Daily Papers

This work studies self-supervised graph learning for text-attributed graphs (TAGs) where nodes are represented by textual attributes. Unlike traditional graph contrastive methods that perturb the numerical feature space and alter the graph's topological structure, we aim to improve view generation through language supervision. This is driven by the prevalence of textual attributes in real applications, which complement graph structures with rich semantic information. However, this presents challenges because of two major reasons. First, text attributes often vary in length and quality, making it difficulty to perturb raw text descriptions without altering their original semantic meanings. Second, although text attributes complement graph structures, they are not inherently well-aligned. To bridge the gap, we introduce GAugLLM, a novel framework for augmenting TAGs. It leverages advanced large language models like Mistral to enhance self-supervised graph learning. Specifically, we introduce a mixture-of-prompt-expert technique to generate augmented node features. This approach adaptively maps multiple prompt experts, each of which modifies raw text attributes using prompt engineering, into numerical feature space. Additionally, we devise a collaborative edge modifier to leverage structural and textual commonalities, enhancing edge augmentation by examining or building connections between nodes. Empirical results across five benchmark datasets spanning various domains underscore our framework's ability to enhance the performance of leading contrastive methods as a plug-in tool. Notably, we observe that the augmented features and graph structure can also enhance the performance of standard generative methods, as well as popular graph neural networks. The open-sourced implementation of our GAugLLM is available at Github.

The transferability of deep neural networks (DNNs) has made significant progress in image and language processing. However, due to the heterogeneity among tables, such DNN bonus is still far from being well exploited on tabular data prediction (e.g., regression or classification tasks). Condensing knowledge from diverse domains, language models (LMs) possess the capability to comprehend feature names from various tables, potentially serving as versatile learners in transferring knowledge across distinct tables and diverse prediction tasks, but their discrete text representation space is inherently incompatible with numerical feature values in tables. In this paper, we present TP-BERTa, a specifically pre-trained LM for tabular data prediction. Concretely, a novel relative magnitude tokenization converts scalar numerical feature values to finely discrete, high-dimensional tokens, and an intra-feature attention approach integrates feature values with the corresponding feature names. Comprehensive experiments demonstrate that our pre-trained TP-BERTa leads the performance among tabular DNNs and is competitive with Gradient Boosted Decision Tree models in typical tabular data regime.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

The advancement of high-performance computing has enabled the generation of large direct numerical simulation (DNS) datasets of turbulent flows, driving the need for efficient compression/decompression techniques that reduce storage demands while maintaining fidelity. Traditional methods, such as the discrete wavelet transform, cannot achieve compression ratios of 8 or higher for complex turbulent flows without introducing significant encoding/decoding errors. On the other hand, a super-resolution-based generative adversarial network (SR-GAN), called ZipGAN, can accurately reconstruct fine-scale features, preserving velocity gradients and structural details, even at a compression ratio of 512, thanks to the more efficient representation of the data in compact latent space. Additional benefits are ascribed to adversarial training. The high GAN training time is significantly reduced with a progressive transfer learning approach and, once trained, they can be applied independently of the Reynolds number. It is demonstrated that ZipGAN can enhance dataset temporal resolution without additional simulation overhead by generating high-quality intermediate fields from compressed snapshots. The ZipGAN discriminator can reliably evaluate the quality of decoded fields, ensuring fidelity even in the absence of original DNS fields. Hence, ZipGAN compression/decompression method presents a highly efficient and scalable alternative for large-scale DNS storage and transfer, offering substantial advantages over the DWT methods in terms of compression efficiency, reconstruction fidelity, and temporal resolution enhancement.

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of optimization goals and spectral graph theory. However, the feature space that dominates representation learning has not been systematically studied in graph neural networks. In this paper, we propose to fill this gap by analyzing the feature space of both spatial and spectral models. We decompose graph neural networks into determined feature spaces and trainable weights, providing the convenience of studying the feature space explicitly using matrix space analysis. In particular, we theoretically find that the feature space tends to be linearly correlated due to repeated aggregations. Motivated by these findings, we propose 1) feature subspaces flattening and 2) structural principal components to expand the feature space. Extensive experiments verify the effectiveness of our proposed more comprehensive feature space, with comparable inference time to the baseline, and demonstrate its efficient convergence capability.

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.

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

Recent studies have drawn attention to the untapped potential of the "star operation" (element-wise multiplication) in network design. While intuitive explanations abound, the foundational rationale behind its application remains largely unexplored. Our study attempts to reveal the star operation's ability to map inputs into high-dimensional, non-linear feature spaces -- akin to kernel tricks -- without widening the network. We further introduce StarNet, a simple yet powerful prototype, demonstrating impressive performance and low latency under compact network structure and efficient budget. Like stars in the sky, the star operation appears unremarkable but holds a vast universe of potential. Our work encourages further exploration across tasks, with codes available at https://github.com/ma-xu/Rewrite-the-Stars.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Real-world visual data exhibit intrinsic hierarchical structures that can be represented effectively in hyperbolic spaces. Hyperbolic neural networks (HNNs) are a promising approach for learning feature representations in such spaces. However, current HNNs in computer vision rely on Euclidean backbones and only project features to the hyperbolic space in the task heads, limiting their ability to fully leverage the benefits of hyperbolic geometry. To address this, we present HCNN, a fully hyperbolic convolutional neural network (CNN) designed for computer vision tasks. Based on the Lorentz model, we generalize fundamental components of CNNs and propose novel formulations of the convolutional layer, batch normalization, and multinomial logistic regression. {Experiments on standard vision tasks demonstrate the promising performance of our HCNN framework in both hybrid and fully hyperbolic settings.} Overall, we believe our contributions provide a foundation for developing more powerful HNNs that can better represent complex structures found in image data. Our code is publicly available at https://github.com/kschwethelm/HyperbolicCV.

Reconstructing both objects and hands in 3D from a single RGB image is complex. Existing methods rely on manually defined hand-object constraints in Euclidean space, leading to suboptimal feature learning. Compared with Euclidean space, hyperbolic space better preserves the geometric properties of meshes thanks to its exponentially-growing space distance, which amplifies the differences between the features based on similarity. In this work, we propose the first precise hand-object reconstruction method in hyperbolic space, namely Dynamic Hyperbolic Attention Network (DHANet), which leverages intrinsic properties of hyperbolic space to learn representative features. Our method that projects mesh and image features into a unified hyperbolic space includes two modules, ie. dynamic hyperbolic graph convolution and image-attention hyperbolic graph convolution. With these two modules, our method learns mesh features with rich geometry-image multi-modal information and models better hand-object interaction. Our method provides a promising alternative for fine hand-object reconstruction in hyperbolic space. Extensive experiments on three public datasets demonstrate that our method outperforms most state-of-the-art methods.

The magnitude of a finite metric space has recently emerged as a novel invariant quantity, allowing to measure the effective size of a metric space. Despite encouraging first results demonstrating the descriptive abilities of the magnitude, such as being able to detect the boundary of a metric space, the potential use cases of magnitude remain under-explored. In this work, we investigate the properties of the magnitude on images, an important data modality in many machine learning applications. By endowing each individual images with its own metric space, we are able to define the concept of magnitude on images and analyse the individual contribution of each pixel with the magnitude vector. In particular, we theoretically show that the previously known properties of boundary detection translate to edge detection abilities in images. Furthermore, we demonstrate practical use cases of magnitude for machine learning applications and propose a novel magnitude model that consists of a computationally efficient magnitude computation and a learnable metric. By doing so, we address the computational hurdle that used to make magnitude impractical for many applications and open the way for the adoption of magnitude in machine learning research.

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.

Neural Architecture Search (NAS) has been a source of dramatic improvements in neural network design, with recent results meeting or exceeding the performance of hand-tuned architectures. However, our understanding of how to represent the search space for neural net architectures and how to search that space efficiently are both still in their infancy. We have performed an in-depth analysis to identify limitations in a widely used search space and a recent architecture search method, Differentiable Architecture Search (DARTS). These findings led us to introduce novel network blocks with a more general, balanced, and consistent design; a better-optimized Cosine Power Annealing learning rate schedule; and other improvements. Our resulting sharpDARTS search is 50% faster with a 20-30% relative improvement in final model error on CIFAR-10 when compared to DARTS. Our best single model run has 1.93% (1.98+/-0.07) validation error on CIFAR-10 and 5.5% error (5.8+/-0.3) on the recently released CIFAR-10.1 test set. To our knowledge, both are state of the art for models of similar size. This model also generalizes competitively to ImageNet at 25.1% top-1 (7.8% top-5) error. We found improvements for existing search spaces but does DARTS generalize to new domains? We propose Differentiable Hyperparameter Grid Search and the HyperCuboid search space, which are representations designed to leverage DARTS for more general parameter optimization. Here we find that DARTS fails to generalize when compared against a human's one shot choice of models. We look back to the DARTS and sharpDARTS search spaces to understand why, and an ablation study reveals an unusual generalization gap. We finally propose Max-W regularization to solve this problem, which proves significantly better than the handmade design. Code will be made available.

Reconstructing interacting hands from a single RGB image is a very challenging task. On the one hand, severe mutual occlusion and similar local appearance between two hands confuse the extraction of visual features, resulting in the misalignment of estimated hand meshes and the image. On the other hand, there are complex spatial relationship between interacting hands, which significantly increases the solution space of hand poses and increases the difficulty of network learning. In this paper, we propose a decoupled iterative refinement framework to achieve pixel-alignment hand reconstruction while efficiently modeling the spatial relationship between hands. Specifically, we define two feature spaces with different characteristics, namely 2D visual feature space and 3D joint feature space. First, we obtain joint-wise features from the visual feature map and utilize a graph convolution network and a transformer to perform intra- and inter-hand information interaction in the 3D joint feature space, respectively. Then, we project the joint features with global information back into the 2D visual feature space in an obfuscation-free manner and utilize the 2D convolution for pixel-wise enhancement. By performing multiple alternate enhancements in the two feature spaces, our method can achieve an accurate and robust reconstruction of interacting hands. Our method outperforms all existing two-hand reconstruction methods by a large margin on the InterHand2.6M dataset.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

Fr\'echet Inception Distance (FID) is the primary metric for ranking models in data-driven generative modeling. While remarkably successful, the metric is known to sometimes disagree with human judgement. We investigate a root cause of these discrepancies, and visualize what FID "looks at" in generated images. We show that the feature space that FID is (typically) computed in is so close to the ImageNet classifications that aligning the histograms of Top-N classifications between sets of generated and real images can reduce FID substantially -- without actually improving the quality of results. Thus, we conclude that FID is prone to intentional or accidental distortions. As a practical example of an accidental distortion, we discuss a case where an ImageNet pre-trained FastGAN achieves a FID comparable to StyleGAN2, while being worse in terms of human evaluation.

Given the exponential growth of the volume of the ball w.r.t. its radius, the hyperbolic space is capable of embedding trees with arbitrarily small distortion and hence has received wide attention for representing hierarchical datasets. However, this exponential growth property comes at a price of numerical instability such that training hyperbolic learning models will sometimes lead to catastrophic NaN problems, encountering unrepresentable values in floating point arithmetic. In this work, we carefully analyze the limitation of two popular models for the hyperbolic space, namely, the Poincar\'e ball and the Lorentz model. We first show that, under the 64 bit arithmetic system, the Poincar\'e ball has a relatively larger capacity than the Lorentz model for correctly representing points. Then, we theoretically validate the superiority of the Lorentz model over the Poincar\'e ball from the perspective of optimization. Given the numerical limitations of both models, we identify one Euclidean parametrization of the hyperbolic space which can alleviate these limitations. We further extend this Euclidean parametrization to hyperbolic hyperplanes and exhibits its ability in improving the performance of hyperbolic SVM.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into four categories, namely recurrent graph neural networks, convolutional graph neural networks, graph autoencoders, and spatial-temporal graph neural networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes, benchmark data sets, and model evaluation of graph neural networks. Finally, we propose potential research directions in this rapidly growing field.

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

We introduce a novel approach for keypoint detection task that combines handcrafted and learned CNN filters within a shallow multi-scale architecture. Handcrafted filters provide anchor structures for learned filters, which localize, score and rank repeatable features. Scale-space representation is used within the network to extract keypoints at different levels. We design a loss function to detect robust features that exist across a range of scales and to maximize the repeatability score. Our Key.Net model is trained on data synthetically created from ImageNet and evaluated on HPatches benchmark. Results show that our approach outperforms state-of-the-art detectors in terms of repeatability, matching performance and complexity.

Deep sparse networks are widely investigated as a neural network architecture for prediction tasks with high-dimensional sparse features, with which feature interaction selection is a critical component. While previous methods primarily focus on how to search feature interaction in a coarse-grained space, less attention has been given to a finer granularity. In this work, we introduce a hybrid-grained feature interaction selection approach that targets both feature field and feature value for deep sparse networks. To explore such expansive space, we propose a decomposed space which is calculated on the fly. We then develop a selection algorithm called OptFeature, which efficiently selects the feature interaction from both the feature field and the feature value simultaneously. Results from experiments on three large real-world benchmark datasets demonstrate that OptFeature performs well in terms of accuracy and efficiency. Additional studies support the feasibility of our method.

Few prior works study deep learning on point sets. PointNet by Qi et al. is a pioneer in this direction. However, by design PointNet does not capture local structures induced by the metric space points live in, limiting its ability to recognize fine-grained patterns and generalizability to complex scenes. In this work, we introduce a hierarchical neural network that applies PointNet recursively on a nested partitioning of the input point set. By exploiting metric space distances, our network is able to learn local features with increasing contextual scales. With further observation that point sets are usually sampled with varying densities, which results in greatly decreased performance for networks trained on uniform densities, we propose novel set learning layers to adaptively combine features from multiple scales. Experiments show that our network called PointNet++ is able to learn deep point set features efficiently and robustly. In particular, results significantly better than state-of-the-art have been obtained on challenging benchmarks of 3D point clouds.

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).

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.

Despite the groundbreaking success of diffusion models in generating high-fidelity images, their latent space remains relatively under-explored, even though it holds significant promise for enabling versatile and interpretable image editing capabilities. The complicated denoising trajectory and high dimensionality of the latent space make it extremely challenging to interpret. Existing methods mainly explore the feature space of U-Net in Diffusion Models (DMs) instead of the latent space itself. In contrast, we directly investigate the latent space via Singular Value Decomposition (SVD) and discover three useful properties that can be used to control generation results without the requirements of data collection and maintain identity fidelity generated images. Based on these properties, we propose a novel image editing framework that is capable of learning arbitrary attributes from one pair of latent codes destined by text prompts in Stable Diffusion Models. To validate our approach, extensive experiments are conducted to demonstrate its effectiveness and flexibility in image editing. We will release our codes soon to foster further research and applications in this area.

In symbolic regression, the goal is to find an analytical expression that accurately fits experimental data with the minimal use of mathematical symbols such as operators, variables, and constants. However, the combinatorial space of possible expressions can make it challenging for traditional evolutionary algorithms to find the correct expression in a reasonable amount of time. To address this issue, Neural Symbolic Regression (NSR) algorithms have been developed that can quickly identify patterns in the data and generate analytical expressions. However, these methods, in their current form, lack the capability to incorporate user-defined prior knowledge, which is often required in natural sciences and engineering fields. To overcome this limitation, we propose a novel neural symbolic regression method, named Neural Symbolic Regression with Hypothesis (NSRwH) that enables the explicit incorporation of assumptions about the expected structure of the ground-truth expression into the prediction process. Our experiments demonstrate that the proposed conditioned deep learning model outperforms its unconditioned counterparts in terms of accuracy while also providing control over the predicted expression structure.

