motivated by the discovery that SimCLR can separate given arbitrary pairs (e.g., garter snake and table lamp) in a subspace, we propose a feature filter in the condition of class pairs that creates the requisite subspaces by gate vectors selectively activating or deactivating dimensions. This filter can be optimized through gradient descent within a conventional contrastive learning mechanism. We present Hydra, a universal contrastive learning framework for visual representations that extends conventional contrastive learning to accommodate arbitrary pairs. Our approach is validated using IN1K, where 1K diverse classes compose 500,500 pairs, most of them being distinct. Surprisingly, Hydra achieves superior performance in this challenging setting. Additional benefits include the prevention of dimensional collapse and the discovery of class relationships. Our work highlights the value of learning common features of arbitrary pairs and potentially broadens the applicability of contrastive learning techniques on the sample pairs with weak relationships.

The ability to synthesize personalized group photos and specify the positions of each identity offers immense creative potential. While such imagery can be visually appealing, it presents significant challenges for existing technologies. A persistent issue is identity (ID) leakage, where injected facial features interfere with one another, resulting in low face resemblance, incorrect positioning, and visual artifacts. Existing methods suffer from limitations such as the reliance on segmentation models, increased runtime, or a high probability of ID leakage. To address these challenges, we propose ID-Patch, a novel method that provides robust association between identities and 2D positions. Our approach generates an ID patch and ID embeddings from the same facial features: the ID patch is positioned on the conditional image for precise spatial control, while the ID embeddings integrate with text embeddings to ensure high resemblance. Experimental results demonstrate that ID-Patch surpasses baseline methods across metrics, such as face ID resemblance, ID-position association accuracy, and generation efficiency. Project Page is: https://byteaigc.github.io/ID-Patch/

Text-to-image (T2I) models can effectively capture the content or style of reference images to perform high-quality customization. A representative technique for this is fine-tuning using low-rank adaptations (LoRA), which enables efficient model customization with reference images. However, fine-tuning with a limited number of reference images often leads to overfitting, resulting in issues such as prompt misalignment or content leakage. These issues prevent the model from accurately following the input prompt or generating undesired objects during inference. To address this problem, we examine the text embeddings that guide the diffusion model during inference. This study decomposes the text embedding matrix and conducts a component analysis to understand the embedding space geometry and identify the cause of overfitting. Based on this, we propose DECOR, which projects text embeddings onto a vector space orthogonal to undesired token vectors, thereby reducing the influence of unwanted semantics in the text embeddings. Experimental results demonstrate that DECOR outperforms state-of-the-art customization models and achieves Pareto frontier performance across text and visual alignment evaluation metrics. Furthermore, it generates images more faithful to the input prompts, showcasing its effectiveness in addressing overfitting and enhancing text-to-image customization.

Text-to-image diffusion models particularly Stable Diffusion, have revolutionized the field of computer vision. However, the synthesis quality often deteriorates when asked to generate images that faithfully represent complex prompts involving multiple attributes and objects. While previous studies suggest that blended text embeddings lead to improper attribute binding, few have explored this in depth. In this work, we critically examine the limitations of the CLIP text encoder in understanding attributes and investigate how this affects diffusion models. We discern a phenomenon of attribute bias in the text space and highlight a contextual issue in padding embeddings that entangle different concepts. We propose Magnet, a novel training-free approach to tackle the attribute binding problem. We introduce positive and negative binding vectors to enhance disentanglement, further with a neighbor strategy to increase accuracy. Extensive experiments show that Magnet significantly improves synthesis quality and binding accuracy with negligible computational cost, enabling the generation of unconventional and unnatural concepts.

This paper presents a powerful framework to customize video creations by incorporating multiple specific identity (ID) photos, with video diffusion Transformers, referred to as Ingredients. Generally, our method consists of three primary modules: (i) a facial extractor that captures versatile and precise facial features for each human ID from both global and local perspectives; (ii) a multi-scale projector that maps face embeddings into the contextual space of image query in video diffusion transformers; (iii) an ID router that dynamically combines and allocates multiple ID embedding to the corresponding space-time regions. Leveraging a meticulously curated text-video dataset and a multi-stage training protocol, Ingredients demonstrates superior performance in turning custom photos into dynamic and personalized video content. Qualitative evaluations highlight the advantages of proposed method, positioning it as a significant advancement toward more effective generative video control tools in Transformer-based architecture, compared to existing methods. The data, code, and model weights are publicly available at: https://github.com/feizc/Ingredients.

Text-to-image diffusion models have remarkably excelled in producing diverse, high-quality, and photo-realistic images. This advancement has spurred a growing interest in incorporating specific identities into generated content. Most current methods employ an inversion approach to embed a target visual concept into the text embedding space using a single reference image. However, the newly synthesized faces either closely resemble the reference image in terms of facial attributes, such as expression, or exhibit a reduced capacity for identity preservation. Text descriptions intended to guide the facial attributes of the synthesized face may fall short, owing to the intricate entanglement of identity information with identity-irrelevant facial attributes derived from the reference image. To address these issues, we present the novel use of the extended StyleGAN embedding space W_+, to achieve enhanced identity preservation and disentanglement for diffusion models. By aligning this semantically meaningful human face latent space with text-to-image diffusion models, we succeed in maintaining high fidelity in identity preservation, coupled with the capacity for semantic editing. Additionally, we propose new training objectives to balance the influences of both prompt and identity conditions, ensuring that the identity-irrelevant background remains unaffected during facial attribute modifications. Extensive experiments reveal that our method adeptly generates personalized text-to-image outputs that are not only compatible with prompt descriptions but also amenable to common StyleGAN editing directions in diverse settings. Our source code will be available at https://github.com/csxmli2016/w-plus-adapter.

Text-guided image-to-image diffusion models excel in translating images based on textual prompts, allowing for precise and creative visual modifications. However, such a powerful technique can be misused for spreading misinformation, infringing on copyrights, and evading content tracing. This motivates us to introduce the task of origin IDentification for text-guided Image-to-image Diffusion models (ID^2), aiming to retrieve the original image of a given translated query. A straightforward solution to ID^2 involves training a specialized deep embedding model to extract and compare features from both query and reference images. However, due to visual discrepancy across generations produced by different diffusion models, this similarity-based approach fails when training on images from one model and testing on those from another, limiting its effectiveness in real-world applications. To solve this challenge of the proposed ID^2 task, we contribute the first dataset and a theoretically guaranteed method, both emphasizing generalizability. The curated dataset, OriPID, contains abundant Origins and guided Prompts, which can be used to train and test potential IDentification models across various diffusion models. In the method section, we first prove the existence of a linear transformation that minimizes the distance between the pre-trained Variational Autoencoder (VAE) embeddings of generated samples and their origins. Subsequently, it is demonstrated that such a simple linear transformation can be generalized across different diffusion models. Experimental results show that the proposed method achieves satisfying generalization performance, significantly surpassing similarity-based methods (+31.6% mAP), even those with generalization designs.

Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

The inductive bias of a graph neural network (GNN) is largely encoded in its specified graph. Latent graph inference relies on latent geometric representations to dynamically rewire or infer a GNN's graph to maximize the GNN's predictive downstream performance, but it lacks solid theoretical foundations in terms of embedding-based representation guarantees. This paper addresses this issue by introducing a trainable deep learning architecture, coined neural snowflake, that can adaptively implement fractal-like metrics on R^d. We prove that any given finite weights graph can be isometrically embedded by a standard MLP encoder. Furthermore, when the latent graph can be represented in the feature space of a sufficiently regular kernel, we show that the combined neural snowflake and MLP encoder do not succumb to the curse of dimensionality by using only a low-degree polynomial number of parameters in the number of nodes. This implementation enables a low-dimensional isometric embedding of the latent graph. We conduct synthetic experiments to demonstrate the superior metric learning capabilities of neural snowflakes when compared to more familiar spaces like Euclidean space. Additionally, we carry out latent graph inference experiments on graph benchmarks. Consistently, the neural snowflake model achieves predictive performance that either matches or surpasses that of the state-of-the-art latent graph inference models. Importantly, this performance improvement is achieved without requiring random search for optimal latent geometry. Instead, the neural snowflake model achieves this enhancement in a differentiable manner.

Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused on classification tasks using images and language datasets. Therefore, in order to expand the transfer learning scheme to regression tasks, we propose a novel transfer technique based on differential geometry, namely the Geometrically Aligned Transfer Encoder (GATE). In this method, we interpret the latent vectors from the model to exist on a Riemannian curved manifold. We find a proper diffeomorphism between pairs of tasks to ensure that every arbitrary point maps to a locally flat coordinate in the overlapping region, allowing the transfer of knowledge from the source to the target data. This also serves as an effective regularizer for the model to behave in extrapolation regions. In this article, we demonstrate that GATE outperforms conventional methods and exhibits stable behavior in both the latent space and extrapolation regions for various molecular graph datasets.

Deep metric learning has been widely applied in many computer vision tasks, and recently, it is more attractive in zero-shot image retrieval and clustering(ZSRC) where a good embedding is requested such that the unseen classes can be distinguished well. Most existing works deem this 'good' embedding just to be the discriminative one and thus race to devise powerful metric objectives or hard-sample mining strategies for leaning discriminative embedding. However, in this paper, we first emphasize that the generalization ability is a core ingredient of this 'good' embedding as well and largely affects the metric performance in zero-shot settings as a matter of fact. Then, we propose the Energy Confused Adversarial Metric Learning(ECAML) framework to explicitly optimize a robust metric. It is mainly achieved by introducing an interesting Energy Confusion regularization term, which daringly breaks away from the traditional metric learning idea of discriminative objective devising, and seeks to 'confuse' the learned model so as to encourage its generalization ability by reducing overfitting on the seen classes. We train this confusion term together with the conventional metric objective in an adversarial manner. Although it seems weird to 'confuse' the network, we show that our ECAML indeed serves as an efficient regularization technique for metric learning and is applicable to various conventional metric methods. This paper empirically and experimentally demonstrates the importance of learning embedding with good generalization, achieving state-of-the-art performances on the popular CUB, CARS, Stanford Online Products and In-Shop datasets for ZSRC tasks. \textcolor[rgb]{1, 0, 0}{Code available at http://www.bhchen.cn/}.

Deep generative models (DGMs) have been widely developed for graph data. However, much less investigation has been carried out on understanding the latent space of such pretrained graph DGMs. These understandings possess the potential to provide constructive guidelines for crucial tasks, such as graph controllable generation. Thus in this work, we are interested in studying this problem and propose GraphCG, a method for the unsupervised discovery of steerable factors in the latent space of pretrained graph DGMs. We first examine the representation space of three pretrained graph DGMs with six disentanglement metrics, and we observe that the pretrained representation space is entangled. Motivated by this observation, GraphCG learns the steerable factors via maximizing the mutual information between semantic-rich directions, where the controlled graph moving along the same direction will share the same steerable factors. We quantitatively verify that GraphCG outperforms four competitive baselines on two graph DGMs pretrained on two molecule datasets. Additionally, we qualitatively illustrate seven steerable factors learned by GraphCG on five pretrained DGMs over five graph datasets, including two for molecules and three for point clouds.

For convolutional neural network models that optimize an image embedding, we propose a method to highlight the regions of images that contribute most to pairwise similarity. This work is a corollary to the visualization tools developed for classification networks, but applicable to the problem domains better suited to similarity learning. The visualization shows how similarity networks that are fine-tuned learn to focus on different features. We also generalize our approach to embedding networks that use different pooling strategies and provide a simple mechanism to support image similarity searches on objects or sub-regions in the query image.

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.

3D generation has witnessed significant advancements, yet efficiently producing high-quality 3D assets from a single image remains challenging. In this paper, we present a triplane autoencoder, which encodes 3D models into a compact triplane latent space to effectively compress both the 3D geometry and texture information. Within the autoencoder framework, we introduce a 3D-aware cross-attention mechanism, which utilizes low-resolution latent representations to query features from a high-resolution 3D feature volume, thereby enhancing the representation capacity of the latent space. Subsequently, we train a diffusion model on this refined latent space. In contrast to solely relying on image embedding for 3D generation, our proposed method advocates for the simultaneous utilization of both image embedding and shape embedding as conditions. Specifically, the shape embedding is estimated via a diffusion prior model conditioned on the image embedding. Through comprehensive experiments, we demonstrate that our method outperforms state-of-the-art algorithms, achieving superior performance while requiring less training data and time. Our approach enables the generation of high-quality 3D assets in merely 7 seconds on a single A100 GPU.