Deep learning approaches have provided state-of-the-art performance in many applications by relying on large and overparameterized neural networks. However, such networks have been shown to be very brittle and are difficult to deploy on resource-limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to a more robust and compact model. Many heuristics exist for model pruning, but empirical studies show that some heuristics improve performance whereas others can make models more brittle or have other side effects. This work aims to shed light on how different pruning methods alter the network's internal feature representation and the corresponding impact on model performance. To facilitate a comprehensive comparison and characterization of the high-dimensional model feature space, we introduce a visual geometric analysis of feature representations. We decomposed and evaluated a set of critical geometric concepts from the common adopted classification loss, and used them to design a visualization system to compare and highlight the impact of pruning on model performance and feature representation. The proposed tool provides an environment for in-depth comparison of pruning methods and a comprehensive understanding of how model response to common data corruption. By leveraging the proposed visualization, machine learning researchers can reveal the similarities between pruning methods and redundant in robustness evaluation benchmarks, obtain geometric insights about the differences between pruned models that achieve superior robustness performance, and identify samples that are robust or fragile to model pruning and common data corruption to model pruning and data corruption but also obtain insights and explanations on how some pruned models achieve superior robustness performance.

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

Input space reconstruction is an attractive representation learning paradigm. Despite interpretability of the reconstruction and generation, we identify a misalignment between learning by reconstruction, and learning for perception. We show that the former allocates a model's capacity towards a subspace of the data explaining the observed variance--a subspace with uninformative features for the latter. For example, the supervised TinyImagenet task with images projected onto the top subspace explaining 90\% of the pixel variance can be solved with 45\% test accuracy. Using the bottom subspace instead, accounting for only 20\% of the pixel variance, reaches 55\% test accuracy. The features for perception being learned last explains the need for long training time, e.g., with Masked Autoencoders. Learning by denoising is a popular strategy to alleviate that misalignment. We prove that while some noise strategies such as masking are indeed beneficial, others such as additive Gaussian noise are not. Yet, even in the case of masking, we find that the benefits vary as a function of the mask's shape, ratio, and the considered dataset. While tuning the noise strategy without knowledge of the perception task seems challenging, we provide first clues on how to detect if a noise strategy is never beneficial regardless of the perception task.

Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.

Zero-shot learning (ZSL) models rely on learning a joint embedding space where both textual/semantic description of object classes and visual representation of object images can be projected to for nearest neighbour search. Despite the success of deep neural networks that learn an end-to-end model between text and images in other vision problems such as image captioning, very few deep ZSL model exists and they show little advantage over ZSL models that utilise deep feature representations but do not learn an end-to-end embedding. In this paper we argue that the key to make deep ZSL models succeed is to choose the right embedding space. Instead of embedding into a semantic space or an intermediate space, we propose to use the visual space as the embedding space. This is because that in this space, the subsequent nearest neighbour search would suffer much less from the hubness problem and thus become more effective. This model design also provides a natural mechanism for multiple semantic modalities (e.g., attributes and sentence descriptions) to be fused and optimised jointly in an end-to-end manner. Extensive experiments on four benchmarks show that our model significantly outperforms the existing models. Code is available at https://github.com/lzrobots/DeepEmbeddingModel_ZSL

Compatible features enable the direct comparison of old and new learned features allowing to use them interchangeably over time. In visual search systems, this eliminates the need to extract new features from the gallery-set when the representation model is upgraded with novel data. This has a big value in real applications as re-indexing the gallery-set can be computationally expensive when the gallery-set is large, or even infeasible due to privacy or other concerns of the application. In this paper, we propose CoReS, a new training procedure to learn representations that are compatible with those previously learned, grounding on the stationarity of the features as provided by fixed classifiers based on polytopes. With this solution, classes are maximally separated in the representation space and maintain their spatial configuration stationary as new classes are added, so that there is no need to learn any mappings between representations nor to impose pairwise training with the previously learned model. We demonstrate that our training procedure largely outperforms the current state of the art and is particularly effective in the case of multiple upgrades of the training-set, which is the typical case in real applications.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

Vector search systems, pivotal in AI applications, often rely on the Hierarchical Navigable Small Worlds (HNSW) algorithm. However, the behaviour of HNSW under real-world scenarios using vectors generated with deep learning models remains under-explored. Existing Approximate Nearest Neighbours (ANN) benchmarks and research typically has an over-reliance on simplistic datasets like MNIST or SIFT1M and fail to reflect the complexity of current use-cases. Our investigation focuses on HNSW's efficacy across a spectrum of datasets, including synthetic vectors tailored to mimic specific intrinsic dimensionalities, widely-used retrieval benchmarks with popular embedding models, and proprietary e-commerce image data with CLIP models. We survey the most popular HNSW vector databases and collate their default parameters to provide a realistic fixed parameterisation for the duration of the paper. We discover that the recall of approximate HNSW search, in comparison to exact K Nearest Neighbours (KNN) search, is linked to the vector space's intrinsic dimensionality and significantly influenced by the data insertion sequence. Our methodology highlights how insertion order, informed by measurable properties such as the pointwise Local Intrinsic Dimensionality (LID) or known categories, can shift recall by up to 12 percentage points. We also observe that running popular benchmark datasets with HNSW instead of KNN can shift rankings by up to three positions for some models. This work underscores the need for more nuanced benchmarks and design considerations in developing robust vector search systems using approximate vector search algorithms. This study presents a number of scenarios with varying real world applicability which aim to better increase understanding and future development of ANN algorithms and embedding

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

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

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep generative models. A key issue with these models is their tendency to output samples outside of the support of the target distribution when learning disconnected distributions. We investigate the relationship between the performance of these models and the geometry of their latent space. Building on recent developments in geometric measure theory, we prove a sufficient condition for optimality in the case where the dimension of the latent space is larger than the number of modes. Through experiments on GANs, we demonstrate the validity of our theoretical results and gain new insights into the latent space geometry of these models. Additionally, we propose a truncation method that enforces a simplicial cluster structure in the latent space and improves the performance of GANs.

Representing visual signals by coordinate-based deep fully-connected networks has been shown advantageous in fitting complex details and solving inverse problems than discrete grid-based representation. However, acquiring such a continuous Implicit Neural Representation (INR) requires tedious per-scene training on tons of signal measurements, which limits its practicality. In this paper, we present a generic INR framework that achieves both data and training efficiency by learning a Neural Implicit Dictionary (NID) from a data collection and representing INR as a functional combination of basis sampled from the dictionary. Our NID assembles a group of coordinate-based subnetworks which are tuned to span the desired function space. After training, one can instantly and robustly acquire an unseen scene representation by solving the coding coefficients. To parallelly optimize a large group of networks, we borrow the idea from Mixture-of-Expert (MoE) to design and train our network with a sparse gating mechanism. Our experiments show that, NID can improve reconstruction of 2D images or 3D scenes by 2 orders of magnitude faster with up to 98% less input data. We further demonstrate various applications of NID in image inpainting and occlusion removal, which are considered to be challenging with vanilla INR. Our codes are available in https://github.com/VITA-Group/Neural-Implicit-Dict.

Adapting pre-trained foundation models for various downstream tasks has been prevalent in artificial intelligence. Due to the vast number of tasks and high costs, adjusting all parameters becomes unfeasible. To mitigate this, several fine-tuning techniques have been developed to update the pre-trained model weights in a more resource-efficient manner, such as through low-rank adjustments. Yet, almost all of these methods focus on linear weights, neglecting the intricacies of parameter spaces in higher dimensions like 4D. Alternatively, some methods can be adapted for high-dimensional parameter space by compressing changes in the original space into two dimensions and then employing low-rank matrix decomposition. However, these approaches destructs the structural integrity of the involved high-dimensional spaces. To tackle the diversity of dimensional spaces across different foundation models and provide a more precise representation of the changes within these spaces, this paper introduces a generalized parameter-efficient fine-tuning framework, FLoRA, designed for various dimensional parameter space. Specifically, utilizing Tucker decomposition, FLoRA asserts that changes in each dimensional parameter space are based on a low-rank core space which maintains the consistent topological structure with the original space. It then models the changes through this core space alongside corresponding weights to reconstruct alterations in the original space. FLoRA effectively preserves the structural integrity of the change of original N-dimensional parameter space, meanwhile decomposes it via low-rank tensor decomposition. Extensive experiments on computer vision, natural language processing and multi-modal tasks validate FLoRA's effectiveness. Codes are available at https://github.com/SJTU-DeepVisionLab/FLoRA.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Scene representations using 3D Gaussian primitives have produced excellent results in modeling the appearance of static and dynamic 3D scenes. Many graphics applications, however, demand the ability to manipulate both the appearance and the physical properties of objects. We introduce Feature Splatting, an approach that unifies physics-based dynamic scene synthesis with rich semantics from vision language foundation models that are grounded by natural language. Our first contribution is a way to distill high-quality, object-centric vision-language features into 3D Gaussians, that enables semi-automatic scene decomposition using text queries. Our second contribution is a way to synthesize physics-based dynamics from an otherwise static scene using a particle-based simulator, in which material properties are assigned automatically via text queries. We ablate key techniques used in this pipeline, to illustrate the challenge and opportunities in using feature-carrying 3D Gaussians as a unified format for appearance, geometry, material properties and semantics grounded on natural language. Project website: https://feature-splatting.github.io/

Hyperbolic neural networks have shown great potential for modeling complex data. However, existing hyperbolic networks are not completely hyperbolic, as they encode features in a hyperbolic space yet formalize most of their operations in the tangent space (a Euclidean subspace) at the origin of the hyperbolic space. This hybrid method greatly limits the modeling ability of networks. In this paper, we propose a fully hyperbolic framework to build hyperbolic networks based on the Lorentz model by adapting the Lorentz transformations (including boost and rotation) to formalize essential operations of neural networks. Moreover, we also prove that linear transformation in tangent spaces used by existing hyperbolic networks is a relaxation of the Lorentz rotation and does not include the boost, implicitly limiting the capabilities of existing hyperbolic networks. The experimental results on four NLP tasks show that our method has better performance for building both shallow and deep networks. Our code will be released to facilitate follow-up research.

Vision Transformers achieved outstanding performance in many computer vision tasks. Early Vision Transformers such as ViT and DeiT adopt global self-attention, which is computationally expensive when the number of patches is large. To improve efficiency, recent Vision Transformers adopt local self-attention mechanisms, where self-attention is computed within local windows. Despite the fact that window-based local self-attention significantly boosts efficiency, it fails to capture the relationships between distant but similar patches in the image plane. To overcome this limitation of image-space local attention, in this paper, we further exploit the locality of patches in the feature space. We group the patches into multiple clusters using their features, and self-attention is computed within every cluster. Such feature-space local attention effectively captures the connections between patches across different local windows but still relevant. We propose a Bilateral lOcal Attention vision Transformer (BOAT), which integrates feature-space local attention with image-space local attention. We further integrate BOAT with both Swin and CSWin models, and extensive experiments on several benchmark datasets demonstrate that our BOAT-CSWin model clearly and consistently outperforms existing state-of-the-art CNN models and vision Transformers.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergence of standard estimators of shape distancex2014a measure of representational dissimilarity proposed by Williams et al. (2021).These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a new method-of-moments estimator with a tunable bias-variance tradeoff. We show that this estimator achieves substantially lower bias than standard estimators in simulation and on neural data, particularly in high-dimensional settings. Thus, we lay the foundation for a rigorous statistical theory for high-dimensional shape analysis, and we contribute a new estimation method that is well-suited to practical scientific settings.

A neural architecture with randomly initialized weights, in the infinite width limit, is equivalent to a Gaussian Random Field whose covariance function is the so-called Neural Network Gaussian Process kernel (NNGP). We prove that a reproducing kernel Hilbert space (RKHS) defined by the NNGP contains only functions that can be approximated by the architecture. To achieve a certain approximation error the required number of neurons in each layer is defined by the RKHS norm of the target function. Moreover, the approximation can be constructed from a supervised dataset by a random multi-layer representation of an input vector, together with training of the last layer's weights. For a 2-layer NN and a domain equal to an n-1-dimensional sphere in {mathbb R}^n, we compare the number of neurons required by Barron's theorem and by the multi-layer features construction. We show that if eigenvalues of the integral operator of the NNGP decay slower than k^{-n-2{3}} where k is an order of an eigenvalue, then our theorem guarantees a more succinct neural network approximation than Barron's theorem. We also make some computational experiments to verify our theoretical findings. Our experiments show that realistic neural networks easily learn target functions even when both theorems do not give any guarantees.

The input space of a neural network with ReLU-like activations is partitioned into multiple linear regions, each corresponding to a specific activation pattern of the included ReLU-like activations. We demonstrate that this partition exhibits the following encoding properties across a variety of deep learning models: (1) {\it determinism}: almost every linear region contains at most one training example. We can therefore represent almost every training example by a unique activation pattern, which is parameterized by a {\it neural code}; and (2) {\it categorization}: according to the neural code, simple algorithms, such as K-Means, K-NN, and logistic regression, can achieve fairly good performance on both training and test data. These encoding properties surprisingly suggest that {\it normal neural networks well-trained for classification behave as hash encoders without any extra efforts.} In addition, the encoding properties exhibit variability in different scenarios. {Further experiments demonstrate that {\it model size}, {\it training time}, {\it training sample size}, {\it regularization}, and {\it label noise} contribute in shaping the encoding properties, while the impacts of the first three are dominant.} We then define an {\it activation hash phase chart} to represent the space expanded by {model size}, training time, training sample size, and the encoding properties, which is divided into three canonical regions: {\it under-expressive regime}, {\it critically-expressive regime}, and {\it sufficiently-expressive regime}. The source code package is available at https://github.com/LeavesLei/activation-code.

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.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

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.

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.

Hyperbolic geometry is gaining traction in machine learning for its effectiveness at capturing hierarchical structures in real-world data. Hyperbolic spaces, where neighborhoods grow exponentially, offer substantial advantages and consistently deliver state-of-the-art results across diverse applications. However, hyperbolic classifiers often grapple with computational challenges. Methods reliant on Riemannian optimization frequently exhibit sluggishness, stemming from the increased computational demands of operations on Riemannian manifolds. In response to these challenges, we present hyperDT, a novel extension of decision tree algorithms into hyperbolic space. Crucially, hyperDT eliminates the need for computationally intensive Riemannian optimization, numerically unstable exponential and logarithmic maps, or pairwise comparisons between points by leveraging inner products to adapt Euclidean decision tree algorithms to hyperbolic space. Our approach is conceptually straightforward and maintains constant-time decision complexity while mitigating the scalability issues inherent in high-dimensional Euclidean spaces. Building upon hyperDT we introduce hyperRF, a hyperbolic random forest model. Extensive benchmarking across diverse datasets underscores the superior performance of these models, providing a swift, precise, accurate, and user-friendly toolkit for hyperbolic data analysis.

Recent works have shown that, when trained at scale, uni-modal 2D vision and text encoders converge to learned features that share remarkable structural properties, despite arising from different representations. However, the role of 3D encoders with respect to other modalities remains unexplored. Furthermore, existing 3D foundation models that leverage large datasets are typically trained with explicit alignment objectives with respect to frozen encoders from other representations. In this work, we investigate the possibility of a posteriori alignment of representations obtained from uni-modal 3D encoders compared to text-based feature spaces. We show that naive post-training feature alignment of uni-modal text and 3D encoders results in limited performance. We then focus on extracting subspaces of the corresponding feature spaces and discover that by projecting learned representations onto well-chosen lower-dimensional subspaces the quality of alignment becomes significantly higher, leading to improved accuracy on matching and retrieval tasks. Our analysis further sheds light on the nature of these shared subspaces, which roughly separate between semantic and geometric data representations. Overall, ours is the first work that helps to establish a baseline for post-training alignment of 3D uni-modal and text feature spaces, and helps to highlight both the shared and unique properties of 3D data compared to other representations.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

We investigate feature universality in large language models (LLMs), a research field that aims to understand how different models similarly represent concepts in the latent spaces of their intermediate layers. Demonstrating feature universality allows discoveries about latent representations to generalize across several models. However, comparing features across LLMs is challenging due to polysemanticity, in which individual neurons often correspond to multiple features rather than distinct ones. This makes it difficult to disentangle and match features across different models. To address this issue, we employ a method known as dictionary learning by using sparse autoencoders (SAEs) to transform LLM activations into more interpretable spaces spanned by neurons corresponding to individual features. After matching feature neurons across models via activation correlation, we apply representational space similarity metrics like Singular Value Canonical Correlation Analysis to analyze these SAE features across different LLMs. Our experiments reveal significant similarities in SAE feature spaces across various LLMs, providing new evidence for feature universality.