Several recent publications have proposed methods for mapping images into continuous semantic embedding spaces. In some cases the embedding space is trained jointly with the image transformation. In other cases the semantic embedding space is established by an independent natural language processing task, and then the image transformation into that space is learned in a second stage. Proponents of these image embedding systems have stressed their advantages over the traditional classification framing of image understanding, particularly in terms of the promise for zero-shot learning -- the ability to correctly annotate images of previously unseen object categories. In this paper, we propose a simple method for constructing an image embedding system from any existing image classifier and a semantic word embedding model, which contains the n class labels in its vocabulary. Our method maps images into the semantic embedding space via convex combination of the class label embedding vectors, and requires no additional training. We show that this simple and direct method confers many of the advantages associated with more complex image embedding schemes, and indeed outperforms state of the art methods on the ImageNet zero-shot learning task.

Decoder-only large language model (LLM)-based embedding models are beginning to outperform BERT or T5-based embedding models in general-purpose text embedding tasks, including dense vector-based retrieval. In this work, we introduce the NV-Embed model with a variety of architectural designs and training procedures to significantly enhance the performance of LLM as a versatile embedding model, while maintaining its simplicity and reproducibility. For model architecture, we propose a latent attention layer to obtain pooled embeddings, which consistently improves retrieval and downstream task accuracy compared to mean pooling or using the last <EOS> token embedding from LLMs. To enhance representation learning, we remove the causal attention mask of LLMs during contrastive training. For model training, we introduce a two-stage contrastive instruction-tuning method. It first applies contrastive training with instructions on retrieval datasets, utilizing in-batch negatives and curated hard negative examples. At stage-2, it blends various non-retrieval datasets into instruction tuning, which not only enhances non-retrieval task accuracy but also improves retrieval performance. Combining these techniques, our NV-Embed model, using only publicly available data, has achieved a record-high score of 69.32, ranking No. 1 on the Massive Text Embedding Benchmark (MTEB) (as of May 24, 2024), with 56 tasks, encompassing retrieval, reranking, classification, clustering, and semantic textual similarity tasks. Notably, our model also attains the highest score of 59.36 on 15 retrieval tasks in the MTEB benchmark (also known as BEIR). We will open-source the model at: https://huggingface.co/nvidia/NV-Embed-v1.

Causal representation learning has showed a variety of settings in which we can disentangle latent variables with identifiability guarantees (up to some reasonable equivalence class). Common to all of these approaches is the assumption that (1) the latent variables are represented as d-dimensional vectors, and (2) that the observations are the output of some injective generative function of these latent variables. While these assumptions appear benign, we show that when the observations are of multiple objects, the generative function is no longer injective and disentanglement fails in practice. We can address this failure by combining recent developments in object-centric learning and causal representation learning. By modifying the Slot Attention architecture arXiv:2006.15055, we develop an object-centric architecture that leverages weak supervision from sparse perturbations to disentangle each object's properties. This approach is more data-efficient in the sense that it requires significantly fewer perturbations than a comparable approach that encodes to a Euclidean space and we show that this approach successfully disentangles the properties of a set of objects in a series of simple image-based disentanglement experiments.

Point cloud analysis (such as 3D segmentation and detection) is a challenging task, because of not only the irregular geometries of many millions of unordered points, but also the great variations caused by depth, viewpoint, occlusion, etc. Current studies put much focus on the adaption of neural networks to the complex geometries of point clouds, but are blind to a fundamental question: how to learn an appropriate point embedding space that is aware of both discriminative semantics and challenging variations? As a response, we propose a clustering based supervised learning scheme for point cloud analysis. Unlike current de-facto, scene-wise training paradigm, our algorithm conducts within-class clustering on the point embedding space for automatically discovering subclass patterns which are latent yet representative across scenes. The mined patterns are, in turn, used to repaint the embedding space, so as to respect the underlying distribution of the entire training dataset and improve the robustness to the variations. Our algorithm is principled and readily pluggable to modern point cloud segmentation networks during training, without extra overhead during testing. With various 3D network architectures (i.e., voxel-based, point-based, Transformer-based, automatically searched), our algorithm shows notable improvements on famous point cloud segmentation datasets (i.e.,2.0-2.6% on single-scan and 2.0-2.2% multi-scan of SemanticKITTI, 1.8-1.9% on S3DIS, in terms of mIoU). Our algorithm also demonstrates utility in 3D detection, showing 2.0-3.4% mAP gains on KITTI.

With hundreds of thousands of language models available on Huggingface today, efficiently evaluating and utilizing these models across various downstream, tasks has become increasingly critical. Many existing methods repeatedly learn task-specific representations of Large Language Models (LLMs), which leads to inefficiencies in both time and computational resources. To address this, we propose EmbedLLM, a framework designed to learn compact vector representations, of LLMs that facilitate downstream applications involving many models, such as model routing. We introduce an encoder-decoder approach for learning such embeddings, along with a systematic framework to evaluate their effectiveness. Empirical results show that EmbedLLM outperforms prior methods in model routing both in accuracy and latency. Additionally, we demonstrate that our method can forecast a model's performance on multiple benchmarks, without incurring additional inference cost. Extensive probing experiments validate that the learned embeddings capture key model characteristics, e.g. whether the model is specialized for coding tasks, even without being explicitly trained on them. We open source our dataset, code and embedder to facilitate further research and application.

Zero-shot learning has gained popularity due to its potential to scale recognition models without requiring additional training data. This is usually achieved by associating categories with their semantic information like attributes. However, we believe that the potential offered by this paradigm is not yet fully exploited. In this work, we propose to utilize the structure of the space spanned by the attributes using a set of relations. We devise objective functions to preserve these relations in the embedding space, thereby inducing semanticity to the embedding space. Through extensive experimental evaluation on five benchmark datasets, we demonstrate that inducing semanticity to the embedding space is beneficial for zero-shot learning. The proposed approach outperforms the state-of-the-art on the standard zero-shot setting as well as the more realistic generalized zero-shot setting. We also demonstrate how the proposed approach can be useful for making approximate semantic inferences about an image belonging to a category for which attribute information is not available.

The cascade of 2D geometric transformations were exploited to model relations between entities in a knowledge graph (KG), leading to an effective KG embedding (KGE) model, CompoundE. Furthermore, the rotation in the 3D space was proposed as a new KGE model, Rotate3D, by leveraging its non-commutative property. Inspired by CompoundE and Rotate3D, we leverage 3D compound geometric transformations, including translation, rotation, scaling, reflection, and shear and propose a family of KGE models, named CompoundE3D, in this work. CompoundE3D allows multiple design variants to match rich underlying characteristics of a KG. Since each variant has its own advantages on a subset of relations, an ensemble of multiple variants can yield superior performance. The effectiveness and flexibility of CompoundE3D are experimentally verified on four popular link prediction datasets.

Generative Adversarial Networks (GANs) have shown compelling results in various tasks and applications in recent years. However, mode collapse remains a critical problem in GANs. In this paper, we propose a novel training pipeline to address the mode collapse issue of GANs. Different from existing methods, we propose to generalize the discriminator as feature embedding and maximize the entropy of distributions in the embedding space learned by the discriminator. Specifically, two regularization terms, i.e., Deep Local Linear Embedding (DLLE) and Deep Isometric feature Mapping (DIsoMap), are designed to encourage the discriminator to learn the structural information embedded in the data, such that the embedding space learned by the discriminator can be well-formed. Based on the well-learned embedding space supported by the discriminator, a non-parametric entropy estimator is designed to efficiently maximize the entropy of embedding vectors, playing as an approximation of maximizing the entropy of the generated distribution. By improving the discriminator and maximizing the distance of the most similar samples in the embedding space, our pipeline effectively reduces the mode collapse without sacrificing the quality of generated samples. Extensive experimental results show the effectiveness of our method, which outperforms the GAN baseline, MaF-GAN on CelebA (9.13 vs. 12.43 in FID) and surpasses the recent state-of-the-art energy-based model on the ANIME-FACE dataset (2.80 vs. 2.26 in Inception score). The code is available at https://github.com/HaozheLiu-ST/MEE

A key aspect of text-to-image personalization methods is the manner in which the target concept is represented within the generative process. This choice greatly affects the visual fidelity, downstream editability, and disk space needed to store the learned concept. In this paper, we explore a new text-conditioning space that is dependent on both the denoising process timestep (time) and the denoising U-Net layers (space) and showcase its compelling properties. A single concept in the space-time representation is composed of hundreds of vectors, one for each combination of time and space, making this space challenging to optimize directly. Instead, we propose to implicitly represent a concept in this space by optimizing a small neural mapper that receives the current time and space parameters and outputs the matching token embedding. In doing so, the entire personalized concept is represented by the parameters of the learned mapper, resulting in a compact, yet expressive, representation. Similarly to other personalization methods, the output of our neural mapper resides in the input space of the text encoder. We observe that one can significantly improve the convergence and visual fidelity of the concept by introducing a textual bypass, where our neural mapper additionally outputs a residual that is added to the output of the text encoder. Finally, we show how one can impose an importance-based ordering over our implicit representation, providing users control over the reconstruction and editability of the learned concept using a single trained model. We demonstrate the effectiveness of our approach over a range of concepts and prompts, showing our method's ability to generate high-quality and controllable compositions without fine-tuning any parameters of the generative model itself.

Self-supervision is often used for pre-training to foster performance on a downstream task by constructing meaningful representations of samples. Self-supervised learning (SSL) generally involves generating different views of the same sample and thus requires data augmentations that are challenging to construct for tabular data. This constitutes one of the main challenges of self-supervision for structured data. In the present work, we propose a novel augmentation-free SSL method for tabular data. Our approach, T-JEPA, relies on a Joint Embedding Predictive Architecture (JEPA) and is akin to mask reconstruction in the latent space. It involves predicting the latent representation of one subset of features from the latent representation of a different subset within the same sample, thereby learning rich representations without augmentations. We use our method as a pre-training technique and train several deep classifiers on the obtained representation. Our experimental results demonstrate a substantial improvement in both classification and regression tasks, outperforming models trained directly on samples in their original data space. Moreover, T-JEPA enables some methods to consistently outperform or match the performance of traditional methods likes Gradient Boosted Decision Trees. To understand why, we extensively characterize the obtained representations and show that T-JEPA effectively identifies relevant features for downstream tasks without access to the labels. Additionally, we introduce regularization tokens, a novel regularization method critical for training of JEPA-based models on structured data.

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

This paper introduces GenCorres, a novel unsupervised joint shape matching (JSM) approach. Our key idea is to learn a mesh generator to fit an unorganized deformable shape collection while constraining deformations between adjacent synthetic shapes to preserve geometric structures such as local rigidity and local conformality. GenCorres presents three appealing advantages over existing JSM techniques. First, GenCorres performs JSM among a synthetic shape collection whose size is much bigger than the input shapes and fully leverages the datadriven power of JSM. Second, GenCorres unifies consistent shape matching and pairwise matching (i.e., by enforcing deformation priors between adjacent synthetic shapes). Third, the generator provides a concise encoding of consistent shape correspondences. However, learning a mesh generator from an unorganized shape collection is challenging, requiring a good initialization. GenCorres addresses this issue by learning an implicit generator from the input shapes, which provides intermediate shapes between two arbitrary shapes. We introduce a novel approach for computing correspondences between adjacent implicit surfaces, which we use to regularize the implicit generator. Synthetic shapes of the implicit generator then guide initial fittings (i.e., via template-based deformation) for learning the mesh generator. Experimental results show that GenCorres considerably outperforms state-of-the-art JSM techniques. The synthetic shapes of GenCorres also achieve salient performance gains against state-of-the-art deformable shape generators.

Graph Contrastive Learning (GCL) has emerged as a popular training approach for learning node embeddings from augmented graphs without labels. Despite the key principle that maximizing the similarity between positive node pairs while minimizing it between negative node pairs is well established, some fundamental problems are still unclear. Considering the complex graph structure, are some nodes consistently well-trained and following this principle even with different graph augmentations? Or are there some nodes more likely to be untrained across graph augmentations and violate the principle? How to distinguish these nodes and further guide the training of GCL? To answer these questions, we first present experimental evidence showing that the training of GCL is indeed imbalanced across all nodes. To address this problem, we propose the metric "node compactness", which is the lower bound of how a node follows the GCL principle related to the range of augmentations. We further derive the form of node compactness theoretically through bound propagation, which can be integrated into binary cross-entropy as a regularization. To this end, we propose the PrOvable Training (POT) for GCL, which regularizes the training of GCL to encode node embeddings that follows the GCL principle better. Through extensive experiments on various benchmarks, POT consistently improves the existing GCL approaches, serving as a friendly plugin.

Joint-embedding predictive architectures (JEPAs) have shown substantial promise in self-supervised representation learning, yet their application in generative modeling remains underexplored. Conversely, diffusion models have demonstrated significant efficacy in modeling arbitrary probability distributions. In this paper, we introduce Denoising with a Joint-Embedding Predictive Architecture (D-JEPA), pioneering the integration of JEPA within generative modeling. By recognizing JEPA as a form of masked image modeling, we reinterpret it as a generalized next-token prediction strategy, facilitating data generation in an auto-regressive manner. Furthermore, we incorporate diffusion loss to model the per-token probability distribution, enabling data generation in a continuous space. We also adapt flow matching loss as an alternative to diffusion loss, thereby enhancing the flexibility of D-JEPA. Empirically, with increased GFLOPs, D-JEPA consistently achieves lower FID scores with fewer training epochs, indicating its good scalability. Our base, large, and huge models outperform all previous generative models across all scales on class-conditional ImageNet benchmarks. Beyond image generation, D-JEPA is well-suited for other continuous data modeling, including video and audio.

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.

We propose a novel approach for preserving topological structures of the input space in latent representations of autoencoders. Using persistent homology, a technique from topological data analysis, we calculate topological signatures of both the input and latent space to derive a topological loss term. Under weak theoretical assumptions, we construct this loss in a differentiable manner, such that the encoding learns to retain multi-scale connectivity information. We show that our approach is theoretically well-founded and that it exhibits favourable latent representations on a synthetic manifold as well as on real-world image data sets, while preserving low reconstruction errors.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.

Customized generative text-to-image models have the ability to produce images that closely resemble a given subject. However, in the context of generating advertising images for e-commerce scenarios, it is crucial that the generated subject's identity aligns perfectly with the product being advertised. In order to address the need for strictly-ID preserved advertising image generation, we have developed a Control-Net based customized image generation pipeline and have taken earring model advertising as an example. Our approach facilitates a seamless interaction between the earrings and the model's face, while ensuring that the identity of the earrings remains intact. Furthermore, to achieve a diverse and controllable display, we have proposed a multi-branch cross-attention architecture, which allows for control over the scale, pose, and appearance of the model, going beyond the limitations of text prompts. Our method manages to achieve fine-grained control of the generated model's face, resulting in controllable and captivating advertising effects.

Cloth-changing person re-identification (CC-ReID) aims to match persons who change clothes over long periods. The key challenge in CC-ReID is to extract clothing-independent features, such as face, hairstyle, body shape, and gait. Current research mainly focuses on modeling body shape using multi-modal biological features (such as silhouettes and sketches). However, it does not fully leverage the personal description information hidden in the original RGB image. Considering that there are certain attribute descriptions which remain unchanged after the changing of cloth, we propose a Masked Attribute Description Embedding (MADE) method that unifies personal visual appearance and attribute description for CC-ReID. Specifically, handling variable clothing-sensitive information, such as color and type, is challenging for effective modeling. To address this, we mask the clothing and color information in the personal attribute description extracted through an attribute detection model. The masked attribute description is then connected and embedded into Transformer blocks at various levels, fusing it with the low-level to high-level features of the image. This approach compels the model to discard clothing information. Experiments are conducted on several CC-ReID benchmarks, including PRCC, LTCC, Celeb-reID-light, and LaST. Results demonstrate that MADE effectively utilizes attribute description, enhancing cloth-changing person re-identification performance, and compares favorably with state-of-the-art methods. The code is available at https://github.com/moon-wh/MADE.

Neural representations of 3D data have been widely adopted across various applications, particularly in recent work leveraging coordinate-based networks to model scalar or vector fields. However, these approaches face inherent challenges, such as handling thin structures and non-watertight geometries, which limit their flexibility and accuracy. In contrast, we propose a novel geometric data representation that models geometry as distributions-a powerful representation that makes no assumptions about surface genus, connectivity, or boundary conditions. Our approach uses diffusion models with a novel network architecture to learn surface point distributions, capturing fine-grained geometric details. We evaluate our representation qualitatively and quantitatively across various object types, demonstrating its effectiveness in achieving high geometric fidelity. Additionally, we explore applications using our representation, such as textured mesh representation, neural surface compression, dynamic object modeling, and rendering, highlighting its potential to advance 3D geometric learning.

Learning feature representations of geographical space is vital for any machine learning model that integrates geolocated data, spanning application domains such as remote sensing, ecology, or epidemiology. Recent work mostly embeds coordinates using sine and cosine projections based on Double Fourier Sphere (DFS) features -- these embeddings assume a rectangular data domain even on global data, which can lead to artifacts, especially at the poles. At the same time, relatively little attention has been paid to the exact design of the neural network architectures these functional embeddings are combined with. This work proposes a novel location encoder for globally distributed geographic data that combines spherical harmonic basis functions, natively defined on spherical surfaces, with sinusoidal representation networks (SirenNets) that can be interpreted as learned Double Fourier Sphere embedding. We systematically evaluate the cross-product of positional embeddings and neural network architectures across various classification and regression benchmarks and synthetic evaluation datasets. In contrast to previous approaches that require the combination of both positional encoding and neural networks to learn meaningful representations, we show that both spherical harmonics and sinusoidal representation networks are competitive on their own but set state-of-the-art performances across tasks when combined. We provide source code at www.github.com/marccoru/locationencoder

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

Dictionary learning is a key tool for representation learning, that explains the data as linear combination of few basic elements. Yet, this analysis is not amenable in the context of graph learning, as graphs usually belong to different metric spaces. We fill this gap by proposing a new online Graph Dictionary Learning approach, which uses the Gromov Wasserstein divergence for the data fitting term. In our work, graphs are encoded through their nodes' pairwise relations and modeled as convex combination of graph atoms, i.e. dictionary elements, estimated thanks to an online stochastic algorithm, which operates on a dataset of unregistered graphs with potentially different number of nodes. Our approach naturally extends to labeled graphs, and is completed by a novel upper bound that can be used as a fast approximation of Gromov Wasserstein in the embedding space. We provide numerical evidences showing the interest of our approach for unsupervised embedding of graph datasets and for online graph subspace estimation and tracking.

Molecule pretraining has quickly become the go-to schema to boost the performance of AI-based drug discovery. Naturally, molecules can be represented as 2D topological graphs or 3D geometric point clouds. Although most existing pertaining methods focus on merely the single modality, recent research has shown that maximizing the mutual information (MI) between such two modalities enhances the molecule representation ability. Meanwhile, existing molecule multi-modal pretraining approaches approximate MI based on the representation space encoded from the topology and geometry, thus resulting in the loss of critical structural information of molecules. To address this issue, we propose MoleculeSDE. MoleculeSDE leverages group symmetric (e.g., SE(3)-equivariant and reflection-antisymmetric) stochastic differential equation models to generate the 3D geometries from 2D topologies, and vice versa, directly in the input space. It not only obtains tighter MI bound but also enables prosperous downstream tasks than the previous work. By comparing with 17 pretraining baselines, we empirically verify that MoleculeSDE can learn an expressive representation with state-of-the-art performance on 26 out of 32 downstream tasks.

Optimal transport (OT) has gained popularity due to its various applications in fields such as machine learning, statistics, and signal processing. However, the balanced mass requirement limits its performance in practical problems. To address these limitations, variants of the OT problem, including unbalanced OT, Optimal partial transport (OPT), and Hellinger Kantorovich (HK), have been proposed. In this paper, we propose the Linear optimal partial transport (LOPT) embedding, which extends the (local) linearization technique on OT and HK to the OPT problem. The proposed embedding allows for faster computation of OPT distance between pairs of positive measures. Besides our theoretical contributions, we demonstrate the LOPT embedding technique in point-cloud interpolation and PCA analysis.

Recent advances in text-to-image personalization have enabled high-quality and controllable image synthesis for user-provided concepts. However, existing methods still struggle to balance identity preservation with text alignment. Our approach is based on the fact that generating prompt-aligned images requires a precise semantic understanding of the prompt, which involves accurately processing the interactions between the new concept and its surrounding context tokens within the CLIP text encoder. To address this, we aim to embed the new concept properly into the input embedding space of the text encoder, allowing for seamless integration with existing tokens. We introduce Context Regularization (CoRe), which enhances the learning of the new concept's text embedding by regularizing its context tokens in the prompt. This is based on the insight that appropriate output vectors of the text encoder for the context tokens can only be achieved if the new concept's text embedding is correctly learned. CoRe can be applied to arbitrary prompts without requiring the generation of corresponding images, thus improving the generalization of the learned text embedding. Additionally, CoRe can serve as a test-time optimization technique to further enhance the generations for specific prompts. Comprehensive experiments demonstrate that our method outperforms several baseline methods in both identity preservation and text alignment. Code will be made publicly available.

As the most common representation for 3D shapes, mesh is often stored discretely with arrays of vertices and faces. However, 3D shapes in the real world are presented continuously. In this paper, we propose to learn a continuous representation for meshes with fixed topology, a common and practical setting in many faces-, hand-, and body-related applications. First, we split the template into multiple closed manifold genus-0 meshes so that each genus-0 mesh can be parameterized onto the unit sphere. Then we learn spherical implicit surface (SIS), which takes a spherical coordinate and a global feature or a set of local features around the coordinate as inputs, predicting the vertex corresponding to the coordinate as an output. Since the spherical coordinates are continuous, SIS can depict a mesh in an arbitrary resolution. SIS representation builds a bridge between discrete and continuous representation in 3D shapes. Specifically, we train SIS networks in a self-supervised manner for two tasks: a reconstruction task and a super-resolution task. Experiments show that our SIS representation is comparable with state-of-the-art methods that are specifically designed for meshes with a fixed resolution and significantly outperforms methods that work in arbitrary resolutions.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

Personalized generation paradigms empower designers to customize visual intellectual properties with the help of textual descriptions by tuning or adapting pre-trained text-to-image models on a few images. Recent works explore approaches for concurrently customizing both content and detailed visual style appearance. However, these existing approaches often generate images where the content and style are entangled. In this study, we reconsider the customization of content and style concepts from the perspective of parameter space construction. Unlike existing methods that utilize a shared parameter space for content and style, we propose a learning framework that separates the parameter space to facilitate individual learning of content and style, thereby enabling disentangled content and style. To achieve this goal, we introduce "partly learnable projection" (PLP) matrices to separate the original adapters into divided sub-parameter spaces. We propose "break-for-make" customization learning pipeline based on PLP, which is simple yet effective. We break the original adapters into "up projection" and "down projection", train content and style PLPs individually with the guidance of corresponding textual prompts in the separate adapters, and maintain generalization by employing a multi-correspondence projection learning strategy. Based on the adapters broken apart for separate training content and style, we then make the entity parameter space by reconstructing the content and style PLPs matrices, followed by fine-tuning the combined adapter to generate the target object with the desired appearance. Experiments on various styles, including textures, materials, and artistic style, show that our method outperforms state-of-the-art single/multiple concept learning pipelines in terms of content-style-prompt alignment.