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.

Deep learning optimizers are often motivated through a mix of convex and approximate second-order theory. We select three such methods -- Adam, Shampoo and Prodigy -- and argue that each method can instead be understood as a squarely first-order method without convexity assumptions. In fact, after switching off exponential moving averages, each method is equivalent to steepest descent under a particular norm. By generalizing this observation, we chart a new design space for training algorithms. Different operator norms should be assigned to different tensors based on the role that the tensor plays within the network. For example, while linear and embedding layers may have the same weight space of R^{mtimes n}, these layers play different roles and should be assigned different norms. We hope that this idea of carefully metrizing the neural architecture might lead to more stable, scalable and indeed faster training.

Metric space magnitude, an active subject of research in algebraic topology, originally arose in the context of biology, where it was used to represent the effective number of distinct species in an environment. In a more general setting, the magnitude of a metric space is a real number that aims to quantify the effective number of distinct points in the space. The contribution of each point to a metric space's global magnitude, which is encoded by the {\em weighting vector}, captures much of the underlying geometry of the original metric space. Surprisingly, when the metric space is Euclidean, the weighting vector also serves as an effective tool for boundary detection. This allows the weighting vector to serve as the foundation of novel algorithms for classic machine learning tasks such as classification, outlier detection and active learning. We demonstrate, using experiments and comparisons on classic benchmark datasets, the promise of the proposed magnitude and weighting vector-based approaches.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

Sequential learning paradigms pose challenges for gradient-based deep learning due to difficulties incorporating new data and retaining prior knowledge. While Gaussian processes elegantly tackle these problems, they struggle with scalability and handling rich inputs, such as images. To address these issues, we introduce a technique that converts neural networks from weight space to function space, through a dual parameterization. Our parameterization offers: (i) a way to scale function-space methods to large data sets via sparsification, (ii) retention of prior knowledge when access to past data is limited, and (iii) a mechanism to incorporate new data without retraining. Our experiments demonstrate that we can retain knowledge in continual learning and incorporate new data efficiently. We further show its strengths in uncertainty quantification and guiding exploration in model-based RL. Further information and code is available on the project website.

Text-guided diffusion models (TDMs) are widely applied but can fail unexpectedly. Common failures include: (i) natural-looking text prompts generating images with the wrong content, or (ii) different random samples of the latent variables that generate vastly different, and even unrelated, outputs despite being conditioned on the same text prompt. In this work, we aim to study and understand the failure modes of TDMs in more detail. To achieve this, we propose SAGE, the first adversarial search method on TDMs that systematically explores the discrete prompt space and the high-dimensional latent space, to automatically discover undesirable behaviors and failure cases in image generation. We use image classifiers as surrogate loss functions during searching, and employ human inspections to validate the identified failures. For the first time, our method enables efficient exploration of both the discrete and intricate human language space and the challenging latent space, overcoming the gradient vanishing problem. Then, we demonstrate the effectiveness of SAGE on five widely used generative models and reveal four typical failure modes: (1) We find a variety of natural text prompts that generate images failing to capture the semantics of input texts. We further discuss the underlying causes and potential solutions based on the results. (2) We find regions in the latent space that lead to distorted images independent of the text prompt, suggesting that parts of the latent space are not well-structured. (3) We also find latent samples that result in natural-looking images unrelated to the text prompt, implying a possible misalignment between the latent and prompt spaces. (4) By appending a single adversarial token embedding to any input prompts, we can generate a variety of specified target objects. Project page: https://sage-diffusion.github.io/

We build upon time-series classification by leveraging the capabilities of Vision Language Models (VLMs). We find that VLMs produce competitive results after two or less epochs of fine-tuning. We develop a novel approach that incorporates graphical data representations as images in conjunction with numerical data. This approach is rooted in the hypothesis that graphical representations can provide additional contextual information that numerical data alone may not capture. Additionally, providing a graphical representation can circumvent issues such as limited context length faced by LLMs. To further advance this work, we implemented a scalable end-to-end pipeline for training on different scenarios, allowing us to isolate the most effective strategies for transferring learning capabilities from LLMs to Time Series Classification (TSC) tasks. Our approach works with univariate and multivariate time-series data. In addition, we conduct extensive and practical experiments to show how this approach works for time-series classification and generative labels.

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).

In this work, we study how well the learned weights of a neural network utilize the space available to them. This notion is related to capacity, but additionally incorporates the interaction of the network architecture with the dataset. Most learned weights appear to be full rank, and are therefore not amenable to low rank decomposition. This deceptively implies that the weights are utilizing the entire space available to them. We propose a simple data-driven transformation that projects the weights onto the subspace where the data and the weight interact. This preserves the functional mapping of the layer and reveals its low rank structure. In our findings, we conclude that most models utilize a fraction of the available space. For instance, for ViTB-16 and ViTL-16 trained on ImageNet, the mean layer utilization is 35% and 20% respectively. Our transformation results in reducing the parameters to 50% and 25% respectively, while resulting in less than 0.2% accuracy drop after fine-tuning. We also show that self-supervised pre-training drives this utilization up to 70%, justifying its suitability for downstream tasks.

Recent works learn 3D representation explicitly under text-3D guidance. However, limited text-3D data restricts the vocabulary scale and text control of generations. Generators may easily fall into a stereotype concept for certain text prompts, thus losing open-vocabulary generation ability. To tackle this issue, we introduce a conditional 3D generative model, namely TextField3D. Specifically, rather than using the text prompts as input directly, we suggest to inject dynamic noise into the latent space of given text prompts, i.e., Noisy Text Fields (NTFs). In this way, limited 3D data can be mapped to the appropriate range of textual latent space that is expanded by NTFs. To this end, an NTFGen module is proposed to model general text latent code in noisy fields. Meanwhile, an NTFBind module is proposed to align view-invariant image latent code to noisy fields, further supporting image-conditional 3D generation. To guide the conditional generation in both geometry and texture, multi-modal discrimination is constructed with a text-3D discriminator and a text-2.5D discriminator. Compared to previous methods, TextField3D includes three merits: 1) large vocabulary, 2) text consistency, and 3) low latency. Extensive experiments demonstrate that our method achieves a potential open-vocabulary 3D generation capability.

Learning in weight spaces, where neural networks process the weights of other deep neural networks, has emerged as a promising research direction with applications in various fields, from analyzing and editing neural fields and implicit neural representations, to network pruning and quantization. Recent works designed architectures for effective learning in that space, which takes into account its unique, permutation-equivariant, structure. Unfortunately, so far these architectures suffer from severe overfitting and were shown to benefit from large datasets. This poses a significant challenge because generating data for this learning setup is laborious and time-consuming since each data sample is a full set of network weights that has to be trained. In this paper, we address this difficulty by investigating data augmentations for weight spaces, a set of techniques that enable generating new data examples on the fly without having to train additional input weight space elements. We first review several recently proposed data augmentation schemes %that were proposed recently and divide them into categories. We then introduce a novel augmentation scheme based on the Mixup method. We evaluate the performance of these techniques on existing benchmarks as well as new benchmarks we generate, which can be valuable for future studies.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

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.

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.

Novel view synthesis (NVS) enables to generate new images of a scene or convert a set of 2D images into a comprehensive 3D model. In the context of Space Domain Awareness, since space is becoming increasingly congested, NVS can accurately map space objects and debris, improving the safety and efficiency of space operations. Similarly, in Rendezvous and Proximity Operations missions, 3D models can provide details about a target object's shape, size, and orientation, allowing for better planning and prediction of the target's behavior. In this work, we explore the generalization abilities of these reconstruction techniques, aiming to avoid the necessity of retraining for each new scene, by presenting a novel approach to 3D spacecraft reconstruction from single-view images, DreamSat, by fine-tuning the Zero123 XL, a state-of-the-art single-view reconstruction model, on a high-quality dataset of 190 high-quality spacecraft models and integrating it into the DreamGaussian framework. We demonstrate consistent improvements in reconstruction quality across multiple metrics, including Contrastive Language-Image Pretraining (CLIP) score (+0.33%), Peak Signal-to-Noise Ratio (PSNR) (+2.53%), Structural Similarity Index (SSIM) (+2.38%), and Learned Perceptual Image Patch Similarity (LPIPS) (+0.16%) on a test set of 30 previously unseen spacecraft images. Our method addresses the lack of domain-specific 3D reconstruction tools in the space industry by leveraging state-of-the-art diffusion models and 3D Gaussian splatting techniques. This approach maintains the efficiency of the DreamGaussian framework while enhancing the accuracy and detail of spacecraft reconstructions. The code for this work can be accessed on GitHub (https://github.com/ARCLab-MIT/space-nvs).

Despite their many desirable properties, Gaussian processes (GPs) are often compared unfavorably to deep neural networks (NNs) for lacking the ability to learn representations. Recent efforts to bridge the gap between GPs and deep NNs have yielded a new class of inter-domain variational GPs in which the inducing variables correspond to hidden units of a feedforward NN. In this work, we examine some practical issues associated with this approach and propose an extension that leverages the orthogonal decomposition of GPs to mitigate these limitations. In particular, we introduce spherical inter-domain features to construct more flexible data-dependent basis functions for both the principal and orthogonal components of the GP approximation and show that incorporating NN activation features under this framework not only alleviates these shortcomings but is more scalable than alternative strategies. Experiments on multiple benchmark datasets demonstrate the effectiveness of our approach.

Current work on human-machine alignment aims at understanding machine-learned latent spaces and their correspondence to human representations. G{\"a}rdenfors' conceptual spaces is a prominent framework for understanding human representations. Convexity of object regions in conceptual spaces is argued to promote generalizability, few-shot learning, and interpersonal alignment. Based on these insights, we investigate the notion of convexity of concept regions in machine-learned latent spaces. We develop a set of tools for measuring convexity in sampled data and evaluate emergent convexity in layered representations of state-of-the-art deep networks. We show that convexity is robust to basic re-parametrization and, hence, meaningful as a quality of machine-learned latent spaces. We find that approximate convexity is pervasive in neural representations in multiple application domains, including models of images, audio, human activity, text, and medical images. Generally, we observe that fine-tuning increases the convexity of label regions. We find evidence that pretraining convexity of class label regions predicts subsequent fine-tuning performance.

Click-Through Rate prediction is an important task in recommender systems, which aims to estimate the probability of a user to click on a given item. Recently, many deep models have been proposed to learn low-order and high-order feature interactions from original features. However, since useful interactions are always sparse, it is difficult for DNN to learn them effectively under a large number of parameters. In real scenarios, artificial features are able to improve the performance of deep models (such as Wide & Deep Learning), but feature engineering is expensive and requires domain knowledge, making it impractical in different scenarios. Therefore, it is necessary to augment feature space automatically. In this paper, We propose a novel Feature Generation by Convolutional Neural Network (FGCNN) model with two components: Feature Generation and Deep Classifier. Feature Generation leverages the strength of CNN to generate local patterns and recombine them to generate new features. Deep Classifier adopts the structure of IPNN to learn interactions from the augmented feature space. Experimental results on three large-scale datasets show that FGCNN significantly outperforms nine state-of-the-art models. Moreover, when applying some state-of-the-art models as Deep Classifier, better performance is always achieved, showing the great compatibility of our FGCNN model. This work explores a novel direction for CTR predictions: it is quite useful to reduce the learning difficulties of DNN by automatically identifying important features.

State-Space Models (SSMs) have recently emerged as a powerful and efficient alternative to the long-standing transformer architecture. However, existing SSM conceptualizations retain deeply rooted biases from their roots in natural language processing. This constrains their ability to appropriately model the spatially-dependent characteristics of visual inputs. In this paper, we address these limitations by re-deriving modern selective state-space techniques, starting from a natively multidimensional formulation. Currently, prior works attempt to apply natively 1D SSMs to 2D data (i.e. images) by relying on arbitrary combinations of 1D scan directions to capture spatial dependencies. In contrast, Mamba2D improves upon this with a single 2D scan direction that factors in both dimensions of the input natively, effectively modelling spatial dependencies when constructing hidden states. Mamba2D shows comparable performance to prior adaptations of SSMs for vision tasks, on standard image classification evaluations with the ImageNet-1K dataset. Source code is available at https://github.com/cocoalex00/Mamba2D.

Recent studies suggest that deep learning models inductive bias towards favoring simpler features may be one of the sources of shortcut learning. Yet, there has been limited focus on understanding the complexity of the myriad features that models learn. In this work, we introduce a new metric for quantifying feature complexity, based on V-information and capturing whether a feature requires complex computational transformations to be extracted. Using this V-information metric, we analyze the complexities of 10,000 features, represented as directions in the penultimate layer, that were extracted from a standard ImageNet-trained vision model. Our study addresses four key questions: First, we ask what features look like as a function of complexity and find a spectrum of simple to complex features present within the model. Second, we ask when features are learned during training. We find that simpler features dominate early in training, and more complex features emerge gradually. Third, we investigate where within the network simple and complex features flow, and find that simpler features tend to bypass the visual hierarchy via residual connections. Fourth, we explore the connection between features complexity and their importance in driving the networks decision. We find that complex features tend to be less important. Surprisingly, important features become accessible at earlier layers during training, like a sedimentation process, allowing the model to build upon these foundational elements.

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 introduce an Extended Textual Conditioning space in text-to-image models, referred to as P+. This space consists of multiple textual conditions, derived from per-layer prompts, each corresponding to a layer of the denoising U-net of the diffusion model. We show that the extended space provides greater disentangling and control over image synthesis. We further introduce Extended Textual Inversion (XTI), where the images are inverted into P+, and represented by per-layer tokens. We show that XTI is more expressive and precise, and converges faster than the original Textual Inversion (TI) space. The extended inversion method does not involve any noticeable trade-off between reconstruction and editability and induces more regular inversions. We conduct a series of extensive experiments to analyze and understand the properties of the new space, and to showcase the effectiveness of our method for personalizing text-to-image models. Furthermore, we utilize the unique properties of this space to achieve previously unattainable results in object-style mixing using text-to-image models. Project page: https://prompt-plus.github.io

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples. This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications. Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set. We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation. Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to 20times sim 5000times. With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

Existing Neural Radiance Fields (NeRF) methods suffer from the existence of reflective objects, often resulting in blurry or distorted rendering. Instead of calculating a single radiance field, we propose a multi-space neural radiance field (MS-NeRF) that represents the scene using a group of feature fields in parallel sub-spaces, which leads to a better understanding of the neural network toward the existence of reflective and refractive objects. Our multi-space scheme works as an enhancement to existing NeRF methods, with only small computational overheads needed for training and inferring the extra-space outputs. We demonstrate the superiority and compatibility of our approach using three representative NeRF-based models, i.e., NeRF, Mip-NeRF, and Mip-NeRF 360. Comparisons are performed on a novelly constructed dataset consisting of 25 synthetic scenes and 7 real captured scenes with complex reflection and refraction, all having 360-degree viewpoints. Extensive experiments show that our approach significantly outperforms the existing single-space NeRF methods for rendering high-quality scenes concerned with complex light paths through mirror-like objects. Our code and dataset will be publicly available at https://zx-yin.github.io/msnerf.

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.