Synthesizing images with user-specified subjects has received growing attention due to its practical applications. Despite the recent success in single subject customization, existing algorithms suffer from high training cost and low success rate along with increased number of subjects. Towards controllable image synthesis with multiple subjects as the constraints, this work studies how to efficiently represent a particular subject as well as how to appropriately compose different subjects. We find that the text embedding regarding the subject token already serves as a simple yet effective representation that supports arbitrary combinations without any model tuning. Through learning a residual on top of the base embedding, we manage to robustly shift the raw subject to the customized subject given various text conditions. We then propose to employ layout, a very abstract and easy-to-obtain prior, as the spatial guidance for subject arrangement. By rectifying the activations in the cross-attention map, the layout appoints and separates the location of different subjects in the image, significantly alleviating the interference across them. Both qualitative and quantitative experimental results demonstrate our superiority over state-of-the-art alternatives under a variety of settings for multi-subject customization.

Contrastive learning (CL) has emerged as a powerful technique for representation learning, with or without label supervision. However, supervised CL is prone to collapsing representations of subclasses within a class by not capturing all their features, and unsupervised CL may suppress harder class-relevant features by focusing on learning easy class-irrelevant features; both significantly compromise representation quality. Yet, there is no theoretical understanding of class collapse or feature suppression at test time. We provide the first unified theoretically rigorous framework to determine which features are learnt by CL. Our analysis indicate that, perhaps surprisingly, bias of (stochastic) gradient descent towards finding simpler solutions is a key factor in collapsing subclass representations and suppressing harder class-relevant features. Moreover, we present increasing embedding dimensionality and improving the quality of data augmentations as two theoretically motivated solutions to {feature suppression}. We also provide the first theoretical explanation for why employing supervised and unsupervised CL together yields higher-quality representations, even when using commonly-used stochastic gradient methods.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

Diffusion models have achieved state-of-the-art synthesis quality on both visual and audio tasks, and recent works further adapt them to textual data by diffusing on the embedding space. In this paper, we conduct systematic studies and analyze the challenges between the continuous data space and the embedding space which have not been carefully explored. Firstly, the data distribution is learnable for embeddings, which may lead to the collapse of the loss function. Secondly, as the norm of embeddings varies between popular and rare words, adding the same noise scale will lead to sub-optimal results. In addition, we find the normal level of noise causes insufficient training of the model. To address the above challenges, we propose Difformer, an embedding diffusion model based on Transformer, which consists of three essential modules including an additional anchor loss function, a layer normalization module for embeddings, and a noise factor to the Gaussian noise. Experiments on two seminal text generation tasks including machine translation and text summarization show the superiority of Difformer over compared embedding diffusion baselines.

We introduce Clifford Group Equivariant Simplicial Message Passing Networks, a method for steerable E(n)-equivariant message passing on simplicial complexes. Our method integrates the expressivity of Clifford group-equivariant layers with simplicial message passing, which is topologically more intricate than regular graph message passing. Clifford algebras include higher-order objects such as bivectors and trivectors, which express geometric features (e.g., areas, volumes) derived from vectors. Using this knowledge, we represent simplex features through geometric products of their vertices. To achieve efficient simplicial message passing, we share the parameters of the message network across different dimensions. Additionally, we restrict the final message to an aggregation of the incoming messages from different dimensions, leading to what we term shared simplicial message passing. Experimental results show that our method is able to outperform both equivariant and simplicial graph neural networks on a variety of geometric tasks.

The gradients of convex functions are expressive models of non-trivial vector fields. For example, Brenier's theorem yields that the optimal transport map between any two measures on Euclidean space under the squared distance is realized as a convex gradient, which is a key insight used in recent generative flow models. In this paper, we study how to model convex gradients by integrating a Jacobian-vector product parameterized by a neural network, which we call the Input Convex Gradient Network (ICGN). We theoretically study ICGNs and compare them to taking the gradient of an Input-Convex Neural Network (ICNN), empirically demonstrating that a single layer ICGN can fit a toy example better than a single layer ICNN. Lastly, we explore extensions to deeper networks and connections to constructions from Riemannian geometry.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

Despite their tremendous success in modelling high-dimensional data manifolds, deep neural networks suffer from the threat of adversarial attacks - Existence of perceptually valid input-like samples obtained through careful perturbation that lead to degradation in the performance of the underlying model. Major concerns with existing defense mechanisms include non-generalizability across different attacks, models and large inference time. In this paper, we propose a generalized defense mechanism capitalizing on the expressive power of regularized latent space based generative models. We design an adversarial filter, devoid of access to classifier and adversaries, which makes it usable in tandem with any classifier. The basic idea is to learn a Lipschitz constrained mapping from the data manifold, incorporating adversarial perturbations, to a quantized latent space and re-map it to the true data manifold. Specifically, we simultaneously auto-encode the data manifold and its perturbations implicitly through the perturbations of the regularized and quantized generative latent space, realized using variational inference. We demonstrate the efficacy of the proposed formulation in providing resilience against multiple attack types (black and white box) and methods, while being almost real-time. Our experiments show that the proposed method surpasses the state-of-the-art techniques in several cases.

We tackle the problem disentangling the latent space of an autoencoder in order to separate labelled attribute information from other characteristic information. This then allows us to change selected attributes while preserving other information. Our method, matrix subspace projection, is much simpler than previous approaches to latent space factorisation, for example not requiring multiple discriminators or a careful weighting among their loss functions. Furthermore our new model can be applied to autoencoders as a plugin, and works across diverse domains such as images or text. We demonstrate the utility of our method for attribute manipulation in autoencoders trained across varied domains, using both human evaluation and automated methods. The quality of generation of our new model (e.g. reconstruction, conditional generation) is highly competitive to a number of strong baselines.

We introduce a new framework for molecular graph generation with 3D molecular generative models. Our Synthetic Coordinate Embedding (SyCo) framework maps molecular graphs to Euclidean point clouds via synthetic conformer coordinates and learns the inverse map using an E(n)-Equivariant Graph Neural Network (EGNN). The induced point cloud-structured latent space is well-suited to apply existing 3D molecular generative models. This approach simplifies the graph generation problem - without relying on molecular fragments nor autoregressive decoding - into a point cloud generation problem followed by node and edge classification tasks. Further, we propose a novel similarity-constrained optimization scheme for 3D diffusion models based on inpainting and guidance. As a concrete implementation of our framework, we develop EDM-SyCo based on the E(3) Equivariant Diffusion Model (EDM). EDM-SyCo achieves state-of-the-art performance in distribution learning of molecular graphs, outperforming the best non-autoregressive methods by more than 30% on ZINC250K and 16% on the large-scale GuacaMol dataset while improving conditional generation by up to 3.9 times.

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination of two optimization objectives, we propose a novel semantic graph representation (SGR) method to formulate the joint optimization of the two heterogeneous sources into a common high-order proximity based framework. Concretely, we first construct an auxiliary weighted graph, where the complex homogeneous and heterogeneous relations among nodes and attributes in the original graph are comprehensively encoded. Conventional embedding methods that consider high-order topology proximities can then be easily applied to the newly constructed graph to learn the representations of both node and attribute while capturing the nonlinear high-order intrinsic correlation inside or among graph structure and semantic. The learned attribute embeddings can also effectively support some semantic-oriented inference tasks (e.g., semantic community detection), helping to reveal the graph's deep semantic. The effectiveness of SGR is further verified on a series of real graphs, where it achieves impressive performance over other baselines.

We investigate the relationship between the geometry of token embeddings and their role in the next token prediction within transformer models. An important aspect of this connection uses the notion of empirical measure, which encodes the distribution of token point clouds across transformer layers and drives the evolution of token representations in the mean-field interacting picture. We use metrics such as intrinsic dimension, neighborhood overlap, and cosine similarity to observationally probe these empirical measures across layers. To validate our approach, we compare these metrics to a dataset where the tokens are shuffled, which disrupts the syntactic and semantic structure. Our findings reveal a correlation between the geometric properties of token embeddings and the cross-entropy loss of next token predictions, implying that prompts with higher loss values have tokens represented in higher-dimensional spaces.

This paper studies implicit surface reconstruction leveraging differentiable ray casting. Previous works such as IDR and NeuS overlook the spatial context in 3D space when predicting and rendering the surface, thereby may fail to capture sharp local topologies such as small holes and structures. To mitigate the limitation, we propose a flexible neural implicit representation leveraging hierarchical voxel grids, namely Neural Deformable Anchor (NeuDA), for high-fidelity surface reconstruction. NeuDA maintains the hierarchical anchor grids where each vertex stores a 3D position (or anchor) instead of the direct embedding (or feature). We optimize the anchor grids such that different local geometry structures can be adaptively encoded. Besides, we dig into the frequency encoding strategies and introduce a simple hierarchical positional encoding method for the hierarchical anchor structure to flexibly exploit the properties of high-frequency and low-frequency geometry and appearance. Experiments on both the DTU and BlendedMVS datasets demonstrate that NeuDA can produce promising mesh surfaces.

We present Simplified Text-Attributed Graph Embeddings (STAGE), a straightforward yet effective method for enhancing node features in Graph Neural Network (GNN) models that encode Text-Attributed Graphs (TAGs). Our approach leverages Large-Language Models (LLMs) to generate embeddings for textual attributes. STAGE achieves competitive results on various node classification benchmarks while also maintaining a simplicity in implementation relative to current state-of-the-art (SoTA) techniques. We show that utilizing pre-trained LLMs as embedding generators provides robust features for ensemble GNN training, enabling pipelines that are simpler than current SoTA approaches which require multiple expensive training and prompting stages. We also implement diffusion-pattern GNNs in an effort to make this pipeline scalable to graphs beyond academic benchmarks.

The Position Embedding (PE) is critical for Vision Transformers (VTs) due to the permutation-invariance of self-attention operation. By analyzing the input and output of each encoder layer in VTs using reparameterization and visualization, we find that the default PE joining method (simply adding the PE and patch embedding together) operates the same affine transformation to token embedding and PE, which limits the expressiveness of PE and hence constrains the performance of VTs. To overcome this limitation, we propose a simple, effective, and robust method. Specifically, we provide two independent layer normalizations for token embeddings and PE for each layer, and add them together as the input of each layer's Muti-Head Self-Attention module. Since the method allows the model to adaptively adjust the information of PE for different layers, we name it as Layer-adaptive Position Embedding, abbreviated as LaPE. Extensive experiments demonstrate that LaPE can improve various VTs with different types of PE and make VTs robust to PE types. For example, LaPE improves 0.94% accuracy for ViT-Lite on Cifar10, 0.98% for CCT on Cifar100, and 1.72% for DeiT on ImageNet-1K, which is remarkable considering the negligible extra parameters, memory and computational cost brought by LaPE. The code is publicly available at https://github.com/Ingrid725/LaPE.

Denoising with a Joint-Embedding Predictive Architecture (D-JEPA), an autoregressive model, has demonstrated outstanding performance in class-conditional image generation. However, the application of next-token prediction in high-resolution text-to-image generation remains underexplored. In this paper, we introduce D-JEPAcdotT2I, an extension of D-JEPA incorporating flow matching loss, designed to enable data-efficient continuous resolution learning. D-JEPAcdotT2I leverages a multimodal visual transformer to effectively integrate textual and visual features and adopts Visual Rotary Positional Embedding (VoPE) to facilitate continuous resolution learning. Furthermore, we devise a data feedback mechanism that significantly enhances data utilization efficiency. For the first time, we achieve state-of-the-art high-resolution image synthesis via next-token prediction. The experimental code and pretrained models will be open-sourced at https://d-jepa.github.io/t2i.

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

Recent studies have introduced a new class of generative models for synthesizing implicit neural representations (INRs) that capture arbitrary continuous signals in various domains. These models opened the door for domain-agnostic generative models, but they often fail to achieve high-quality generation. We observed that the existing methods generate the weights of neural networks to parameterize INRs and evaluate the network with fixed positional embeddings (PEs). Arguably, this architecture limits the expressive power of generative models and results in low-quality INR generation. To address this limitation, we propose Domain-agnostic Latent Diffusion Model for INRs (DDMI) that generates adaptive positional embeddings instead of neural networks' weights. Specifically, we develop a Discrete-to-continuous space Variational AutoEncoder (D2C-VAE), which seamlessly connects discrete data and the continuous signal functions in the shared latent space. Additionally, we introduce a novel conditioning mechanism for evaluating INRs with the hierarchically decomposed PEs to further enhance expressive power. Extensive experiments across four modalities, e.g., 2D images, 3D shapes, Neural Radiance Fields, and videos, with seven benchmark datasets, demonstrate the versatility of DDMI and its superior performance compared to the existing INR generative models.