In an effort to create a more efficient AI system, we introduce a new multi-modality learning framework that leverages a modality-agnostic concept space possessing abstract knowledge and a set of modality-specific projection models tailored to process distinct modality inputs and map them onto the concept space. Decoupled from specific modalities and their associated projection models, the concept space focuses on learning abstract knowledge that is universally applicable across modalities. Subsequently, the knowledge embedded into the concept space streamlines the learning processes of modality-specific projection models. We evaluate our framework on two popular tasks: Image-Text Matching and Visual Question Answering. Our framework achieves performance on par with benchmark models while demonstrating more efficient learning curves.

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

Choosing which properties of the data to use as input to multivariate decision algorithms -- a.k.a. feature selection -- is an important step in solving any problem with machine learning. While there is a clear trend towards training sophisticated deep networks on large numbers of relatively unprocessed inputs (so-called automated feature engineering), for many tasks in physics, sets of theoretically well-motivated and well-understood features already exist. Working with such features can bring many benefits, including greater interpretability, reduced training and run time, and enhanced stability and robustness. We develop a new feature selection method based on Distance Correlation (DisCo), and demonstrate its effectiveness on the tasks of boosted top- and W-tagging. Using our method to select features from a set of over 7,000 energy flow polynomials, we show that we can match the performance of much deeper architectures, by using only ten features and two orders-of-magnitude fewer model parameters.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

Deep-learning models can extract a rich assortment of features from data. Which features a model uses depends not only on predictivity-how reliably a feature indicates train-set labels-but also on availability-how easily the feature can be extracted, or leveraged, from inputs. The literature on shortcut learning has noted examples in which models privilege one feature over another, for example texture over shape and image backgrounds over foreground objects. Here, we test hypotheses about which input properties are more available to a model, and systematically study how predictivity and availability interact to shape models' feature use. We construct a minimal, explicit generative framework for synthesizing classification datasets with two latent features that vary in predictivity and in factors we hypothesize to relate to availability, and quantify a model's shortcut bias-its over-reliance on the shortcut (more available, less predictive) feature at the expense of the core (less available, more predictive) feature. We find that linear models are relatively unbiased, but introducing a single hidden layer with ReLU or Tanh units yields a bias. Our empirical findings are consistent with a theoretical account based on Neural Tangent Kernels. Finally, we study how models used in practice trade off predictivity and availability in naturalistic datasets, discovering availability manipulations which increase models' degree of shortcut bias. Taken together, these findings suggest that the propensity to learn shortcut features is a fundamental characteristic of deep nonlinear architectures warranting systematic study given its role in shaping how models solve tasks.

One of the main methods for computational interpretation of a text is mapping it into a vector in some embedding space. Such vectors can then be used for a variety of textual processing tasks. Recently, most embedding spaces are a product of training large language models (LLMs). One major drawback of this type of representation is their incomprehensibility to humans. Understanding the embedding space is crucial for several important needs, including the need to debug the embedding method and compare it to alternatives, and the need to detect biases hidden in the model. In this paper, we present a novel method of understanding embeddings by transforming a latent embedding space into a comprehensible conceptual space. We present an algorithm for deriving a conceptual space with dynamic on-demand granularity. We devise a new evaluation method, using either human rater or LLM-based raters, to show that the conceptualized vectors indeed represent the semantics of the original latent ones. We show the use of our method for various tasks, including comparing the semantics of alternative models and tracing the layers of the LLM. The code is available online https://github.com/adiSimhi/Interpreting-Embedding-Spaces-by-Conceptualization.

This work addresses composed image retrieval in the context of domain conversion, where the content of a query image is retrieved in the domain specified by the query text. We show that a strong vision-language model provides sufficient descriptive power without additional training. The query image is mapped to the text input space using textual inversion. Unlike common practice that invert in the continuous space of text tokens, we use the discrete word space via a nearest-neighbor search in a text vocabulary. With this inversion, the image is softly mapped across the vocabulary and is made more robust using retrieval-based augmentation. Database images are retrieved by a weighted ensemble of text queries combining mapped words with the domain text. Our method outperforms prior art by a large margin on standard and newly introduced benchmarks. Code: https://github.com/NikosEfth/freedom

Neural graphics primitives are faster and achieve higher quality when their neural networks are augmented by spatial data structures that hold trainable features arranged in a grid. However, existing feature grids either come with a large memory footprint (dense or factorized grids, trees, and hash tables) or slow performance (index learning and vector quantization). In this paper, we show that a hash table with learned probes has neither disadvantage, resulting in a favorable combination of size and speed. Inference is faster than unprobed hash tables at equal quality while training is only 1.2-2.6x slower, significantly outperforming prior index learning approaches. We arrive at this formulation by casting all feature grids into a common framework: they each correspond to a lookup function that indexes into a table of feature vectors. In this framework, the lookup functions of existing data structures can be combined by simple arithmetic combinations of their indices, resulting in Pareto optimal compression and speed.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

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

The use of autoencoders for shape editing or generation through latent space manipulation suffers from unpredictable changes in the output shape. Our autoencoder-based method enables intuitive shape editing in latent space by disentangling latent sub-spaces into style variables and control points on the surface that can be manipulated independently. The key idea is adding a Lipschitz-type constraint to the loss function, i.e. bounding the change of the output shape proportionally to the change in latent space, leading to interpretable latent space representations. The control points on the surface that are part of the latent code of an object can then be freely moved, allowing for intuitive shape editing directly in latent space. We evaluate our method by comparing to state-of-the-art data-driven shape editing methods. We further demonstrate the expressiveness of our learned latent space by leveraging it for unsupervised part segmentation.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

The autoencoder is an unsupervised learning paradigm that aims to create a compact latent representation of data by minimizing the reconstruction loss. However, it tends to overlook the fact that most data (images) are embedded in a lower-dimensional space, which is crucial for effective data representation. To address this limitation, we propose a novel approach called Low-Rank Autoencoder (LoRAE). In LoRAE, we incorporated a low-rank regularizer to adaptively reconstruct a low-dimensional latent space while preserving the basic objective of an autoencoder. This helps embed the data in a lower-dimensional space while preserving important information. It is a simple autoencoder extension that learns low-rank latent space. Theoretically, we establish a tighter error bound for our model. Empirically, our model's superiority shines through various tasks such as image generation and downstream classification. Both theoretical and practical outcomes highlight the importance of acquiring low-dimensional embeddings.

Latent-based image generative models, such as Latent Diffusion Models (LDMs) and Mask Image Models (MIMs), have achieved notable success in image generation tasks. These models typically leverage reconstructive autoencoders like VQGAN or VAE to encode pixels into a more compact latent space and learn the data distribution in the latent space instead of directly from pixels. However, this practice raises a pertinent question: Is it truly the optimal choice? In response, we begin with an intriguing observation: despite sharing the same latent space, autoregressive models significantly lag behind LDMs and MIMs in image generation. This finding contrasts sharply with the field of NLP, where the autoregressive model GPT has established a commanding presence. To address this discrepancy, we introduce a unified perspective on the relationship between latent space and generative models, emphasizing the stability of latent space in image generative modeling. Furthermore, we propose a simple but effective discrete image tokenizer to stabilize the latent space for image generative modeling. Experimental results show that image autoregressive modeling with our tokenizer (DiGIT) benefits both image understanding and image generation with the next token prediction principle, which is inherently straightforward for GPT models but challenging for other generative models. Remarkably, for the first time, a GPT-style autoregressive model for images outperforms LDMs, which also exhibits substantial improvement akin to GPT when scaling up model size. Our findings underscore the potential of an optimized latent space and the integration of discrete tokenization in advancing the capabilities of image generative models. The code is available at https://github.com/DAMO-NLP-SG/DiGIT.

In this paper, we propose an improved quantitative evaluation framework for Generative Adversarial Networks (GANs) on generating domain-specific images, where we improve conventional evaluation methods on two levels: the feature representation and the evaluation metric. Unlike most existing evaluation frameworks which transfer the representation of ImageNet inception model to map images onto the feature space, our framework uses a specialized encoder to acquire fine-grained domain-specific representation. Moreover, for datasets with multiple classes, we propose Class-Aware Frechet Distance (CAFD), which employs a Gaussian mixture model on the feature space to better fit the multi-manifold feature distribution. Experiments and analysis on both the feature level and the image level were conducted to demonstrate improvements of our proposed framework over the recently proposed state-of-the-art FID method. To our best knowledge, we are the first to provide counter examples where FID gives inconsistent results with human judgments. It is shown in the experiments that our framework is able to overcome the shortness of FID and improves robustness. Code will be made available.

Practitioners prune neural networks for efficiency gains and generalization improvements, but few scrutinize the factors determining the prunability of a neural network the maximum fraction of weights that pruning can remove without compromising the model's test accuracy. In this work, we study the properties of input data that may contribute to the prunability of a neural network. For high dimensional input data such as images, text, and audio, the manifold hypothesis suggests that these high dimensional inputs approximately lie on or near a significantly lower dimensional manifold. Prior work demonstrates that the underlying low dimensional structure of the input data may affect the sample efficiency of learning. In this paper, we investigate whether the low dimensional structure of the input data affects the prunability of a neural network.

We present a novel type of neural fields that uses general radial bases for signal representation. State-of-the-art neural fields typically rely on grid-based representations for storing local neural features and N-dimensional linear kernels for interpolating features at continuous query points. The spatial positions of their neural features are fixed on grid nodes and cannot well adapt to target signals. Our method instead builds upon general radial bases with flexible kernel position and shape, which have higher spatial adaptivity and can more closely fit target signals. To further improve the channel-wise capacity of radial basis functions, we propose to compose them with multi-frequency sinusoid functions. This technique extends a radial basis to multiple Fourier radial bases of different frequency bands without requiring extra parameters, facilitating the representation of details. Moreover, by marrying adaptive radial bases with grid-based ones, our hybrid combination inherits both adaptivity and interpolation smoothness. We carefully designed weighting schemes to let radial bases adapt to different types of signals effectively. Our experiments on 2D image and 3D signed distance field representation demonstrate the higher accuracy and compactness of our method than prior arts. When applied to neural radiance field reconstruction, our method achieves state-of-the-art rendering quality, with small model size and comparable training speed.

At initialization, artificial neural networks (ANNs) are equivalent to Gaussian processes in the infinite-width limit, thus connecting them to kernel methods. We prove that the evolution of an ANN during training can also be described by a kernel: during gradient descent on the parameters of an ANN, the network function f_theta (which maps input vectors to output vectors) follows the kernel gradient of the functional cost (which is convex, in contrast to the parameter cost) w.r.t. a new kernel: the Neural Tangent Kernel (NTK). This kernel is central to describe the generalization features of ANNs. While the NTK is random at initialization and varies during training, in the infinite-width limit it converges to an explicit limiting kernel and it stays constant during training. This makes it possible to study the training of ANNs in function space instead of parameter space. Convergence of the training can then be related to the positive-definiteness of the limiting NTK. We prove the positive-definiteness of the limiting NTK when the data is supported on the sphere and the non-linearity is non-polynomial. We then focus on the setting of least-squares regression and show that in the infinite-width limit, the network function f_theta follows a linear differential equation during training. The convergence is fastest along the largest kernel principal components of the input data with respect to the NTK, hence suggesting a theoretical motivation for early stopping. Finally we study the NTK numerically, observe its behavior for wide networks, and compare it to the infinite-width limit.

Visual retrieval systems face significant challenges when updating models with improved representations due to misalignment between the old and new representations. The costly and resource-intensive backfilling process involves recalculating feature vectors for images in the gallery set whenever a new model is introduced. To address this, prior research has explored backward-compatible training methods that enable direct comparisons between new and old representations without backfilling. Despite these advancements, achieving a balance between backward compatibility and the performance of independently trained models remains an open problem. In this paper, we address it by expanding the representation space with additional dimensions and learning an orthogonal transformation to achieve compatibility with old models and, at the same time, integrate new information. This transformation preserves the original feature space's geometry, ensuring that our model aligns with previous versions while also learning new data. Our Orthogonal Compatible Aligned (OCA) approach eliminates the need for re-indexing during model updates and ensures that features can be compared directly across different model updates without additional mapping functions. Experimental results on CIFAR-100 and ImageNet-1k demonstrate that our method not only maintains compatibility with previous models but also achieves state-of-the-art accuracy, outperforming several existing methods.

A myriad of recent breakthroughs in hand-crafted neural architectures for visual recognition have highlighted the urgent need to explore hybrid architectures consisting of diversified building blocks. Meanwhile, neural architecture search methods are surging with an expectation to reduce human efforts. However, whether NAS methods can efficiently and effectively handle diversified search spaces with disparate candidates (e.g. CNNs and transformers) is still an open question. In this work, we present Block-wisely Self-supervised Neural Architecture Search (BossNAS), an unsupervised NAS method that addresses the problem of inaccurate architecture rating caused by large weight-sharing space and biased supervision in previous methods. More specifically, we factorize the search space into blocks and utilize a novel self-supervised training scheme, named ensemble bootstrapping, to train each block separately before searching them as a whole towards the population center. Additionally, we present HyTra search space, a fabric-like hybrid CNN-transformer search space with searchable down-sampling positions. On this challenging search space, our searched model, BossNet-T, achieves up to 82.5% accuracy on ImageNet, surpassing EfficientNet by 2.4% with comparable compute time. Moreover, our method achieves superior architecture rating accuracy with 0.78 and 0.76 Spearman correlation on the canonical MBConv search space with ImageNet and on NATS-Bench size search space with CIFAR-100, respectively, surpassing state-of-the-art NAS methods. Code: https://github.com/changlin31/BossNAS

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

Large-scale vision foundation models such as Segment Anything (SAM) demonstrate impressive performance in zero-shot image segmentation at multiple levels of granularity. However, these zero-shot predictions are rarely 3D-consistent. As the camera viewpoint changes in a scene, so do the segmentation predictions, as well as the characterizations of "coarse" or "fine" granularity. In this work, we address the challenging task of lifting multi-granular and view-inconsistent image segmentations into a hierarchical and 3D-consistent representation. We learn a novel feature field within a Neural Radiance Field (NeRF) representing a 3D scene, whose segmentation structure can be revealed at different scales by simply using different thresholds on feature distance. Our key idea is to learn an ultrametric feature space, which unlike a Euclidean space, exhibits transitivity in distance-based grouping, naturally leading to a hierarchical clustering. Put together, our method takes view-inconsistent multi-granularity 2D segmentations as input and produces a hierarchy of 3D-consistent segmentations as output. We evaluate our method and several baselines on synthetic datasets with multi-view images and multi-granular segmentation, showcasing improved accuracy and viewpoint-consistency. We additionally provide qualitative examples of our model's 3D hierarchical segmentations in real world scenes. The code and dataset are available at https://github.com/hardyho/ultrametric_feature_fields

3D Gaussian Splatting (3DGS) has become the de facto method of 3D representation in many vision tasks. This calls for the 3D understanding directly in this representation space. To facilitate the research in this direction, we first build a large-scale dataset of 3DGS using the commonly used ShapeNet and ModelNet datasets. Our dataset ShapeSplat consists of 65K objects from 87 unique categories, whose labels are in accordance with the respective datasets. The creation of this dataset utilized the compute equivalent of 2 GPU years on a TITAN XP GPU. We utilize our dataset for unsupervised pretraining and supervised finetuning for classification and segmentation tasks. To this end, we introduce \textit{Gaussian-MAE}, which highlights the unique benefits of representation learning from Gaussian parameters. Through exhaustive experiments, we provide several valuable insights. In particular, we show that (1) the distribution of the optimized GS centroids significantly differs from the uniformly sampled point cloud (used for initialization) counterpart; (2) this change in distribution results in degradation in classification but improvement in segmentation tasks when using only the centroids; (3) to leverage additional Gaussian parameters, we propose Gaussian feature grouping in a normalized feature space, along with splats pooling layer, offering a tailored solution to effectively group and embed similar Gaussians, which leads to notable improvement in finetuning tasks.