Existing customization methods require access to multiple reference examples to align pre-trained diffusion probabilistic models (DPMs) with user-provided concepts. This paper aims to address the challenge of DPM customization when the only available supervision is a differentiable metric defined on the generated contents. Since the sampling procedure of DPMs involves recursive calls to the denoising UNet, na\"ive gradient backpropagation requires storing the intermediate states of all iterations, resulting in extremely high memory consumption. To overcome this issue, we propose a novel method AdjointDPM, which first generates new samples from diffusion models by solving the corresponding probability-flow ODEs. It then uses the adjoint sensitivity method to backpropagate the gradients of the loss to the models' parameters (including conditioning signals, network weights, and initial noises) by solving another augmented ODE. To reduce numerical errors in both the forward generation and gradient backpropagation processes, we further reparameterize the probability-flow ODE and augmented ODE as simple non-stiff ODEs using exponential integration. Finally, we demonstrate the effectiveness of AdjointDPM on three interesting tasks: converting visual effects into identification text embeddings, finetuning DPMs for specific types of stylization, and optimizing initial noise to generate adversarial samples for security auditing.

We aim to address a significant but understudied problem in the anime industry, namely the inbetweening of cartoon line drawings. Inbetweening involves generating intermediate frames between two black-and-white line drawings and is a time-consuming and expensive process that can benefit from automation. However, existing frame interpolation methods that rely on matching and warping whole raster images are unsuitable for line inbetweening and often produce blurring artifacts that damage the intricate line structures. To preserve the precision and detail of the line drawings, we propose a new approach, AnimeInbet, which geometrizes raster line drawings into graphs of endpoints and reframes the inbetweening task as a graph fusion problem with vertex repositioning. Our method can effectively capture the sparsity and unique structure of line drawings while preserving the details during inbetweening. This is made possible via our novel modules, i.e., vertex geometric embedding, a vertex correspondence Transformer, an effective mechanism for vertex repositioning and a visibility predictor. To train our method, we introduce MixamoLine240, a new dataset of line drawings with ground truth vectorization and matching labels. Our experiments demonstrate that AnimeInbet synthesizes high-quality, clean, and complete intermediate line drawings, outperforming existing methods quantitatively and qualitatively, especially in cases with large motions. Data and code are available at https://github.com/lisiyao21/AnimeInbet.

Seamlessly blending features from multiple images is extremely challenging because of complex relationships in lighting, geometry, and partial occlusion which cause coupling between different parts of the image. Even though recent work on GANs enables synthesis of realistic hair or faces, it remains difficult to combine them into a single, coherent, and plausible image rather than a disjointed set of image patches. We present a novel solution to image blending, particularly for the problem of hairstyle transfer, based on GAN-inversion. We propose a novel latent space for image blending which is better at preserving detail and encoding spatial information, and propose a new GAN-embedding algorithm which is able to slightly modify images to conform to a common segmentation mask. Our novel representation enables the transfer of the visual properties from multiple reference images including specific details such as moles and wrinkles, and because we do image blending in a latent-space we are able to synthesize images that are coherent. Our approach avoids blending artifacts present in other approaches and finds a globally consistent image. Our results demonstrate a significant improvement over the current state of the art in a user study, with users preferring our blending solution over 95 percent of the time.

Text embeddings are vital for tasks such as text retrieval and semantic textual similarity (STS). Recently, the advent of pretrained language models, along with unified benchmarks like the Massive Text Embedding Benchmark (MTEB), has facilitated the development of versatile general-purpose text embedding models. Advanced embedding models are typically developed using large-scale multi-task data and joint training across multiple tasks. However, our experimental analysis reveals two significant drawbacks of joint training: 1) Task Conflict: Gradients from different tasks interfere with each other, leading to negative transfer. 2) Data Imbalance: Disproportionate data distribution introduces biases that negatively impact performance across tasks. To overcome these challenges, we explore model merging-a technique that combines independently trained models to mitigate gradient conflicts and balance data distribution. We introduce a novel method, Self Positioning, which efficiently searches for optimal model combinations within the interpolation space of task vectors using stochastic gradient descent. Our experiments demonstrate that Self Positioning significantly enhances multi-task performance on the MTEB dataset, achieving an absolute improvement of 0.7 points. It outperforms traditional resampling methods while reducing computational costs. This work offers a robust approach to building generalized text embedding models with superior performance across diverse embedding-related tasks.

Text-guided image generation enables the creation of visual content from textual descriptions. However, certain visual concepts cannot be effectively conveyed through language alone. This has sparked a renewed interest in utilizing the CLIP image embedding space for more visually-oriented tasks through methods such as IP-Adapter. Interestingly, the CLIP image embedding space has been shown to be semantically meaningful, where linear operations within this space yield semantically meaningful results. Yet, the specific meaning of these operations can vary unpredictably across different images. To harness this potential, we introduce pOps, a framework that trains specific semantic operators directly on CLIP image embeddings. Each pOps operator is built upon a pretrained Diffusion Prior model. While the Diffusion Prior model was originally trained to map between text embeddings and image embeddings, we demonstrate that it can be tuned to accommodate new input conditions, resulting in a diffusion operator. Working directly over image embeddings not only improves our ability to learn semantic operations but also allows us to directly use a textual CLIP loss as an additional supervision when needed. We show that pOps can be used to learn a variety of photo-inspired operators with distinct semantic meanings, highlighting the semantic diversity and potential of our proposed approach.

Vector Quantization (VQ) is an appealing model compression method to obtain a tiny model with less accuracy loss. While methods to obtain better codebooks and codes under fixed clustering dimensionality have been extensively studied, optimizations of the vectors in favour of clustering performance are not carefully considered, especially via the reduction of vector dimensionality. This paper reports our recent progress on the combination of dimensionality compression and vector quantization, proposing a Low-Rank Representation Vector Quantization (LR^2VQ) method that outperforms previous VQ algorithms in various tasks and architectures. LR^2VQ joins low-rank representation with subvector clustering to construct a new kind of building block that is directly optimized through end-to-end training over the task loss. Our proposed design pattern introduces three hyper-parameters, the number of clusters k, the size of subvectors m and the clustering dimensionality d. In our method, the compression ratio could be directly controlled by m, and the final accuracy is solely determined by d. We recognize d as a trade-off between low-rank approximation error and clustering error and carry out both theoretical analysis and experimental observations that empower the estimation of the proper d before fine-tunning. With a proper d, we evaluate LR^2VQ with ResNet-18/ResNet-50 on ImageNet classification datasets, achieving 2.8\%/1.0\% top-1 accuracy improvements over the current state-of-the-art VQ-based compression algorithms with 43times/31times compression factor.

Customized text-to-image generation, which aims to learn user-specified concepts with a few images, has drawn significant attention recently. However, existing methods usually suffer from overfitting issues and entangle the subject-unrelated information (e.g., background and pose) with the learned concept, limiting the potential to compose concept into new scenes. To address these issues, we propose the DETEX, a novel approach that learns the disentangled concept embedding for flexible customized text-to-image generation. Unlike conventional methods that learn a single concept embedding from the given images, our DETEX represents each image using multiple word embeddings during training, i.e., a learnable image-shared subject embedding and several image-specific subject-unrelated embeddings. To decouple irrelevant attributes (i.e., background and pose) from the subject embedding, we further present several attribute mappers that encode each image as several image-specific subject-unrelated embeddings. To encourage these unrelated embeddings to capture the irrelevant information, we incorporate them with corresponding attribute words and propose a joint training strategy to facilitate the disentanglement. During inference, we only use the subject embedding for image generation, while selectively using image-specific embeddings to retain image-specified attributes. Extensive experiments demonstrate that the subject embedding obtained by our method can faithfully represent the target concept, while showing superior editability compared to the state-of-the-art methods. Our code will be made published available.

While single-view 3D reconstruction has made significant progress benefiting from deep shape representations in recent years, garment reconstruction is still not solved well due to open surfaces, diverse topologies and complex geometric details. In this paper, we propose a novel learnable Anchored Unsigned Distance Function (AnchorUDF) representation for 3D garment reconstruction from a single image. AnchorUDF represents 3D shapes by predicting unsigned distance fields (UDFs) to enable open garment surface modeling at arbitrary resolution. To capture diverse garment topologies, AnchorUDF not only computes pixel-aligned local image features of query points, but also leverages a set of anchor points located around the surface to enrich 3D position features for query points, which provides stronger 3D space context for the distance function. Furthermore, in order to obtain more accurate point projection direction at inference, we explicitly align the spatial gradient direction of AnchorUDF with the ground-truth direction to the surface during training. Extensive experiments on two public 3D garment datasets, i.e., MGN and Deep Fashion3D, demonstrate that AnchorUDF achieves the state-of-the-art performance on single-view garment reconstruction.

Two competing paradigms exist for self-supervised learning of data representations. Joint Embedding Predictive Architecture (JEPA) is a class of architectures in which semantically similar inputs are encoded into representations that are predictive of each other. A recent successful approach that falls under the JEPA framework is self-distillation, where an online encoder is trained to predict the output of the target encoder, sometimes using a lightweight predictor network. This is contrasted with the Masked AutoEncoder (MAE) paradigm, where an encoder and decoder are trained to reconstruct missing parts of the input in the data space rather, than its latent representation. A common motivation for using the JEPA approach over MAE is that the JEPA objective prioritizes abstract features over fine-grained pixel information (which can be unpredictable and uninformative). In this work, we seek to understand the mechanism behind this empirical observation by analyzing the training dynamics of deep linear models. We uncover a surprising mechanism: in a simplified linear setting where both approaches learn similar representations, JEPAs are biased to learn high-influence features, i.e., features characterized by having high regression coefficients. Our results point to a distinct implicit bias of predicting in latent space that may shed light on its success in practice.

We revisit watermarking techniques based on pre-trained deep networks, in the light of self-supervised approaches. We present a way to embed both marks and binary messages into their latent spaces, leveraging data augmentation at marking time. Our method can operate at any resolution and creates watermarks robust to a broad range of transformations (rotations, crops, JPEG, contrast, etc). It significantly outperforms the previous zero-bit methods, and its performance on multi-bit watermarking is on par with state-of-the-art encoder-decoder architectures trained end-to-end for watermarking. The code is available at github.com/facebookresearch/ssl_watermarking

While large-scale pre-trained text-to-image models can synthesize diverse and high-quality human-centric images, an intractable problem is how to preserve the face identity for conditioned face images. Existing methods either require time-consuming optimization for each face-identity or learning an efficient encoder at the cost of harming the editability of models. In this work, we present an optimization-free method for each face identity, meanwhile keeping the editability for text-to-image models. Specifically, we propose a novel face-identity encoder to learn an accurate representation of human faces, which applies multi-scale face features followed by a multi-embedding projector to directly generate the pseudo words in the text embedding space. Besides, we propose self-augmented editability learning to enhance the editability of models, which is achieved by constructing paired generated face and edited face images using celebrity names, aiming at transferring mature ability of off-the-shelf text-to-image models in celebrity faces to unseen faces. Extensive experiments show that our methods can generate identity-preserved images under different scenes at a much faster speed.

With the recent surge in interest surrounding generative paradigms, generative recommendation has increasingly attracted the attention of researchers in the recommendation community. This paradigm generally consists of two stages. In the first stage, pretrained semantic embeddings or collaborative ID embeddings are quantized to create item codes, aiming to capture and preserve rich semantic or collaborative knowledge within these codes. The second stage involves utilizing these discrete codes to perform an autoregressive sequence generation task. Existing methods often either overlook collaborative or semantic knowledge, or combine the two roughly. In this paper, we observe that naively concatenating representations from semantic and collaborative modality leads to a semantic domination issue, where the resulting representation is overly influenced by semantic information, effectively overshadowing the collaborative representation. Consequently, downstream recommendation tasks fail to fully exploit the knowledge from both modalities, resulting in suboptimal performance. To address this, we propose a progressive collaborative and semantic knowledge fusion model for generative recommendation, named PRORec, which integrates semantic and collaborative knowledge with a unified code through a two-stage framework. Specifically, in the first stage, we propose a cross-modality knowledge alignment task, which integrates semantic knowledge into collaborative embeddings, enhancing their representational capability. In the second stage, we propose an in-modality knowledge distillation task, designed to effectively capture and integrate knowledge from both semantic and collaborative modalities. Extensive experiments on three widely used benchmarks validate the effectiveness of our approach, demonstrating its superiority compared to existing methods.

In recent years, exploiting the domain-specific underlying structure of data and its generative factors for representation learning has shown success in various use-case agnostic applications. However, the diversity and complexity of tabular data have made it challenging to represent these structures in a latent space through multi-dimensional vectors. We design an autoencoder-based framework for building general purpose embeddings, we assess the performance of different autoencoder architectures, and show simpler models outperform complex ones in embedding highly complex tabular data. We apply our framework to produce plug-and-play, rich, and anonymized embeddings representing AWS customers for usage in any model, saving up to 45% of development time, and observe significant improvements in downstream models. Moreover, we propose a significant improvement to the calculation of reconstruction loss for multi-layer contractive autoencoders (CAE) by calculating the Jacobian of the entire encoder leading to a 15% improvement in reconstruction quality when compared to a stacked CAE.

Tabular neural network (NN) has attracted remarkable attentions and its recent advances have gradually narrowed the performance gap with respect to tree-based models on many public datasets. While the mainstreams focus on calibrating NN to fit tabular data, we emphasize the importance of homogeneous embeddings and alternately concentrate on regularizing tabular inputs through supervised pretraining. Specifically, we extend a recent work (DeepTLF) and utilize the structure of pretrained tree ensembles to transform raw variables into a single vector (T2V), or an array of tokens (T2T). Without loss of space efficiency, these binarized embeddings can be consumed by canonical tabular NN with fully-connected or attention-based building blocks. Through quantitative experiments on 88 OpenML datasets with binary classification task, we validated that the proposed tree-regularized representation not only tapers the difference with respect to tree-based models, but also achieves on-par and better performance when compared with advanced NN models. Most importantly, it possesses better robustness and can be easily scaled and generalized as standalone encoder for tabular modality. Codes: https://github.com/milanlx/tree-regularized-embedding.

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Non-linear manifold learning enables high-dimensional data analysis, but requires out-of-sample-extension methods to process new data points. In this paper, we propose a manifold learning algorithm based on deep learning to create an encoder, which maps a high-dimensional dataset and its low-dimensional embedding, and a decoder, which takes the embedded data back to the high-dimensional space. Stacking the encoder and decoder together constructs an autoencoder, which we term a diffusion net, that performs out-of-sample-extension as well as outlier detection. We introduce new neural net constraints for the encoder, which preserves the local geometry of the points, and we prove rates of convergence for the encoder. Also, our approach is efficient in both computational complexity and memory requirements, as opposed to previous methods that require storage of all training points in both the high-dimensional and the low-dimensional spaces to calculate the out-of-sample-extension and the pre-image.

Joint-Embedding Predictive Architecture (JEPA) has emerged as a promising self-supervised approach that learns by leveraging a world model. While previously limited to predicting missing parts of an input, we explore how to generalize the JEPA prediction task to a broader set of corruptions. We introduce Image World Models, an approach that goes beyond masked image modeling and learns to predict the effect of global photometric transformations in latent space. We study the recipe of learning performant IWMs and show that it relies on three key aspects: conditioning, prediction difficulty, and capacity. Additionally, we show that the predictive world model learned by IWM can be adapted through finetuning to solve diverse tasks; a fine-tuned IWM world model matches or surpasses the performance of previous self-supervised methods. Finally, we show that learning with an IWM allows one to control the abstraction level of the learned representations, learning invariant representations such as contrastive methods, or equivariant representations such as masked image modelling.

We propose a novel neural network architecture, the normalized Transformer (nGPT) with representation learning on the hypersphere. In nGPT, all vectors forming the embeddings, MLP, attention matrices and hidden states are unit norm normalized. The input stream of tokens travels on the surface of a hypersphere, with each layer contributing a displacement towards the target output predictions. These displacements are defined by the MLP and attention blocks, whose vector components also reside on the same hypersphere. Experiments show that nGPT learns much faster, reducing the number of training steps required to achieve the same accuracy by a factor of 4 to 20, depending on the sequence length.

Recent works have demonstrated reasonable success of representation learning in hypercomplex space. Specifically, "fully-connected layers with Quaternions" (4D hypercomplex numbers), which replace real-valued matrix multiplications in fully-connected layers with Hamilton products of Quaternions, both enjoy parameter savings with only 1/4 learnable parameters and achieve comparable performance in various applications. However, one key caveat is that hypercomplex space only exists at very few predefined dimensions (4D, 8D, and 16D). This restricts the flexibility of models that leverage hypercomplex multiplications. To this end, we propose parameterizing hypercomplex multiplications, allowing models to learn multiplication rules from data regardless of whether such rules are predefined. As a result, our method not only subsumes the Hamilton product, but also learns to operate on any arbitrary nD hypercomplex space, providing more architectural flexibility using arbitrarily 1/n learnable parameters compared with the fully-connected layer counterpart. Experiments of applications to the LSTM and Transformer models on natural language inference, machine translation, text style transfer, and subject verb agreement demonstrate architectural flexibility and effectiveness of the proposed approach.

We propose and investigate an identity sensitive joint embedding of face and voice. Such an embedding enables cross-modal retrieval from voice to face and from face to voice. We make the following four contributions: first, we show that the embedding can be learnt from videos of talking faces, without requiring any identity labels, using a form of cross-modal self-supervision; second, we develop a curriculum learning schedule for hard negative mining targeted to this task, that is essential for learning to proceed successfully; third, we demonstrate and evaluate cross-modal retrieval for identities unseen and unheard during training over a number of scenarios and establish a benchmark for this novel task; finally, we show an application of using the joint embedding for automatically retrieving and labelling characters in TV dramas.

The generation of Scalable Vector Graphics (SVG) assets from textual data remains a significant challenge, largely due to the scarcity of high-quality vector datasets and the limitations in scalable vector representations required for modeling intricate graphic distributions. This work introduces SVGFusion, a Text-to-SVG model capable of scaling to real-world SVG data without reliance on a text-based discrete language model or prolonged SDS optimization. The essence of SVGFusion is to learn a continuous latent space for vector graphics with a popular Text-to-Image framework. Specifically, SVGFusion consists of two modules: a Vector-Pixel Fusion Variational Autoencoder (VP-VAE) and a Vector Space Diffusion Transformer (VS-DiT). VP-VAE takes both the SVGs and corresponding rasterizations as inputs and learns a continuous latent space, whereas VS-DiT learns to generate a latent code within this space based on the text prompt. Based on VP-VAE, a novel rendering sequence modeling strategy is proposed to enable the latent space to embed the knowledge of construction logics in SVGs. This empowers the model to achieve human-like design capabilities in vector graphics, while systematically preventing occlusion in complex graphic compositions. Moreover, our SVGFusion's ability can be continuously improved by leveraging the scalability of the VS-DiT by adding more VS-DiT blocks. A large-scale SVG dataset is collected to evaluate the effectiveness of our proposed method. Extensive experimentation has confirmed the superiority of our SVGFusion over existing SVG generation methods, achieving enhanced quality and generalizability, thereby establishing a novel framework for SVG content creation. Code, model, and data will be released at: https://ximinng.github.io/SVGFusionProject/{https://ximinng.github.io/SVGFusionProject/}

In this paper we show how tensor networks help in developing explainability of machine learning algorithms. Specifically, we develop an unsupervised clustering algorithm based on Matrix Product States (MPS) and apply it in the context of a real use-case of adversary-generated threat intelligence. Our investigation proves that MPS rival traditional deep learning models such as autoencoders and GANs in terms of performance, while providing much richer model interpretability. Our approach naturally facilitates the extraction of feature-wise probabilities, Von Neumann Entropy, and mutual information, offering a compelling narrative for classification of anomalies and fostering an unprecedented level of transparency and interpretability, something fundamental to understand the rationale behind artificial intelligence decisions.

Multi-label image classification is a prediction task that aims to identify more than one label from a given image. This paper considers the semantic consistency of the latent space between the visual patch and linguistic label domains and introduces the conditional transport (CT) theory to bridge the acknowledged gap. While recent cross-modal attention-based studies have attempted to align such two representations and achieved impressive performance, they required carefully-designed alignment modules and extra complex operations in the attention computation. We find that by formulating the multi-label classification as a CT problem, we can exploit the interactions between the image and label efficiently by minimizing the bidirectional CT cost. Specifically, after feeding the images and textual labels into the modality-specific encoders, we view each image as a mixture of patch embeddings and a mixture of label embeddings, which capture the local region features and the class prototypes, respectively. CT is then employed to learn and align those two semantic sets by defining the forward and backward navigators. Importantly, the defined navigators in CT distance model the similarities between patches and labels, which provides an interpretable tool to visualize the learned prototypes. Extensive experiments on three public image benchmarks show that the proposed model consistently outperforms the previous methods.

Few-shot learning is a challenging area of research that aims to learn new concepts with only a few labeled samples of data. Recent works based on metric-learning approaches leverage the meta-learning approach, which is encompassed by episodic tasks that make use a support (training) and query set (test) with the objective of learning a similarity comparison metric between those sets. Due to the lack of data, the learning process of the embedding network becomes an important part of the few-shot task. Previous works have addressed this problem using metric learning approaches, but the properties of the underlying latent space and the separability of the difference classes on it was not entirely enforced. In this work, we propose two different loss functions which consider the importance of the embedding vectors by looking at the intra-class and inter-class distance between the few data. The first loss function is the Proto-Triplet Loss, which is based on the original triplet loss with the modifications needed to better work on few-shot scenarios. The second loss function, which we dub ICNN loss is based on an inter and intra class nearest neighbors score, which help us to assess the quality of embeddings obtained from the trained network. Our results, obtained from a extensive experimental setup show a significant improvement in accuracy in the miniImagenNet benchmark compared to other metric-based few-shot learning methods by a margin of 2%, demonstrating the capability of these loss functions to allow the network to generalize better to previously unseen classes. In our experiments, we demonstrate competitive generalization capabilities to other domains, such as the Caltech CUB, Dogs and Cars datasets compared with the state of the art.

Diffusion-based manifold learning methods have proven useful in representation learning and dimensionality reduction of modern high dimensional, high throughput, noisy datasets. Such datasets are especially present in fields like biology and physics. While it is thought that these methods preserve underlying manifold structure of data by learning a proxy for geodesic distances, no specific theoretical links have been established. Here, we establish such a link via results in Riemannian geometry explicitly connecting heat diffusion to manifold distances. In this process, we also formulate a more general heat kernel based manifold embedding method that we call heat geodesic embeddings. This novel perspective makes clearer the choices available in manifold learning and denoising. Results show that our method outperforms existing state of the art in preserving ground truth manifold distances, and preserving cluster structure in toy datasets. We also showcase our method on single cell RNA-sequencing datasets with both continuum and cluster structure, where our method enables interpolation of withheld timepoints of data. Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).

In this paper, we show that a binary latent space can be explored for compact yet expressive image representations. We model the bi-directional mappings between an image and the corresponding latent binary representation by training an auto-encoder with a Bernoulli encoding distribution. On the one hand, the binary latent space provides a compact discrete image representation of which the distribution can be modeled more efficiently than pixels or continuous latent representations. On the other hand, we now represent each image patch as a binary vector instead of an index of a learned cookbook as in discrete image representations with vector quantization. In this way, we obtain binary latent representations that allow for better image quality and high-resolution image representations without any multi-stage hierarchy in the latent space. In this binary latent space, images can now be generated effectively using a binary latent diffusion model tailored specifically for modeling the prior over the binary image representations. We present both conditional and unconditional image generation experiments with multiple datasets, and show that the proposed method performs comparably to state-of-the-art methods while dramatically improving the sampling efficiency to as few as 16 steps without using any test-time acceleration. The proposed framework can also be seamlessly scaled to 1024 times 1024 high-resolution image generation without resorting to latent hierarchy or multi-stage refinements.