The recent success of distributed word representations has led to an increased interest in analyzing the properties of their spatial distribution. Several studies have suggested that contextualized word embedding models do not isotropically project tokens into vector space. However, current methods designed to measure isotropy, such as average random cosine similarity and the partition score, have not been thoroughly analyzed and are not appropriate for measuring isotropy. We propose IsoScore: a novel tool that quantifies the degree to which a point cloud uniformly utilizes the ambient vector space. Using rigorously designed tests, we demonstrate that IsoScore is the only tool available in the literature that accurately measures how uniformly distributed variance is across dimensions in vector space. Additionally, we use IsoScore to challenge a number of recent conclusions in the NLP literature that have been derived using brittle metrics of isotropy. We caution future studies from using existing tools to measure isotropy in contextualized embedding space as resulting conclusions will be misleading or altogether inaccurate.

Deep learning models like Transformers and Convolutional Neural Networks (CNNs) have revolutionized various domains, but their parameter-intensive nature hampers deployment in resource-constrained settings. In this paper, we introduce a novel concept utilizes column space and row space of weight matrices, which allows for a substantial reduction in model parameters without compromising performance. Leveraging this paradigm, we achieve parameter-efficient deep learning models.. Our approach applies to both Bottleneck and Attention layers, effectively halving the parameters while incurring only minor performance degradation. Extensive experiments conducted on the ImageNet dataset with ViT and ResNet50 demonstrate the effectiveness of our method, showcasing competitive performance when compared to traditional models. This approach not only addresses the pressing demand for parameter efficient deep learning solutions but also holds great promise for practical deployment in real-world scenarios.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

The deployment of Deep Neural Networks (DNNs) on edge devices is hindered by the substantial gap between performance requirements and available processing power. While recent research has made significant strides in developing pruning methods to build a sparse network for reducing the computing overhead of DNNs, there remains considerable accuracy loss, especially at high pruning ratios. We find that the architectures designed for dense networks by differentiable architecture search methods are ineffective when pruning mechanisms are applied to them. The main reason is that the current method does not support sparse architectures in their search space and uses a search objective that is made for dense networks and does not pay any attention to sparsity. In this paper, we propose a new method to search for sparsity-friendly neural architectures. We do this by adding two new sparse operations to the search space and modifying the search objective. We propose two novel parametric SparseConv and SparseLinear operations in order to expand the search space to include sparse operations. In particular, these operations make a flexible search space due to using sparse parametric versions of linear and convolution operations. The proposed search objective lets us train the architecture based on the sparsity of the search space operations. Quantitative analyses demonstrate that our search architectures outperform those used in the stateof-the-art sparse networks on the CIFAR-10 and ImageNet datasets. In terms of performance and hardware effectiveness, DASS increases the accuracy of the sparse version of MobileNet-v2 from 73.44% to 81.35% (+7.91% improvement) with 3.87x faster inference time.

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.

Denoising Diffusion Models (DDMs) have emerged as a strong competitor to Generative Adversarial Networks (GANs). However, despite their widespread use in image synthesis and editing applications, their latent space is still not as well understood. Recently, a semantic latent space for DDMs, coined `h-space', was shown to facilitate semantic image editing in a way reminiscent of GANs. The h-space is comprised of the bottleneck activations in the DDM's denoiser across all timesteps of the diffusion process. In this paper, we explore the properties of h-space and propose several novel methods for finding meaningful semantic directions within it. We start by studying unsupervised methods for revealing interpretable semantic directions in pretrained DDMs. Specifically, we show that global latent directions emerge as the principal components in the latent space. Additionally, we provide a novel method for discovering image-specific semantic directions by spectral analysis of the Jacobian of the denoiser w.r.t. the latent code. Next, we extend the analysis by finding directions in a supervised fashion in unconditional DDMs. We demonstrate how such directions can be found by relying on either a labeled data set of real images or by annotating generated samples with a domain-specific attribute classifier. We further show how to semantically disentangle the found direction by simple linear projection. Our approaches are applicable without requiring any architectural modifications, text-based guidance, CLIP-based optimization, or model fine-tuning.

Point clouds provide a flexible geometric representation suitable for countless applications in computer graphics; they also comprise the raw output of most 3D data acquisition devices. While hand-designed features on point clouds have long been proposed in graphics and vision, however, the recent overwhelming success of convolutional neural networks (CNNs) for image analysis suggests the value of adapting insight from CNN to the point cloud world. Point clouds inherently lack topological information so designing a model to recover topology can enrich the representation power of point clouds. To this end, we propose a new neural network module dubbed EdgeConv suitable for CNN-based high-level tasks on point clouds including classification and segmentation. EdgeConv acts on graphs dynamically computed in each layer of the network. It is differentiable and can be plugged into existing architectures. Compared to existing modules operating in extrinsic space or treating each point independently, EdgeConv has several appealing properties: It incorporates local neighborhood information; it can be stacked applied to learn global shape properties; and in multi-layer systems affinity in feature space captures semantic characteristics over potentially long distances in the original embedding. We show the performance of our model on standard benchmarks including ModelNet40, ShapeNetPart, and S3DIS.

We introduce MedMNIST v2, a large-scale MNIST-like dataset collection of standardized biomedical images, including 12 datasets for 2D and 6 datasets for 3D. All images are pre-processed into a small size of 28x28 (2D) or 28x28x28 (3D) with the corresponding classification labels so that no background knowledge is required for users. Covering primary data modalities in biomedical images, MedMNIST v2 is designed to perform classification on lightweight 2D and 3D images with various dataset scales (from 100 to 100,000) and diverse tasks (binary/multi-class, ordinal regression, and multi-label). The resulting dataset, consisting of 708,069 2D images and 10,214 3D images in total, could support numerous research / educational purposes in biomedical image analysis, computer vision, and machine learning. We benchmark several baseline methods on MedMNIST v2, including 2D / 3D neural networks and open-source / commercial AutoML tools. The data and code are publicly available at https://medmnist.com/.

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime masymp n asymp p, where m is the sketching size, n the sample size, and p the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.

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.

Machine learning approaches for solving partial differential equations require learning mappings between function spaces. While convolutional or graph neural networks are constrained to discretized functions, neural operators present a promising milestone toward mapping functions directly. Despite impressive results they still face challenges with respect to the domain geometry and typically rely on some form of discretization. In order to alleviate such limitations, we present CORAL, a new method that leverages coordinate-based networks for solving PDEs on general geometries. CORAL is designed to remove constraints on the input mesh, making it applicable to any spatial sampling and geometry. Its ability extends to diverse problem domains, including PDE solving, spatio-temporal forecasting, and inverse problems like geometric design. CORAL demonstrates robust performance across multiple resolutions and performs well in both convex and non-convex domains, surpassing or performing on par with state-of-the-art models.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Neural architecture search (NAS) with an accuracy predictor that predicts the accuracy of candidate architectures has drawn increasing attention due to its simplicity and effectiveness. Previous works usually employ neural network-based predictors which require more delicate design and are easy to overfit. Considering that most architectures are represented as sequences of discrete symbols which are more like tabular data and preferred by non-neural predictors, in this paper, we study an alternative approach which uses non-neural model for accuracy prediction. Specifically, as decision tree based models can better handle tabular data, we leverage gradient boosting decision tree (GBDT) as the predictor for NAS. We demonstrate that the GBDT predictor can achieve comparable (if not better) prediction accuracy than neural network based predictors. Moreover, considering that a compact search space can ease the search process, we propose to prune the search space gradually according to important features derived from GBDT. In this way, NAS can be performed by first pruning the search space and then searching a neural architecture, which is more efficient and effective. Experiments on NASBench-101 and ImageNet demonstrate the effectiveness of using GBDT as predictor for NAS: (1) On NASBench-101, it is 22x, 8x, and 6x more sample efficient than random search, regularized evolution, and Monte Carlo Tree Search (MCTS) in finding the global optimum; (2) It achieves 24.2% top-1 error rate on ImageNet, and further achieves 23.4% top-1 error rate on ImageNet when enhanced with search space pruning. Code is provided at https://github.com/renqianluo/GBDT-NAS.

Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

With the rise of large language models (LLMs) for flexibly processing information as strings, a natural application is regression, specifically by preprocessing string representations into LLM embeddings as downstream features for metric prediction. In this paper, we provide one of the first comprehensive investigations into embedding-based regression and demonstrate that LLM embeddings as features can be better for high-dimensional regression tasks than using traditional feature engineering. This regression performance can be explained in part due to LLM embeddings over numeric data inherently preserving Lipschitz continuity over the feature space. Furthermore, we quantify the contribution of different model effects, most notably model size and language understanding, which we find surprisingly do not always improve regression performance.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

Unsupervised hashing methods typically aim to preserve the similarity between data points in a feature space by mapping them to binary hash codes. However, these methods often overlook the fact that the similarity between data points in the continuous feature space may not be preserved in the discrete hash code space, due to the limited similarity range of hash codes. The similarity range is bounded by the code length and can lead to a problem known as similarity collapse. That is, the positive and negative pairs of data points become less distinguishable from each other in the hash space. To alleviate this problem, in this paper a novel Similarity Distribution Calibration (SDC) method is introduced. SDC aligns the hash code similarity distribution towards a calibration distribution (e.g., beta distribution) with sufficient spread across the entire similarity range, thus alleviating the similarity collapse problem. Extensive experiments show that our SDC outperforms significantly the state-of-the-art alternatives on coarse category-level and instance-level image retrieval. Code is available at https://github.com/kamwoh/sdc.

We investigate the space of weights spanned by a large collection of customized diffusion models. We populate this space by creating a dataset of over 60,000 models, each of which is a base model fine-tuned to insert a different person's visual identity. We model the underlying manifold of these weights as a subspace, which we term weights2weights. We demonstrate three immediate applications of this space -- sampling, editing, and inversion. First, as each point in the space corresponds to an identity, sampling a set of weights from it results in a model encoding a novel identity. Next, we find linear directions in this space corresponding to semantic edits of the identity (e.g., adding a beard). These edits persist in appearance across generated samples. Finally, we show that inverting a single image into this space reconstructs a realistic identity, even if the input image is out of distribution (e.g., a painting). Our results indicate that the weight space of fine-tuned diffusion models behaves as an interpretable latent space of identities.

Normalization layers and activation functions are fundamental components in deep networks and typically co-locate with each other. Here we propose to design them using an automated approach. Instead of designing them separately, we unify them into a single tensor-to-tensor computation graph, and evolve its structure starting from basic mathematical functions. Examples of such mathematical functions are addition, multiplication and statistical moments. The use of low-level mathematical functions, in contrast to the use of high-level modules in mainstream NAS, leads to a highly sparse and large search space which can be challenging for search methods. To address the challenge, we develop efficient rejection protocols to quickly filter out candidate layers that do not work well. We also use multi-objective evolution to optimize each layer's performance across many architectures to prevent overfitting. Our method leads to the discovery of EvoNorms, a set of new normalization-activation layers with novel, and sometimes surprising structures that go beyond existing design patterns. For example, some EvoNorms do not assume that normalization and activation functions must be applied sequentially, nor need to center the feature maps, nor require explicit activation functions. Our experiments show that EvoNorms work well on image classification models including ResNets, MobileNets and EfficientNets but also transfer well to Mask R-CNN with FPN/SpineNet for instance segmentation and to BigGAN for image synthesis, outperforming BatchNorm and GroupNorm based layers in many cases.

Recent advancements in Large Multimodal Models (LMMs) have shown promising results in mathematical reasoning within visual contexts, with models approaching human-level performance on existing benchmarks such as MathVista. However, we observe significant limitations in the diversity of questions and breadth of subjects covered by these benchmarks. To address this issue, we present the MATH-Vision (MATH-V) dataset, a meticulously curated collection of 3,040 high-quality mathematical problems with visual contexts sourced from real math competitions. Spanning 16 distinct mathematical disciplines and graded across 5 levels of difficulty, our dataset provides a comprehensive and diverse set of challenges for evaluating the mathematical reasoning abilities of LMMs. Through extensive experimentation, we unveil a notable performance gap between current LMMs and human performance on MATH-V, underscoring the imperative for further advancements in LMMs. Moreover, our detailed categorization allows for a thorough error analysis of LMMs, offering valuable insights to guide future research and development. The project is available at https://mathvision-cuhk.github.io

Accurate reconstruction of both the geometric and topological details of a 3D object from a single 2D image embodies a fundamental challenge in computer vision. Existing explicit/implicit solutions to this problem struggle to recover self-occluded geometry and/or faithfully reconstruct topological shape structures. To resolve this dilemma, we introduce LIST, a novel neural architecture that leverages local and global image features to accurately reconstruct the geometric and topological structure of a 3D object from a single image. We utilize global 2D features to predict a coarse shape of the target object and then use it as a base for higher-resolution reconstruction. By leveraging both local 2D features from the image and 3D features from the coarse prediction, we can predict the signed distance between an arbitrary point and the target surface via an implicit predictor with great accuracy. Furthermore, our model does not require camera estimation or pixel alignment. It provides an uninfluenced reconstruction from the input-view direction. Through qualitative and quantitative analysis, we show the superiority of our model in reconstructing 3D objects from both synthetic and real-world images against the state of the art.

We introduce an unsupervised feature learning approach that embeds 3D shape information into a single-view image representation. The main idea is a self-supervised training objective that, given only a single 2D image, requires all unseen views of the object to be predictable from learned features. We implement this idea as an encoder-decoder convolutional neural network. The network maps an input image of an unknown category and unknown viewpoint to a latent space, from which a deconvolutional decoder can best "lift" the image to its complete viewgrid showing the object from all viewing angles. Our class-agnostic training procedure encourages the representation to capture fundamental shape primitives and semantic regularities in a data-driven manner---without manual semantic labels. Our results on two widely-used shape datasets show 1) our approach successfully learns to perform "mental rotation" even for objects unseen during training, and 2) the learned latent space is a powerful representation for object recognition, outperforming several existing unsupervised feature learning methods.

Recently, State Space Models (SSMs), with Mamba as a prime example, have shown great promise for long-range dependency modeling with linear complexity. Then, Vision Mamba and the subsequent architectures are presented successively, and they perform well on visual tasks. The crucial step of applying Mamba to visual tasks is to construct 2D visual features in sequential manners. To effectively organize and construct visual features within the 2D image space through 1D selective scan, we propose a novel Multi-Head Scan (MHS) module. The embeddings extracted from the preceding layer are projected into multiple lower-dimensional subspaces. Subsequently, within each subspace, the selective scan is performed along distinct scan routes. The resulting sub-embeddings, obtained from the multi-head scan process, are then integrated and ultimately projected back into the high-dimensional space. Moreover, we incorporate a Scan Route Attention (SRA) mechanism to enhance the module's capability to discern complex structures. To validate the efficacy of our module, we exclusively substitute the 2D-Selective-Scan (SS2D) block in VM-UNet with our proposed module, and we train our models from scratch without using any pre-trained weights. The results indicate a significant improvement in performance while reducing the parameters of the original VM-UNet. The code for this study is publicly available at https://github.com/PixDeep/MHS-VM.

With the goal of understanding the visual concepts that CLIP associates with text prompts, we show that the latent space of CLIP can be visualized solely in terms of linear transformations on simple geometric primitives like circles and straight lines. Although existing approaches achieve this by sketch-synthesis-through-optimization, they do so on the space of B\'ezier curves, which exhibit a wastefully large set of structures that they can evolve into, as most of them are non-essential for generating meaningful sketches. We present CLIPDrawX, an algorithm that provides significantly better visualizations for CLIP text embeddings, using only simple primitive shapes like straight lines and circles. This constrains the set of possible outputs to linear transformations on these primitives, thereby exhibiting an inherently simpler mathematical form. The synthesis process of CLIPDrawX can be tracked end-to-end, with each visual concept being explained exclusively in terms of primitives. Implementation will be released upon acceptance. Project Page: https://clipdrawx.github.io/{https://clipdrawx.github.io/}.

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.

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.

Catastrophic forgetting; the loss of old knowledge upon acquiring new knowledge, is a pitfall faced by deep neural networks in real-world applications. Many prevailing solutions to this problem rely on storing exemplars (previously encountered data), which may not be feasible in applications with memory limitations or privacy constraints. Therefore, the recent focus has been on Non-Exemplar based Class Incremental Learning (NECIL) where a model incrementally learns about new classes without using any past exemplars. However, due to the lack of old data, NECIL methods struggle to discriminate between old and new classes causing their feature representations to overlap. We propose NAPA-VQ: Neighborhood Aware Prototype Augmentation with Vector Quantization, a framework that reduces this class overlap in NECIL. We draw inspiration from Neural Gas to learn the topological relationships in the feature space, identifying the neighboring classes that are most likely to get confused with each other. This neighborhood information is utilized to enforce strong separation between the neighboring classes as well as to generate old class representative prototypes that can better aid in obtaining a discriminative decision boundary between old and new classes. Our comprehensive experiments on CIFAR-100, TinyImageNet, and ImageNet-Subset demonstrate that NAPA-VQ outperforms the State-of-the-art NECIL methods by an average improvement of 5%, 2%, and 4% in accuracy and 10%, 3%, and 9% in forgetting respectively. Our code can be found in https://github.com/TamashaM/NAPA-VQ.git.

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.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

Visual and linguistic concepts naturally organize themselves in a hierarchy, where a textual concept ``dog'' entails all images that contain dogs. Despite being intuitive, current large-scale vision and language models such as CLIP do not explicitly capture such hierarchy. We propose MERU, a contrastive model that yields hyperbolic representations of images and text. Hyperbolic spaces have suitable geometric properties to embed tree-like data, so MERU can better capture the underlying hierarchy in image-text data. Our results show that MERU learns a highly interpretable representation space while being competitive with CLIP's performance on multi-modal tasks like image classification and image-text retrieval.

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.

Polygonal meshes are ubiquitous, but have only played a relatively minor role in the deep learning revolution. State-of-the-art neural generative models for 3D shapes learn implicit functions and generate meshes via expensive iso-surfacing. We overcome these challenges by employing a classical spatial data structure from computer graphics, Binary Space Partitioning (BSP), to facilitate 3D learning. The core operation of BSP involves recursive subdivision of 3D space to obtain convex sets. By exploiting this property, we devise BSP-Net, a network that learns to represent a 3D shape via convex decomposition without supervision. The network is trained to reconstruct a shape using a set of convexes obtained from a BSP-tree built over a set of planes, where the planes and convexes are both defined by learned network weights. BSP-Net directly outputs polygonal meshes from the inferred convexes. The generated meshes are watertight, compact (i.e., low-poly), and well suited to represent sharp geometry. We show that the reconstruction quality by BSP-Net is competitive with those from state-of-the-art methods while using much fewer primitives. We also explore variations to BSP-Net including using a more generic decoder for reconstruction, more general primitives than planes, as well as training a generative model with variational auto-encoders. Code is available at https://github.com/czq142857/BSP-NET-original.

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in model complexity and in the computational resources invested in training these models. Our work questions the underlying paradigm of compressing large training data into ever growing parametric representations. We rather present an orthogonal, semi-parametric approach. We complement comparably small diffusion or autoregressive models with a separate image database and a retrieval strategy. During training we retrieve a set of nearest neighbors from this external database for each training instance and condition the generative model on these informative samples. While the retrieval approach is providing the (local) content, the model is focusing on learning the composition of scenes based on this content. As demonstrated by our experiments, simply swapping the database for one with different contents transfers a trained model post-hoc to a novel domain. The evaluation shows competitive performance on tasks which the generative model has not been trained on, such as class-conditional synthesis, zero-shot stylization or text-to-image synthesis without requiring paired text-image data. With negligible memory and computational overhead for the external database and retrieval we can significantly reduce the parameter count of the generative model and still outperform the state-of-the-art.

Image-generating machine learning models are typically trained with loss functions based on distance in the image space. This often leads to over-smoothed results. We propose a class of loss functions, which we call deep perceptual similarity metrics (DeePSiM), that mitigate this problem. Instead of computing distances in the image space, we compute distances between image features extracted by deep neural networks. This metric better reflects perceptually similarity of images and thus leads to better results. We show three applications: autoencoder training, a modification of a variational autoencoder, and inversion of deep convolutional networks. In all cases, the generated images look sharp and resemble natural images.

Shape abstraction is an important task for simplifying complex geometric structures while retaining essential features. Sweep surfaces, commonly found in human-made objects, aid in this process by effectively capturing and representing object geometry, thereby facilitating abstraction. In this paper, we introduce \papername, a novel approach to shape abstraction through sweep surfaces. We propose an effective parameterization for sweep surfaces, utilizing superellipses for profile representation and B-spline curves for the axis. This compact representation, requiring as few as 14 float numbers, facilitates intuitive and interactive editing while preserving shape details effectively. Additionally, by introducing a differentiable neural sweeper and an encoder-decoder architecture, we demonstrate the ability to predict sweep surface representations without supervision. We show the superiority of our model through several quantitative and qualitative experiments throughout the paper. Our code is available at https://mingrui-zhao.github.io/SweepNet/

Vision Transformer (ViT) demonstrates that Transformer for natural language processing can be applied to computer vision tasks and result in comparable performance to convolutional neural networks (CNN), which have been studied and adopted in computer vision for years. This naturally raises the question of how the performance of ViT can be advanced with design techniques of CNN. To this end, we propose to incorporate two techniques and present ViT-ResNAS, an efficient multi-stage ViT architecture designed with neural architecture search (NAS). First, we propose residual spatial reduction to decrease sequence lengths for deeper layers and utilize a multi-stage architecture. When reducing lengths, we add skip connections to improve performance and stabilize training deeper networks. Second, we propose weight-sharing NAS with multi-architectural sampling. We enlarge a network and utilize its sub-networks to define a search space. A super-network covering all sub-networks is then trained for fast evaluation of their performance. To efficiently train the super-network, we propose to sample and train multiple sub-networks with one forward-backward pass. After that, evolutionary search is performed to discover high-performance network architectures. Experiments on ImageNet demonstrate that ViT-ResNAS achieves better accuracy-MACs and accuracy-throughput trade-offs than the original DeiT and other strong baselines of ViT. Code is available at https://github.com/yilunliao/vit-search.

We investigate the construction of latent spaces through self-supervised learning to support semantically meaningful operations. Analogous to operational amplifiers, these "operational latent spaces" (OpLaS) not only demonstrate semantic structure such as clustering but also support common transformational operations with inherent semantic meaning. Some operational latent spaces are found to have arisen "unintentionally" in the progress toward some (other) self-supervised learning objective, in which unintended but still useful properties are discovered among the relationships of points in the space. Other spaces may be constructed "intentionally" by developers stipulating certain kinds of clustering or transformations intended to produce the desired structure. We focus on the intentional creation of operational latent spaces via self-supervised learning, including the introduction of rotation operators via a novel "FiLMR" layer, which can be used to enable ring-like symmetries found in some musical constructions.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

Deep neural networks are increasingly utilized in various machine learning tasks. However, as these models grow in complexity, they often face calibration issues, despite enhanced prediction accuracy. Many studies have endeavored to improve calibration performance through the use of specific loss functions, data preprocessing and training frameworks. Yet, investigations into calibration properties have been somewhat overlooked. Our study leverages the Neural Architecture Search (NAS) search space, offering an exhaustive model architecture space for thorough calibration properties exploration. We specifically create a model calibration dataset. This dataset evaluates 90 bin-based and 12 additional calibration measurements across 117,702 unique neural networks within the widely employed NATS-Bench search space. Our analysis aims to answer several longstanding questions in the field, using our proposed dataset: (i) Can model calibration be generalized across different datasets? (ii) Can robustness be used as a calibration measurement? (iii) How reliable are calibration metrics? (iv) Does a post-hoc calibration method affect all models uniformly? (v) How does calibration interact with accuracy? (vi) What is the impact of bin size on calibration measurement? (vii) Which architectural designs are beneficial for calibration? Additionally, our study bridges an existing gap by exploring calibration within NAS. By providing this dataset, we enable further research into NAS calibration. As far as we are aware, our research represents the first large-scale investigation into calibration properties and the premier study of calibration issues within NAS. The project page can be found at https://www.taolinwei.com/calibration-study

This paper presents X3D, a family of efficient video networks that progressively expand a tiny 2D image classification architecture along multiple network axes, in space, time, width and depth. Inspired by feature selection methods in machine learning, a simple stepwise network expansion approach is employed that expands a single axis in each step, such that good accuracy to complexity trade-off is achieved. To expand X3D to a specific target complexity, we perform progressive forward expansion followed by backward contraction. X3D achieves state-of-the-art performance while requiring 4.8x and 5.5x fewer multiply-adds and parameters for similar accuracy as previous work. Our most surprising finding is that networks with high spatiotemporal resolution can perform well, while being extremely light in terms of network width and parameters. We report competitive accuracy at unprecedented efficiency on video classification and detection benchmarks. Code will be available at: https://github.com/facebookresearch/SlowFast

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

Driven by advances in recording technology, large-scale high-dimensional datasets have emerged across many scientific disciplines. Especially in biology, clustering is often used to gain insights into the structure of such datasets, for instance to understand the organization of different cell types. However, clustering is known to scale poorly to high dimensions, even though the exact impact of dimensionality is unclear as current benchmark datasets are mostly two-dimensional. Here we propose MNIST-Nd, a set of synthetic datasets that share a key property of real-world datasets, namely that individual samples are noisy and clusters do not perfectly separate. MNIST-Nd is obtained by training mixture variational autoencoders with 2 to 64 latent dimensions on MNIST, resulting in six datasets with comparable structure but varying dimensionality. It thus offers the chance to disentangle the impact of dimensionality on clustering. Preliminary common clustering algorithm benchmarks on MNIST-Nd suggest that Leiden is the most robust for growing dimensions.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.

We consider concept generalization at a large scale in the diverse and natural visual spectrum. Established computational modes (i.e., rule-based or similarity-based) are primarily studied isolated and focus on confined and abstract problem spaces. In this work, we study these two modes when the problem space scales up, and the complexity of concepts becomes diverse. Specifically, at the representational level, we seek to answer how the complexity varies when a visual concept is mapped to the representation space. Prior psychology literature has shown that two types of complexities (i.e., subjective complexity and visual complexity) (Griffiths and Tenenbaum, 2003) build an inverted-U relation (Donderi, 2006; Sun and Firestone, 2021). Leveraging Representativeness of Attribute (RoA), we computationally confirm the following observation: Models use attributes with high RoA to describe visual concepts, and the description length falls in an inverted-U relation with the increment in visual complexity. At the computational level, we aim to answer how the complexity of representation affects the shift between the rule- and similarity-based generalization. We hypothesize that category-conditioned visual modeling estimates the co-occurrence frequency between visual and categorical attributes, thus potentially serving as the prior for the natural visual world. Experimental results show that representations with relatively high subjective complexity outperform those with relatively low subjective complexity in the rule-based generalization, while the trend is the opposite in the similarity-based generalization.

Representation learning, and interpreting learned representations, are key areas of focus in machine learning and neuroscience. Both fields generally use representations as a means to understand or improve a system's computations. In this work, however, we explore surprising dissociations between representation and computation that may pose challenges for such efforts. We create datasets in which we attempt to match the computational role that different features play, while manipulating other properties of the features or the data. We train various deep learning architectures to compute these multiple abstract features about their inputs. We find that their learned feature representations are systematically biased towards representing some features more strongly than others, depending upon extraneous properties such as feature complexity, the order in which features are learned, and the distribution of features over the inputs. For example, features that are simpler to compute or learned first tend to be represented more strongly and densely than features that are more complex or learned later, even if all features are learned equally well. We also explore how these biases are affected by architectures, optimizers, and training regimes (e.g., in transformers, features decoded earlier in the output sequence also tend to be represented more strongly). Our results help to characterize the inductive biases of gradient-based representation learning. These results also highlight a key challenge for interpretability - or for comparing the representations of models and brains - disentangling extraneous biases from the computationally important aspects of a system's internal representations.

Implicit Neural Representations (INR) or neural fields have emerged as a popular framework to encode multimedia signals such as images and radiance fields while retaining high-quality. Recently, learnable feature grids proposed by Instant-NGP have allowed significant speed-up in the training as well as the sampling of INRs by replacing a large neural network with a multi-resolution look-up table of feature vectors and a much smaller neural network. However, these feature grids come at the expense of large memory consumption which can be a bottleneck for storage and streaming applications. In this work, we propose SHACIRA, a simple yet effective task-agnostic framework for compressing such feature grids with no additional post-hoc pruning/quantization stages. We reparameterize feature grids with quantized latent weights and apply entropy regularization in the latent space to achieve high levels of compression across various domains. Quantitative and qualitative results on diverse datasets consisting of images, videos, and radiance fields, show that our approach outperforms existing INR approaches without the need for any large datasets or domain-specific heuristics. Our project page is available at http://shacira.github.io .

We present a simple yet powerful neural network that implicitly represents and renders 3D objects and scenes only from 2D observations. The network models 3D geometries as a general radiance field, which takes a set of 2D images with camera poses and intrinsics as input, constructs an internal representation for each point of the 3D space, and then renders the corresponding appearance and geometry of that point viewed from an arbitrary position. The key to our approach is to learn local features for each pixel in 2D images and to then project these features to 3D points, thus yielding general and rich point representations. We additionally integrate an attention mechanism to aggregate pixel features from multiple 2D views, such that visual occlusions are implicitly taken into account. Extensive experiments demonstrate that our method can generate high-quality and realistic novel views for novel objects, unseen categories and challenging real-world scenes.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

Although text-to-image diffusion models have made significant strides in generating images from text, they are sometimes more inclined to generate images like the data on which the model was trained rather than the provided text. This limitation has hindered their usage in both 2D and 3D applications. To address this problem, we explored the use of negative prompts but found that the current implementation fails to produce desired results, particularly when there is an overlap between the main and negative prompts. To overcome this issue, we propose Perp-Neg, a new algorithm that leverages the geometrical properties of the score space to address the shortcomings of the current negative prompts algorithm. Perp-Neg does not require any training or fine-tuning of the model. Moreover, we experimentally demonstrate that Perp-Neg provides greater flexibility in generating images by enabling users to edit out unwanted concepts from the initially generated images in 2D cases. Furthermore, to extend the application of Perp-Neg to 3D, we conducted a thorough exploration of how Perp-Neg can be used in 2D to condition the diffusion model to generate desired views, rather than being biased toward the canonical views. Finally, we applied our 2D intuition to integrate Perp-Neg with the state-of-the-art text-to-3D (DreamFusion) method, effectively addressing its Janus (multi-head) problem. Our project page is available at https://Perp-Neg.github.io/

We develop a fast, tractable technique called Net-Trim for simplifying a trained neural network. The method is a convex post-processing module, which prunes (sparsifies) a trained network layer by layer, while preserving the internal responses. We present a comprehensive analysis of Net-Trim from both the algorithmic and sample complexity standpoints, centered on a fast, scalable convex optimization program. Our analysis includes consistency results between the initial and retrained models before and after Net-Trim application and guarantees on the number of training samples needed to discover a network that can be expressed using a certain number of nonzero terms. Specifically, if there is a set of weights that uses at most s terms that can re-create the layer outputs from the layer inputs, we can find these weights from O(slog N/s) samples, where N is the input size. These theoretical results are similar to those for sparse regression using the Lasso, and our analysis uses some of the same recently-developed tools (namely recent results on the concentration of measure and convex analysis). Finally, we propose an algorithmic framework based on the alternating direction method of multipliers (ADMM), which allows a fast and simple implementation of Net-Trim for network pruning and compression.