We show that deep neural networks (DNNs) can efficiently learn any composition of functions with bounded F_{1}-norm, which allows DNNs to break the curse of dimensionality in ways that shallow networks cannot. More specifically, we derive a generalization bound that combines a covering number argument for compositionality, and the F_{1}-norm (or the related Barron norm) for large width adaptivity. We show that the global minimizer of the regularized loss of DNNs can fit for example the composition of two functions f^{*}=hcirc g from a small number of observations, assuming g is smooth/regular and reduces the dimensionality (e.g. g could be the modulo map of the symmetries of f^{*}), so that h can be learned in spite of its low regularity. The measures of regularity we consider is the Sobolev norm with different levels of differentiability, which is well adapted to the F_{1} norm. We compute scaling laws empirically and observe phase transitions depending on whether g or h is harder to learn, as predicted by our theory.

This paper investigates discrepancies in how neural networks learn from different imaging domains, which are commonly overlooked when adopting computer vision techniques from the domain of natural images to other specialized domains such as medical images. Recent works have found that the generalization error of a trained network typically increases with the intrinsic dimension (d_{data}) of its training set. Yet, the steepness of this relationship varies significantly between medical (radiological) and natural imaging domains, with no existing theoretical explanation. We address this gap in knowledge by establishing and empirically validating a generalization scaling law with respect to d_{data}, and propose that the substantial scaling discrepancy between the two considered domains may be at least partially attributed to the higher intrinsic ``label sharpness'' (K_F) of medical imaging datasets, a metric which we propose. Next, we demonstrate an additional benefit of measuring the label sharpness of a training set: it is negatively correlated with the trained model's adversarial robustness, which notably leads to models for medical images having a substantially higher vulnerability to adversarial attack. Finally, we extend our d_{data} formalism to the related metric of learned representation intrinsic dimension (d_{repr}), derive a generalization scaling law with respect to d_{repr}, and show that d_{data} serves as an upper bound for d_{repr}. Our theoretical results are supported by thorough experiments with six models and eleven natural and medical imaging datasets over a range of training set sizes. Our findings offer insights into the influence of intrinsic dataset properties on generalization, representation learning, and robustness in deep neural networks. Code link: https://github.com/mazurowski-lab/intrinsic-properties

Building cross-modal applications is challenging due to limited paired multi-modal data. Recent works have shown that leveraging a pre-trained multi-modal contrastive representation space enables cross-modal tasks to be learned from uni-modal data. This is based on the assumption that contrastive optimization makes embeddings from different modalities interchangeable. However, this assumption is under-explored due to the poorly understood geometry of the multi-modal contrastive space, where a modality gap exists. In our study, we provide a theoretical explanation of this space's geometry and introduce a three-step method, C^3 (Connect, Collapse, Corrupt), to bridge the modality gap, enhancing the interchangeability of embeddings. Our C^3 method significantly improves cross-modal learning from uni-modal data, achieving state-of-the-art results on zero-shot image / audio / video captioning and text-to-image generation.

Recent advances in text-to-image models have enabled high-quality personalized image synthesis of user-provided concepts with flexible textual control. In this work, we analyze the limitations of two primary techniques in text-to-image personalization: Textual Inversion and DreamBooth. When integrating the learned concept into new prompts, Textual Inversion tends to overfit the concept, while DreamBooth often overlooks it. We attribute these issues to the incorrect learning of the embedding alignment for the concept. We introduce AttnDreamBooth, a novel approach that addresses these issues by separately learning the embedding alignment, the attention map, and the subject identity in different training stages. We also introduce a cross-attention map regularization term to enhance the learning of the attention map. Our method demonstrates significant improvements in identity preservation and text alignment compared to the baseline methods.

The capability to learn latent representations plays a key role in the effectiveness of recent machine learning methods. An active frontier in representation learning is understanding representations for combinatorial structures which may not admit well-behaved local neighborhoods or distance functions. For example, for polygons, slightly perturbing vertex locations might lead to significant changes in their combinatorial structure and may even lead to invalid polygons. In this paper, we investigate representations to capture the underlying combinatorial structures of polygons. Specifically, we study the open problem of Visibility Reconstruction: Given a visibility graph G, construct a polygon P whose visibility graph is G. We introduce VisDiff, a novel diffusion-based approach to reconstruct a polygon from its given visibility graph G. Our method first estimates the signed distance function (SDF) of P from G. Afterwards, it extracts ordered vertex locations that have the pairwise visibility relationship given by the edges of G. Our main insight is that going through the SDF significantly improves learning for reconstruction. In order to train VisDiff, we make two main contributions: (1) We design novel loss components for computing the visibility in a differentiable manner and (2) create a carefully curated dataset. We use this dataset to benchmark our method and achieve 21% improvement in F1-Score over standard methods. We also demonstrate effective generalization to out-of-distribution polygon types and show that learning a generative model allows us to sample the set of polygons with a given visibility graph. Finally, we extend our method to the related combinatorial problem of reconstruction from a triangulation. We achieve 95% classification accuracy of triangulation edges and a 4% improvement in Chamfer distance compared to current architectures.

Weakly supervised semantic segmentation (WSSS) typically utilizes limited semantic annotations to obtain initial Class Activation Maps (CAMs). However, due to the inadequate coupling between class activation responses and semantic information in high-dimensional space, the CAM is prone to object co-occurrence or under-activation, resulting in inferior recognition accuracy. To tackle this issue, we propose DOEI, Dual Optimization of Embedding Information, a novel approach that reconstructs embedding representations through semantic-aware attention weight matrices to optimize the expression capability of embedding information. Specifically, DOEI amplifies tokens with high confidence and suppresses those with low confidence during the class-to-patch interaction. This alignment of activation responses with semantic information strengthens the propagation and decoupling of target features, enabling the generated embeddings to more accurately represent target features in high-level semantic space. In addition, we propose a hybrid-feature alignment module in DOEI that combines RGB values, embedding-guided features, and self-attention weights to increase the reliability of candidate tokens. Comprehensive experiments show that DOEI is an effective plug-and-play module that empowers state-of-the-art visual transformer-based WSSS models to significantly improve the quality of CAMs and segmentation performance on popular benchmarks, including PASCAL VOC (+3.6%, +1.5%, +1.2% mIoU) and MS COCO (+1.2%, +1.6% mIoU). Code will be available at https://github.com/AIGeeksGroup/DOEI.

This paper studies the problem of generalized zero-shot learning which requires the model to train on image-label pairs from some seen classes and test on the task of classifying new images from both seen and unseen classes. Most previous models try to learn a fixed one-directional mapping between visual and semantic space, while some recently proposed generative methods try to generate image features for unseen classes so that the zero-shot learning problem becomes a traditional fully-supervised classification problem. In this paper, we propose a novel model that provides a unified framework for three different approaches: visual-> semantic mapping, semantic->visual mapping, and metric learning. Specifically, our proposed model consists of a feature generator that can generate various visual features given class embeddings as input, a regressor that maps each visual feature back to its corresponding class embedding, and a discriminator that learns to evaluate the closeness of an image feature and a class embedding. All three components are trained under the combination of cyclic consistency loss and dual adversarial loss. Experimental results show that our model not only preserves higher accuracy in classifying images from seen classes, but also performs better than existing state-of-the-art models in in classifying images from unseen classes.

We introduce a method for the generation of images from an input scene graph. The method separates between a layout embedding and an appearance embedding. The dual embedding leads to generated images that better match the scene graph, have higher visual quality, and support more complex scene graphs. In addition, the embedding scheme supports multiple and diverse output images per scene graph, which can be further controlled by the user. We demonstrate two modes of per-object control: (i) importing elements from other images, and (ii) navigation in the object space, by selecting an appearance archetype. Our code is publicly available at https://www.github.com/ashual/scene_generation

Despite significant recent advances in the field of face recognition, implementing face verification and recognition efficiently at scale presents serious challenges to current approaches. In this paper we present a system, called FaceNet, that directly learns a mapping from face images to a compact Euclidean space where distances directly correspond to a measure of face similarity. Once this space has been produced, tasks such as face recognition, verification and clustering can be easily implemented using standard techniques with FaceNet embeddings as feature vectors. Our method uses a deep convolutional network trained to directly optimize the embedding itself, rather than an intermediate bottleneck layer as in previous deep learning approaches. To train, we use triplets of roughly aligned matching / non-matching face patches generated using a novel online triplet mining method. The benefit of our approach is much greater representational efficiency: we achieve state-of-the-art face recognition performance using only 128-bytes per face. On the widely used Labeled Faces in the Wild (LFW) dataset, our system achieves a new record accuracy of 99.63%. On YouTube Faces DB it achieves 95.12%. Our system cuts the error rate in comparison to the best published result by 30% on both datasets. We also introduce the concept of harmonic embeddings, and a harmonic triplet loss, which describe different versions of face embeddings (produced by different networks) that are compatible to each other and allow for direct comparison between each other.

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Any-scale image synthesis offers an efficient and scalable solution to synthesize photo-realistic images at any scale, even going beyond 2K resolution. However, existing GAN-based solutions depend excessively on convolutions and a hierarchical architecture, which introduce inconsistency and the ``texture sticking" issue when scaling the output resolution. From another perspective, INR-based generators are scale-equivariant by design, but their huge memory footprint and slow inference hinder these networks from being adopted in large-scale or real-time systems. In this work, we propose Column-Row Entangled Pixel Synthesis (CREPS), a new generative model that is both efficient and scale-equivariant without using any spatial convolutions or coarse-to-fine design. To save memory footprint and make the system scalable, we employ a novel bi-line representation that decomposes layer-wise feature maps into separate ``thick" column and row encodings. Experiments on various datasets, including FFHQ, LSUN-Church, MetFaces, and Flickr-Scenery, confirm CREPS' ability to synthesize scale-consistent and alias-free images at any arbitrary resolution with proper training and inference speed. Code is available at https://github.com/VinAIResearch/CREPS.

Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.

Sparse matrices, more specifically SpGEMM kernels, are commonly found in a wide range of applications, spanning graph-based path-finding to machine learning algorithms (e.g., neural networks). A particular challenge in implementing SpGEMM kernels has been the pressure placed on DRAM memory. One approach to tackle this problem is to use an inner product method for the SpGEMM kernel implementation. While the inner product produces fewer intermediate results, it can end up saturating the memory bandwidth, given the high number of redundant fetches of the input matrix elements. Using an outer product-based SpGEMM kernel can reduce redundant fetches, but at the cost of increased overhead due to extra computation and memory accesses for producing/managing partial products. In this thesis, we introduce a novel SpGEMM kernel implementation based on the row-wise product approach. We leverage atomic instructions to merge intermediate partial products as they are generated. The use of atomic instructions eliminates the need to create partial product matrices. To evaluate our row-wise product approach, we map an optimized SpGEMM kernel to a custom accelerator designed to accelerate graph-based applications. The targeted accelerator is an experimental system named PIUMA, being developed by Intel. PIUMA provides several attractive features, including fast context switching, user-configurable caches, globally addressable memory, non-coherent caches, and asynchronous pipelines. We tailor our SpGEMM kernel to exploit many of the features of the PIUMA fabric. This thesis compares our SpGEMM implementation against prior solutions, all mapped to the PIUMA framework. We briefly describe some of the PIUMA architecture features and then delve into the details of our optimized SpGEMM kernel. Our SpGEMM kernel can achieve 9.4x speedup as compared to competing approaches.

Clustering is central to many data-driven application domains and has been studied extensively in terms of distance functions and grouping algorithms. Relatively little work has focused on learning representations for clustering. In this paper, we propose Deep Embedded Clustering (DEC), a method that simultaneously learns feature representations and cluster assignments using deep neural networks. DEC learns a mapping from the data space to a lower-dimensional feature space in which it iteratively optimizes a clustering objective. Our experimental evaluations on image and text corpora show significant improvement over state-of-the-art methods.

Understanding the decision-making process of Graph Neural Networks (GNNs) is crucial to their interpretability. Most existing methods for explaining GNNs typically rely on training auxiliary models, resulting in the explanations remain black-boxed. This paper introduces Graph Output Attribution (GOAt), a novel method to attribute graph outputs to input graph features, creating GNN explanations that are faithful, discriminative, as well as stable across similar samples. By expanding the GNN as a sum of scalar products involving node features, edge features and activation patterns, we propose an efficient analytical method to compute contribution of each node or edge feature to each scalar product and aggregate the contributions from all scalar products in the expansion form to derive the importance of each node and edge. Through extensive experiments on synthetic and real-world data, we show that our method not only outperforms various state-ofthe-art GNN explainers in terms of the commonly used fidelity metric, but also exhibits stronger discriminability, and stability by a remarkable margin.

Fine-grained and instance-level recognition methods are commonly trained and evaluated on specific domains, in a model per domain scenario. Such an approach, however, is impractical in real large-scale applications. In this work, we address the problem of universal image embedding, where a single universal model is trained and used in multiple domains. First, we leverage existing domain-specific datasets to carefully construct a new large-scale public benchmark for the evaluation of universal image embeddings, with 241k query images, 1.4M index images and 2.8M training images across 8 different domains and 349k classes. We define suitable metrics, training and evaluation protocols to foster future research in this area. Second, we provide a comprehensive experimental evaluation on the new dataset, demonstrating that existing approaches and simplistic extensions lead to worse performance than an assembly of models trained for each domain separately. Finally, we conducted a public research competition on this topic, leveraging industrial datasets, which attracted the participation of more than 1k teams worldwide. This exercise generated many interesting research ideas and findings which we present in detail. Project webpage: https://cmp.felk.cvut.cz/univ_emb/

One persistent obstacle in industrial quality inspection is the detection of anomalies. In real-world use cases, two problems must be addressed: anomalous data is sparse and the same types of anomalies need to be detected on previously unseen objects. Current anomaly detection approaches can be trained with sparse nominal data, whereas domain generalization approaches enable detecting objects in previously unseen domains. Utilizing those two observations, we introduce the hybrid task of domain generalization on sparse classes. To introduce an accompanying dataset for this task, we present a modification of the well-established MVTec AD dataset by generating three new datasets. In addition to applying existing methods for benchmark, we design two embedding-based approaches, Spatial Embedding MLP (SEMLP) and Labeled PatchCore. Overall, SEMLP achieves the best performance with an average image-level AUROC of 87.2 % vs. 80.4 % by MIRO. The new and openly available datasets allow for further research to improve industrial anomaly detection.

Diffusion probabilistic models have achieved remarkable success in text guided image generation. However, generating 3D shapes is still challenging due to the lack of sufficient data containing 3D models along with their descriptions. Moreover, text based descriptions of 3D shapes are inherently ambiguous and lack details. In this paper, we propose a sketch and text guided probabilistic diffusion model for colored point cloud generation that conditions the denoising process jointly with a hand drawn sketch of the object and its textual description. We incrementally diffuse the point coordinates and color values in a joint diffusion process to reach a Gaussian distribution. Colored point cloud generation thus amounts to learning the reverse diffusion process, conditioned by the sketch and text, to iteratively recover the desired shape and color. Specifically, to learn effective sketch-text embedding, our model adaptively aggregates the joint embedding of text prompt and the sketch based on a capsule attention network. Our model uses staged diffusion to generate the shape and then assign colors to different parts conditioned on the appearance prompt while preserving precise shapes from the first stage. This gives our model the flexibility to extend to multiple tasks, such as appearance re-editing and part segmentation. Experimental results demonstrate that our model outperforms recent state-of-the-art in point cloud generation.

We investigate novel random graph embeddings that can be computed in expected polynomial time and that are able to distinguish all non-isomorphic graphs in expectation. Previous graph embeddings have limited expressiveness and either cannot distinguish all graphs or cannot be computed efficiently for every graph. To be able to approximate arbitrary functions on graphs, we are interested in efficient alternatives that become arbitrarily expressive with increasing resources. Our approach is based on Lov\'asz' characterisation of graph isomorphism through an infinite dimensional vector of homomorphism counts. Our empirical evaluation shows competitive results on several benchmark graph learning tasks.

This paper presents a new, provably-convergent algorithm for computing the flag-mean and flag-median of a set of points on a flag manifold under the chordal metric. The flag manifold is a mathematical space consisting of flags, which are sequences of nested subspaces of a vector space that increase in dimension. The flag manifold is a superset of a wide range of known matrix spaces, including Stiefel and Grassmanians, making it a general object that is useful in a wide variety computer vision problems. To tackle the challenge of computing first order flag statistics, we first transform the problem into one that involves auxiliary variables constrained to the Stiefel manifold. The Stiefel manifold is a space of orthogonal frames, and leveraging the numerical stability and efficiency of Stiefel-manifold optimization enables us to compute the flag-mean effectively. Through a series of experiments, we show the competence of our method in Grassmann and rotation averaging, as well as principal component analysis. We release our source code under https://github.com/nmank/FlagAveraging.

Vector graphic documents present visual elements in a resolution free, compact format and are often seen in creative applications. In this work, we attempt to learn a generative model of vector graphic documents. We define vector graphic documents by a multi-modal set of attributes associated to a canvas and a sequence of visual elements such as shapes, images, or texts, and train variational auto-encoders to learn the representation of the documents. We collect a new dataset of design templates from an online service that features complete document structure including occluded elements. In experiments, we show that our model, named CanvasVAE, constitutes a strong baseline for generative modeling of vector graphic documents.

In this paper, we adopt the Universal Manifold Embedding (UME) framework for the estimation of rigid transformations and extend it, so that it can accommodate scenarios involving partial overlap and differently sampled point clouds. UME is a methodology designed for mapping observations of the same object, related by rigid transformations, into a single low-dimensional linear subspace. This process yields a transformation-invariant representation of the observations, with its matrix form representation being covariant (i.e. equivariant) with the transformation. We extend the UME framework by introducing a UME-compatible feature extraction method augmented with a unique UME contrastive loss and a sampling equalizer. These components are integrated into a comprehensive and robust registration pipeline, named UMERegRobust. We propose the RotKITTI registration benchmark, specifically tailored to evaluate registration methods for scenarios involving large rotations. UMERegRobust achieves better than state-of-the-art performance on the KITTI benchmark, especially when strict precision of (1{\deg}, 10cm) is considered (with an average gain of +9%), and notably outperform SOTA methods on the RotKITTI benchmark (with +45% gain compared the most recent SOTA method).

Building recommendation systems via federated learning (FL) is a new emerging challenge for advancing next-generation Internet service and privacy protection. Existing approaches train shared item embedding by FL while keeping the user embedding private on client side. However, item embedding identical for all clients cannot capture users' individual differences on perceiving the same item and thus leads to poor personalization. Moreover, dense item embedding in FL results in expensive communication cost and latency. To address these challenges, we propose Federated Recommendation with Additive Personalization (FedRAP), which learns a global view of items via FL and a personalized view locally on each user. FedRAP enforces sparsity of the global view to save FL's communication cost and encourages difference between the two views through regularization. We propose an effective curriculum to learn the local and global views progressively with increasing regularization weights. To produce recommendations for an user, FedRAP adds the two views together to obtain a personalized item embedding. FedRAP achieves the best performance in FL setting on multiple benchmarks. It outperforms recent federated recommendation methods and several ablation study baselines.

This paper presents the UniMER dataset to provide the first study on Mathematical Expression Recognition (MER) towards complex real-world scenarios. The UniMER dataset consists of a large-scale training set UniMER-1M offering an unprecedented scale and diversity with one million training instances and a meticulously designed test set UniMER-Test that reflects a diverse range of formula distributions prevalent in real-world scenarios. Therefore, the UniMER dataset enables the training of a robust and high-accuracy MER model and comprehensive evaluation of model performance. Moreover, we introduce the Universal Mathematical Expression Recognition Network (UniMERNet), an innovative framework designed to enhance MER in practical scenarios. UniMERNet incorporates a Length-Aware Module to process formulas of varied lengths efficiently, thereby enabling the model to handle complex mathematical expressions with greater accuracy. In addition, UniMERNet employs our UniMER-1M data and image augmentation techniques to improve the model's robustness under different noise conditions. Our extensive experiments demonstrate that UniMERNet outperforms existing MER models, setting a new benchmark in various scenarios and ensuring superior recognition quality in real-world applications. The dataset and model are available at https://github.com/opendatalab/UniMERNet.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

Generating VectorArt from text prompts is a challenging vision task, requiring diverse yet realistic depictions of the seen as well as unseen entities. However, existing research has been mostly limited to the generation of single objects, rather than comprehensive scenes comprising multiple elements. In response, this work introduces SVGCraft, a novel end-to-end framework for the creation of vector graphics depicting entire scenes from textual descriptions. Utilizing a pre-trained LLM for layout generation from text prompts, this framework introduces a technique for producing masked latents in specified bounding boxes for accurate object placement. It introduces a fusion mechanism for integrating attention maps and employs a diffusion U-Net for coherent composition, speeding up the drawing process. The resulting SVG is optimized using a pre-trained encoder and LPIPS loss with opacity modulation to maximize similarity. Additionally, this work explores the potential of primitive shapes in facilitating canvas completion in constrained environments. Through both qualitative and quantitative assessments, SVGCraft is demonstrated to surpass prior works in abstraction, recognizability, and detail, as evidenced by its performance metrics (CLIP-T: 0.4563, Cosine Similarity: 0.6342, Confusion: 0.66, Aesthetic: 6.7832). The code will be available at https://github.com/ayanban011/SVGCraft.

Recent neural network-based wave functions have achieved state-of-the-art accuracies in modeling ab-initio ground-state potential energy surface. However, these networks can only solve different spatial arrangements of the same set of atoms. To overcome this limitation, we present Graph-learned orbital embeddings (Globe), a neural network-based reparametrization method that can adapt neural wave functions to different molecules. Globe learns representations of local electronic structures that generalize across molecules via spatial message passing by connecting molecular orbitals to covalent bonds. Further, we propose a size-consistent wave function Ansatz, the Molecular orbital network (Moon), tailored to jointly solve Schr\"odinger equations of different molecules. In our experiments, we find Moon converging in 4.5 times fewer steps to similar accuracy as previous methods or to lower energies given the same time. Further, our analysis shows that Moon's energy estimate scales additively with increased system sizes, unlike previous work where we observe divergence. In both computational chemistry and machine learning, we are the first to demonstrate that a single wave function can solve the Schr\"odinger equation of molecules with different atoms jointly.

The discrimination of instance embeddings plays a vital role in associating instances across time for online video instance segmentation (VIS). Instance embedding learning is directly supervised by the contrastive loss computed upon the contrastive items (CIs), which are sets of anchor/positive/negative embeddings. Recent online VIS methods leverage CIs sourced from one reference frame only, which we argue is insufficient for learning highly discriminative embeddings. Intuitively, a possible strategy to enhance CIs is replicating the inference phase during training. To this end, we propose a simple yet effective training strategy, called Consistent Training for Online VIS (CTVIS), which devotes to aligning the training and inference pipelines in terms of building CIs. Specifically, CTVIS constructs CIs by referring inference the momentum-averaged embedding and the memory bank storage mechanisms, and adding noise to the relevant embeddings. Such an extension allows a reliable comparison between embeddings of current instances and the stable representations of historical instances, thereby conferring an advantage in modeling VIS challenges such as occlusion, re-identification, and deformation. Empirically, CTVIS outstrips the SOTA VIS models by up to +5.0 points on three VIS benchmarks, including YTVIS19 (55.1% AP), YTVIS21 (50.1% AP) and OVIS (35.5% AP). Furthermore, we find that pseudo-videos transformed from images can train robust models surpassing fully-supervised ones.

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges, which exceeds the capability of existing embedding systems. We present PyTorch-BigGraph (PBG), an embedding system that incorporates several modifications to traditional multi-relation embedding systems that allow it to scale to graphs with billions of nodes and trillions of edges. PBG uses graph partitioning to train arbitrarily large embeddings on either a single machine or in a distributed environment. We demonstrate comparable performance with existing embedding systems on common benchmarks, while allowing for scaling to arbitrarily large graphs and parallelization on multiple machines. We train and evaluate embeddings on several large social network graphs as well as the full Freebase dataset, which contains over 100 million nodes and 2 billion edges.