Learning features from data is one of the defining characteristics of deep learning, but our theoretical understanding of the role features play in deep learning is still rudimentary. To address this gap, we introduce a new tool, the interaction tensor, for empirically analyzing the interaction between data and model through features. With the interaction tensor, we make several key observations about how features are distributed in data and how models with different random seeds learn different features. Based on these observations, we propose a conceptual framework for feature learning. Under this framework, the expected accuracy for a single hypothesis and agreement for a pair of hypotheses can both be derived in closed-form. We demonstrate that the proposed framework can explain empirically observed phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with only unlabeled data. Further, our theory also provides explicit construction of natural data distributions that break the GDE. Thus, we believe this work provides valuable new insight into our understanding of feature learning.

Domain Generalization aims to develop models that can generalize to novel and unseen data distributions. In this work, we study how model architectures and pre-training objectives impact feature richness and propose a method to effectively leverage them for domain generalization. Specifically, given a pre-trained feature space, we first discover latent domain structures, referred to as pseudo-domains, that capture domain-specific variations in an unsupervised manner. Next, we augment existing classifiers with these complementary pseudo-domain representations making them more amenable to diverse unseen test domains. We analyze how different pre-training feature spaces differ in the domain-specific variances they capture. Our empirical studies reveal that features from diffusion models excel at separating domains in the absence of explicit domain labels and capture nuanced domain-specific information. On 5 datasets, we show that our very simple framework improves generalization to unseen domains by a maximum test accuracy improvement of over 4% compared to the standard baseline Empirical Risk Minimization (ERM). Crucially, our method outperforms most algorithms that access domain labels during training.

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

Generating time series data using Generative Adversarial Networks (GANs) presents several prevalent challenges, such as slow convergence, information loss in embedding spaces, instability, and performance variability depending on the series length. To tackle these obstacles, we introduce a robust framework aimed at addressing and mitigating these issues effectively. This advanced framework integrates the benefits of an Autoencoder-generated embedding space with the adversarial training dynamics of GANs. This framework benefits from a time series-based loss function and oversight from a supervisory network, both of which capture the stepwise conditional distributions of the data effectively. The generator functions within the latent space, while the discriminator offers essential feedback based on the feature space. Moreover, we introduce an early generation algorithm and an improved neural network architecture to enhance stability and ensure effective generalization across both short and long time series. Through joint training, our framework consistently outperforms existing benchmarks, generating high-quality time series data across a range of real and synthetic datasets with diverse characteristics.

Standard Neural Networks can learn mathematical operations, but they do not extrapolate. Extrapolation means that the model can apply to larger numbers, well beyond those observed during training. Recent architectures tackle arithmetic operations and can extrapolate; however, the equally important problem of quantitative reasoning remains unaddressed. In this work, we propose a novel architectural element, the Neural Status Register (NSR), for quantitative reasoning over numbers. Our NSR relaxes the discrete bit logic of physical status registers to continuous numbers and allows end-to-end learning with gradient descent. Experiments show that the NSR achieves solutions that extrapolate to numbers many orders of magnitude larger than those in the training set. We successfully train the NSR on number comparisons, piecewise discontinuous functions, counting in sequences, recurrently finding minimums, finding shortest paths in graphs, and comparing digits in images.

We generalize the class vectors found in neural networks to linear subspaces (i.e.~points in the Grassmann manifold) and show that the Grassmann Class Representation (GCR) enables the simultaneous improvement in accuracy and feature transferability. In GCR, each class is a subspace and the logit is defined as the norm of the projection of a feature onto the class subspace. We integrate Riemannian SGD into deep learning frameworks such that class subspaces in a Grassmannian are jointly optimized with the rest model parameters. Compared to the vector form, the representative capability of subspaces is more powerful. We show that on ImageNet-1K, the top-1 error of ResNet50-D, ResNeXt50, Swin-T and Deit3-S are reduced by 5.6%, 4.5%, 3.0% and 3.5%, respectively. Subspaces also provide freedom for features to vary and we observed that the intra-class feature variability grows when the subspace dimension increases. Consequently, we found the quality of GCR features is better for downstream tasks. For ResNet50-D, the average linear transfer accuracy across 6 datasets improves from 77.98% to 79.70% compared to the strong baseline of vanilla softmax. For Swin-T, it improves from 81.5% to 83.4% and for Deit3, it improves from 73.8% to 81.4%. With these encouraging results, we believe that more applications could benefit from the Grassmann class representation. Code is released at https://github.com/innerlee/GCR.

Multimodal large language models (LLMs) have demonstrated impressive capabilities in generating high-quality images from textual instructions. However, their performance in generating scientific images--a critical application for accelerating scientific progress--remains underexplored. In this work, we address this gap by introducing ScImage, a benchmark designed to evaluate the multimodal capabilities of LLMs in generating scientific images from textual descriptions. ScImage assesses three key dimensions of understanding: spatial, numeric, and attribute comprehension, as well as their combinations, focusing on the relationships between scientific objects (e.g., squares, circles). We evaluate five models, GPT-4o, Llama, AutomaTikZ, Dall-E, and StableDiffusion, using two modes of output generation: code-based outputs (Python, TikZ) and direct raster image generation. Additionally, we examine four different input languages: English, German, Farsi, and Chinese. Our evaluation, conducted with 11 scientists across three criteria (correctness, relevance, and scientific accuracy), reveals that while GPT-4o produces outputs of decent quality for simpler prompts involving individual dimensions such as spatial, numeric, or attribute understanding in isolation, all models face challenges in this task, especially for more complex prompts.

Recent advancements in state space models, notably Mamba, have demonstrated significant progress in modeling long sequences for tasks like language understanding. Yet, their application in vision tasks has not markedly surpassed the performance of traditional Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs). This paper posits that the key to enhancing Vision Mamba (ViM) lies in optimizing scan directions for sequence modeling. Traditional ViM approaches, which flatten spatial tokens, overlook the preservation of local 2D dependencies, thereby elongating the distance between adjacent tokens. We introduce a novel local scanning strategy that divides images into distinct windows, effectively capturing local dependencies while maintaining a global perspective. Additionally, acknowledging the varying preferences for scan patterns across different network layers, we propose a dynamic method to independently search for the optimal scan choices for each layer, substantially improving performance. Extensive experiments across both plain and hierarchical models underscore our approach's superiority in effectively capturing image representations. For example, our model significantly outperforms Vim-Ti by 3.1% on ImageNet with the same 1.5G FLOPs. Code is available at: https://github.com/hunto/LocalMamba.

We present a method for detecting objects in images using a single deep neural network. Our approach, named SSD, discretizes the output space of bounding boxes into a set of default boxes over different aspect ratios and scales per feature map location. At prediction time, the network generates scores for the presence of each object category in each default box and produces adjustments to the box to better match the object shape. Additionally, the network combines predictions from multiple feature maps with different resolutions to naturally handle objects of various sizes. Our SSD model is simple relative to methods that require object proposals because it completely eliminates proposal generation and subsequent pixel or feature resampling stage and encapsulates all computation in a single network. This makes SSD easy to train and straightforward to integrate into systems that require a detection component. Experimental results on the PASCAL VOC, MS COCO, and ILSVRC datasets confirm that SSD has comparable accuracy to methods that utilize an additional object proposal step and is much faster, while providing a unified framework for both training and inference. Compared to other single stage methods, SSD has much better accuracy, even with a smaller input image size. For 300times 300 input, SSD achieves 72.1% mAP on VOC2007 test at 58 FPS on a Nvidia Titan X and for 500times 500 input, SSD achieves 75.1% mAP, outperforming a comparable state of the art Faster R-CNN model. Code is available at https://github.com/weiliu89/caffe/tree/ssd .

With the ever-increasing volumes of the Earth observation data present in the archives of large programmes such as Copernicus, there is a growing need for efficient vector representations of the underlying raw data. The approach of extracting feature representations from pretrained deep neural networks is a powerful approach that can provide semantic abstractions of the input data. However, the way this is done for imagery archives containing geospatial data has not yet been defined. In this work, an extension is proposed to an existing community project, Major TOM, focused on the provision and standardization of open and free AI-ready datasets for Earth observation. Furthermore, four global and dense embedding datasets are released openly and for free along with the publication of this manuscript, resulting in the most comprehensive global open dataset of geospatial visual embeddings in terms of covered Earth's surface.

We present a novel method for reconstructing a 3D implicit surface from a large-scale, sparse, and noisy point cloud. Our approach builds upon the recently introduced Neural Kernel Fields (NKF) representation. It enjoys similar generalization capabilities to NKF, while simultaneously addressing its main limitations: (a) We can scale to large scenes through compactly supported kernel functions, which enable the use of memory-efficient sparse linear solvers. (b) We are robust to noise, through a gradient fitting solve. (c) We minimize training requirements, enabling us to learn from any dataset of dense oriented points, and even mix training data consisting of objects and scenes at different scales. Our method is capable of reconstructing millions of points in a few seconds, and handling very large scenes in an out-of-core fashion. We achieve state-of-the-art results on reconstruction benchmarks consisting of single objects, indoor scenes, and outdoor scenes.

Semantic representations of text, i.e. representations of natural language which capture meaning by geometry, are essential for areas such as information retrieval and document grouping. High-dimensional trained dense vectors have received much attention in recent years as such representations. We investigate the structure of semantic spaces that arise from embeddings made with Sentence-BERT and find that the representations suffer from a well-known problem in high dimensions called hubness. Hubness results in asymmetric neighborhood relations, such that some texts (the hubs) are neighbours of many other texts while most texts (so-called anti-hubs), are neighbours of few or no other texts. We quantify the semantic quality of the embeddings using hubness scores and error rate of a neighbourhood based classifier. We find that when hubness is high, we can reduce error rate and hubness using hubness reduction methods. We identify a combination of two methods as resulting in the best reduction. For example, on one of the tested pretrained models, this combined method can reduce hubness by about 75% and error rate by about 9%. Thus, we argue that mitigating hubness in the embedding space provides better semantic representations of text.

Diffusion models have been shown to be capable of generating high-quality images, suggesting that they could contain meaningful internal representations. Unfortunately, the feature maps that encode a diffusion model's internal information are spread not only over layers of the network, but also over diffusion timesteps, making it challenging to extract useful descriptors. We propose Diffusion Hyperfeatures, a framework for consolidating multi-scale and multi-timestep feature maps into per-pixel feature descriptors that can be used for downstream tasks. These descriptors can be extracted for both synthetic and real images using the generation and inversion processes. We evaluate the utility of our Diffusion Hyperfeatures on the task of semantic keypoint correspondence: our method achieves superior performance on the SPair-71k real image benchmark. We also demonstrate that our method is flexible and transferable: our feature aggregation network trained on the inversion features of real image pairs can be used on the generation features of synthetic image pairs with unseen objects and compositions. Our code is available at https://diffusion-hyperfeatures.github.io.

A key feature of neural models is that they can produce semantic vector representations of objects (texts, images, speech, etc.) ensuring that similar objects are close to each other in the vector space. While much work has focused on learning representations for other modalities, there are no aligned cross-modal representations for text and knowledge base (KB) elements. One challenge for learning such representations is the lack of parallel data, which we use contrastive training on heuristics-based datasets and data augmentation to overcome, training embedding models on (KB graph, text) pairs. On WebNLG, a cleaner manually crafted dataset, we show that they learn aligned representations suitable for retrieval. We then fine-tune on annotated data to create EREDAT (Ensembled Representations for Evaluation of DAta-to-Text), a similarity metric between English text and KB graphs. EREDAT outperforms or matches state-of-the-art metrics in terms of correlation with human judgments on WebNLG even though, unlike them, it does not require a reference text to compare against.

Visual spatial description (VSD) aims to generate texts that describe the spatial relations of the given objects within images. Existing VSD work merely models the 2D geometrical vision features, thus inevitably falling prey to the problem of skewed spatial understanding of target objects. In this work, we investigate the incorporation of 3D scene features for VSD. With an external 3D scene extractor, we obtain the 3D objects and scene features for input images, based on which we construct a target object-centered 3D spatial scene graph (Go3D-S2G), such that we model the spatial semantics of target objects within the holistic 3D scenes. Besides, we propose a scene subgraph selecting mechanism, sampling topologically-diverse subgraphs from Go3D-S2G, where the diverse local structure features are navigated to yield spatially-diversified text generation. Experimental results on two VSD datasets demonstrate that our framework outperforms the baselines significantly, especially improving on the cases with complex visual spatial relations. Meanwhile, our method can produce more spatially-diversified generation. Code is available at https://github.com/zhaoyucs/VSD.

Recently, several models based on deep neural networks have achieved great success in terms of both reconstruction accuracy and computational performance for single image super-resolution. In these methods, the low resolution (LR) input image is upscaled to the high resolution (HR) space using a single filter, commonly bicubic interpolation, before reconstruction. This means that the super-resolution (SR) operation is performed in HR space. We demonstrate that this is sub-optimal and adds computational complexity. In this paper, we present the first convolutional neural network (CNN) capable of real-time SR of 1080p videos on a single K2 GPU. To achieve this, we propose a novel CNN architecture where the feature maps are extracted in the LR space. In addition, we introduce an efficient sub-pixel convolution layer which learns an array of upscaling filters to upscale the final LR feature maps into the HR output. By doing so, we effectively replace the handcrafted bicubic filter in the SR pipeline with more complex upscaling filters specifically trained for each feature map, whilst also reducing the computational complexity of the overall SR operation. We evaluate the proposed approach using images and videos from publicly available datasets and show that it performs significantly better (+0.15dB on Images and +0.39dB on Videos) and is an order of magnitude faster than previous CNN-based methods.

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.

We propose SketchINR, to advance the representation of vector sketches with implicit neural models. A variable length vector sketch is compressed into a latent space of fixed dimension that implicitly encodes the underlying shape as a function of time and strokes. The learned function predicts the xy point coordinates in a sketch at each time and stroke. Despite its simplicity, SketchINR outperforms existing representations at multiple tasks: (i) Encoding an entire sketch dataset into a fixed size latent vector, SketchINR gives 60times and 10times data compression over raster and vector sketches, respectively. (ii) SketchINR's auto-decoder provides a much higher-fidelity representation than other learned vector sketch representations, and is uniquely able to scale to complex vector sketches such as FS-COCO. (iii) SketchINR supports parallelisation that can decode/render sim100times faster than other learned vector representations such as SketchRNN. (iv) SketchINR, for the first time, emulates the human ability to reproduce a sketch with varying abstraction in terms of number and complexity of strokes. As a first look at implicit sketches, SketchINR's compact high-fidelity representation will support future work in modelling long and complex sketches.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.

The task of vision-based 3D occupancy prediction aims to reconstruct 3D geometry and estimate its semantic classes from 2D color images, where the 2D-to-3D view transformation is an indispensable step. Most previous methods conduct forward projection, such as BEVPooling and VoxelPooling, both of which map the 2D image features into 3D grids. However, the current grid representing features within a certain height range usually introduces many confusing features that belong to other height ranges. To address this challenge, we present Deep Height Decoupling (DHD), a novel framework that incorporates explicit height prior to filter out the confusing features. Specifically, DHD first predicts height maps via explicit supervision. Based on the height distribution statistics, DHD designs Mask Guided Height Sampling (MGHS) to adaptively decouple the height map into multiple binary masks. MGHS projects the 2D image features into multiple subspaces, where each grid contains features within reasonable height ranges. Finally, a Synergistic Feature Aggregation (SFA) module is deployed to enhance the feature representation through channel and spatial affinities, enabling further occupancy refinement. On the popular Occ3D-nuScenes benchmark, our method achieves state-of-the-art performance even with minimal input frames. Source code is released at https://github.com/yanzq95/DHD.

Sparse autoencoders (SAEs) have shown promise in extracting interpretable features from complex neural networks. We present one of the first applications of SAEs to dense text embeddings from large language models, demonstrating their effectiveness in disentangling semantic concepts. By training SAEs on embeddings of over 420,000 scientific paper abstracts from computer science and astronomy, we show that the resulting sparse representations maintain semantic fidelity while offering interpretability. We analyse these learned features, exploring their behaviour across different model capacities and introducing a novel method for identifying ``feature families'' that represent related concepts at varying levels of abstraction. To demonstrate the practical utility of our approach, we show how these interpretable features can be used to precisely steer semantic search, allowing for fine-grained control over query semantics. This work bridges the gap between the semantic richness of dense embeddings and the interpretability of sparse representations. We open source our embeddings, trained sparse autoencoders, and interpreted features, as well as a web app for exploring them.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

We present LoD-NeuS, an efficient neural representation for high-frequency geometry detail recovery and anti-aliased novel view rendering. Drawing inspiration from voxel-based representations with the level of detail (LoD), we introduce a multi-scale tri-plane-based scene representation that is capable of capturing the LoD of the signed distance function (SDF) and the space radiance. Our representation aggregates space features from a multi-convolved featurization within a conical frustum along a ray and optimizes the LoD feature volume through differentiable rendering. Additionally, we propose an error-guided sampling strategy to guide the growth of the SDF during the optimization. Both qualitative and quantitative evaluations demonstrate that our method achieves superior surface reconstruction and photorealistic view synthesis compared to state-of-the-art approaches.

Text-to-image diffusion models have made significant advances in generating and editing high-quality images. As a result, numerous approaches have explored the ability of diffusion model features to understand and process single images for downstream tasks, e.g., classification, semantic segmentation, and stylization. However, significantly less is known about what these features reveal across multiple, different images and objects. In this work, we exploit Stable Diffusion (SD) features for semantic and dense correspondence and discover that with simple post-processing, SD features can perform quantitatively similar to SOTA representations. Interestingly, the qualitative analysis reveals that SD features have very different properties compared to existing representation learning features, such as the recently released DINOv2: while DINOv2 provides sparse but accurate matches, SD features provide high-quality spatial information but sometimes inaccurate semantic matches. We demonstrate that a simple fusion of these two features works surprisingly well, and a zero-shot evaluation using nearest neighbors on these fused features provides a significant performance gain over state-of-the-art methods on benchmark datasets, e.g., SPair-71k, PF-Pascal, and TSS. We also show that these correspondences can enable interesting applications such as instance swapping in two images.

Driven by the appealing properties of neural fields for storing and communicating 3D data, the problem of directly processing them to address tasks such as classification and part segmentation has emerged and has been investigated in recent works. Early approaches employ neural fields parameterized by shared networks trained on the whole dataset, achieving good task performance but sacrificing reconstruction quality. To improve the latter, later methods focus on individual neural fields parameterized as large Multi-Layer Perceptrons (MLPs), which are, however, challenging to process due to the high dimensionality of the weight space, intrinsic weight space symmetries, and sensitivity to random initialization. Hence, results turn out significantly inferior to those achieved by processing explicit representations, e.g., point clouds or meshes. In the meantime, hybrid representations, in particular based on tri-planes, have emerged as a more effective and efficient alternative to realize neural fields, but their direct processing has not been investigated yet. In this paper, we show that the tri-plane discrete data structure encodes rich information, which can be effectively processed by standard deep-learning machinery. We define an extensive benchmark covering a diverse set of fields such as occupancy, signed/unsigned distance, and, for the first time, radiance fields. While processing a field with the same reconstruction quality, we achieve task performance far superior to frameworks that process large MLPs and, for the first time, almost on par with architectures handling explicit representations.

Large pre-trained models, or foundation models, have shown impressive performance when adapted to a variety of downstream tasks, often out-performing specialized models. Hypernetworks, neural networks that generate some or all of the parameters of another neural network, have become an increasingly important technique for conditioning and generalizing implicit neural representations (INRs), which represent signals or objects such as audio or 3D shapes using a neural network. However, despite the potential benefits of incorporating foundation models in hypernetwork methods, this research direction has not been investigated, likely due to the dissimilarity of the weight generation task with other visual tasks. To address this gap, we (1) show how foundation models can improve hypernetworks with Transformer-based architectures, (2) provide an empirical analysis of the benefits of foundation models for hypernetworks through the lens of the generalizable INR task, showing that leveraging foundation models improves performance, generalizability, and data efficiency across a variety of algorithms and modalities. We also provide further analysis in examining the design space of foundation model-based hypernetworks, including examining the choice of foundation models, algorithms, and the effect of scaling foundation models.

Deep features are a cornerstone of computer vision research, capturing image semantics and enabling the community to solve downstream tasks even in the zero- or few-shot regime. However, these features often lack the spatial resolution to directly perform dense prediction tasks like segmentation and depth prediction because models aggressively pool information over large areas. In this work, we introduce FeatUp, a task- and model-agnostic framework to restore lost spatial information in deep features. We introduce two variants of FeatUp: one that guides features with high-resolution signal in a single forward pass, and one that fits an implicit model to a single image to reconstruct features at any resolution. Both approaches use a multi-view consistency loss with deep analogies to NeRFs. Our features retain their original semantics and can be swapped into existing applications to yield resolution and performance gains even without re-training. We show that FeatUp significantly outperforms other feature upsampling and image super-resolution approaches in class activation map generation, transfer learning for segmentation and depth prediction, and end-to-end training for semantic segmentation.

Given a sample of size N, it is often useful to select a subsample of smaller size n<N to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given N unlabeled samples {{boldsymbol x}_i}_{ile N}, and to be given access to a `surrogate model' that can predict labels y_i better than random guessing. Our goal is to select a subset of the samples, to be denoted by {{boldsymbol x}_i}_{iin G}, of size |G|=n<N. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: (i)~Data selection can be very effective, in particular beating training on the full sample in some cases; (ii)~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

While machine-learned models are now routinely employed to facilitate astronomical inquiry, model inputs tend to be limited to a primary data source (namely images or time series) and, in the more advanced approaches, some metadata. Yet with the growing use of wide-field, multiplexed observational resources, individual sources of interest often have a broad range of observational modes available. Here we construct an astronomical multimodal dataset and propose AstroM^3, a self-supervised pre-training approach that enables a model to learn from multiple modalities simultaneously. Specifically, we extend the CLIP (Contrastive Language-Image Pretraining) model to a trimodal setting, allowing the integration of time-series photometry data, spectra, and astrophysical metadata. In a fine-tuning supervised setting, our results demonstrate that CLIP pre-training improves classification performance for time-series photometry, where accuracy increases from 84.6% to 91.5%. Furthermore, CLIP boosts classification accuracy by up to 12.6% when the availability of labeled data is limited, showing the effectiveness of leveraging larger corpora of unlabeled data. In addition to fine-tuned classification, we can use the trained model in other downstream tasks that are not explicitly contemplated during the construction of the self-supervised model. In particular we show the efficacy of using the learned embeddings for misclassifications identification, similarity search, and anomaly detection. One surprising highlight is the "rediscovery" of Mira subtypes and two Rotational variable subclasses using manifold learning and dimension reduction algorithm. To our knowledge this is the first construction of an n>2 mode model in astronomy. Extensions to n>3 modes is naturally anticipated with this approach.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.

Remote sensing image scene classification plays an important role in a wide range of applications and hence has been receiving remarkable attention. During the past years, significant efforts have been made to develop various datasets or present a variety of approaches for scene classification from remote sensing images. However, a systematic review of the literature concerning datasets and methods for scene classification is still lacking. In addition, almost all existing datasets have a number of limitations, including the small scale of scene classes and the image numbers, the lack of image variations and diversity, and the saturation of accuracy. These limitations severely limit the development of new approaches especially deep learning-based methods. This paper first provides a comprehensive review of the recent progress. Then, we propose a large-scale dataset, termed "NWPU-RESISC45", which is a publicly available benchmark for REmote Sensing Image Scene Classification (RESISC), created by Northwestern Polytechnical University (NWPU). This dataset contains 31,500 images, covering 45 scene classes with 700 images in each class. The proposed NWPU-RESISC45 (i) is large-scale on the scene classes and the total image number, (ii) holds big variations in translation, spatial resolution, viewpoint, object pose, illumination, background, and occlusion, and (iii) has high within-class diversity and between-class similarity. The creation of this dataset will enable the community to develop and evaluate various data-driven algorithms. Finally, several representative methods are evaluated using the proposed dataset and the results are reported as a useful baseline for future research.

Reliable application of machine learning is of primary importance to the practical deployment of deep learning methods. A fundamental challenge is that models are often unreliable due to overconfidence. In this paper, we estimate a model's reliability by measuring the agreement between its latent space, and the latent space of a foundation model. However, it is challenging to measure the agreement between two different latent spaces due to their incoherence, \eg, arbitrary rotations and different dimensionality. To overcome this incoherence issue, we design a neighborhood agreement measure between latent spaces and find that this agreement is surprisingly well-correlated with the reliability of a model's predictions. Further, we show that fusing neighborhood agreement into a model's predictive confidence in a post-hoc way significantly improves its reliability. Theoretical analysis and extensive experiments on failure detection across various datasets verify the effectiveness of our method on both in-distribution and out-of-distribution settings.

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

t-distributed Stochastic Neighborhood Embedding (t-SNE) is a method for dimensionality reduction and visualization that has become widely popular in recent years. Efficient implementations of t-SNE are available, but they scale poorly to datasets with hundreds of thousands to millions of high dimensional data-points. We present Fast Fourier Transform-accelerated Interpolation-based t-SNE (FIt-SNE), which dramatically accelerates the computation of t-SNE. The most time-consuming step of t-SNE is a convolution that we accelerate by interpolating onto an equispaced grid and subsequently using the fast Fourier transform to perform the convolution. We also optimize the computation of input similarities in high dimensions using multi-threaded approximate nearest neighbors. We further present a modification to t-SNE called "late exaggeration," which allows for easier identification of clusters in t-SNE embeddings. Finally, for datasets that cannot be loaded into the memory, we present out-of-core randomized principal component analysis (oocPCA), so that the top principal components of a dataset can be computed without ever fully loading the matrix, hence allowing for t-SNE of large datasets to be computed on resource-limited machines.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

To leverage the copious amount of data from source tasks and overcome the scarcity of the target task samples, representation learning based on multi-task pretraining has become a standard approach in many applications. However, up until now, most existing works design a source task selection strategy from a purely empirical perspective. Recently, chen2022active gave the first active multi-task representation learning (A-MTRL) algorithm which adaptively samples from source tasks and can provably reduce the total sample complexity using the L2-regularized-target-source-relevance parameter nu^2. But their work is theoretically suboptimal in terms of total source sample complexity and is less practical in some real-world scenarios where sparse training source task selection is desired. In this paper, we address both issues. Specifically, we show the strict dominance of the L1-regularized-relevance-based (nu^1-based) strategy by giving a lower bound for the nu^2-based strategy. When nu^1 is unknown, we propose a practical algorithm that uses the LASSO program to estimate nu^1. Our algorithm successfully recovers the optimal result in the known case. In addition to our sample complexity results, we also characterize the potential of our nu^1-based strategy in sample-cost-sensitive settings. Finally, we provide experiments on real-world computer vision datasets to illustrate the effectiveness of our proposed method.

Given appropriate representations of the semantic relations between carpenter and wood and between mason and stone (for example, vectors in a vector space model), a suitable algorithm should be able to recognize that these relations are highly similar (carpenter is to wood as mason is to stone; the relations are analogous). Likewise, with representations of dog, house, and kennel, an algorithm should be able to recognize that the semantic composition of dog and house, dog house, is highly similar to kennel (dog house and kennel are synonymous). It seems that these two tasks, recognizing relations and compositions, are closely connected. However, up to now, the best models for relations are significantly different from the best models for compositions. In this paper, we introduce a dual-space model that unifies these two tasks. This model matches the performance of the best previous models for relations and compositions. The dual-space model consists of a space for measuring domain similarity and a space for measuring function similarity. Carpenter and wood share the same domain, the domain of carpentry. Mason and stone share the same domain, the domain of masonry. Carpenter and mason share the same function, the function of artisans. Wood and stone share the same function, the function of materials. In the composition dog house, kennel has some domain overlap with both dog and house (the domains of pets and buildings). The function of kennel is similar to the function of house (the function of shelters). By combining domain and function similarities in various ways, we can model relations, compositions, and other aspects of semantics.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

We target a 3D generative model for general natural scenes that are typically unique and intricate. Lacking the necessary volumes of training data, along with the difficulties of having ad hoc designs in presence of varying scene characteristics, renders existing setups intractable. Inspired by classical patch-based image models, we advocate for synthesizing 3D scenes at the patch level, given a single example. At the core of this work lies important algorithmic designs w.r.t the scene representation and generative patch nearest-neighbor module, that address unique challenges arising from lifting classical 2D patch-based framework to 3D generation. These design choices, on a collective level, contribute to a robust, effective, and efficient model that can generate high-quality general natural scenes with both realistic geometric structure and visual appearance, in large quantities and varieties, as demonstrated upon a variety of exemplar scenes.

Developing neural network image classification models often requires significant architecture engineering. In this paper, we study a method to learn the model architectures directly on the dataset of interest. As this approach is expensive when the dataset is large, we propose to search for an architectural building block on a small dataset and then transfer the block to a larger dataset. The key contribution of this work is the design of a new search space (the "NASNet search space") which enables transferability. In our experiments, we search for the best convolutional layer (or "cell") on the CIFAR-10 dataset and then apply this cell to the ImageNet dataset by stacking together more copies of this cell, each with their own parameters to design a convolutional architecture, named "NASNet architecture". We also introduce a new regularization technique called ScheduledDropPath that significantly improves generalization in the NASNet models. On CIFAR-10 itself, NASNet achieves 2.4% error rate, which is state-of-the-art. On ImageNet, NASNet achieves, among the published works, state-of-the-art accuracy of 82.7% top-1 and 96.2% top-5 on ImageNet. Our model is 1.2% better in top-1 accuracy than the best human-invented architectures while having 9 billion fewer FLOPS - a reduction of 28% in computational demand from the previous state-of-the-art model. When evaluated at different levels of computational cost, accuracies of NASNets exceed those of the state-of-the-art human-designed models. For instance, a small version of NASNet also achieves 74% top-1 accuracy, which is 3.1% better than equivalently-sized, state-of-the-art models for mobile platforms. Finally, the learned features by NASNet used with the Faster-RCNN framework surpass state-of-the-art by 4.0% achieving 43.1% mAP on the COCO dataset.

This paper studies sequence modeling for prediction tasks with long range dependencies. We propose a new formulation for state space models (SSMs) based on learning linear dynamical systems with the spectral filtering algorithm (Hazan et al. (2017)). This gives rise to a novel sequence prediction architecture we call a spectral state space model. Spectral state space models have two primary advantages. First, they have provable robustness properties as their performance depends on neither the spectrum of the underlying dynamics nor the dimensionality of the problem. Second, these models are constructed with fixed convolutional filters that do not require learning while still outperforming SSMs in both theory and practice. The resulting models are evaluated on synthetic dynamical systems and long-range prediction tasks of various modalities. These evaluations support the theoretical benefits of spectral filtering for tasks requiring very long range memory.

Bessel functions are critical in scientific computing for applications such as machine learning, protein structure modeling, and robotics. However, currently, available routines lack precision or fail for certain input ranges, such as when the order v is large, and GPU-specific implementations are limited. We address the precision limitations of current numerical implementations while dramatically improving the runtime. We propose two novel algorithms for computing the logarithm of modified Bessel functions of the first and second kinds by computing intermediate values on a logarithmic scale. Our algorithms are robust and never have issues with underflows or overflows while having relative errors on the order of machine precision, even for inputs where existing libraries fail. In C++/CUDA, our algorithms have median and maximum speedups of 45x and 6150x for GPU and 17x and 3403x for CPU, respectively, over the ranges of inputs and third-party libraries tested. Compared to SciPy, the algorithms have median and maximum speedups of 77x and 300x for GPU and 35x and 98x for CPU, respectively, over the tested inputs. The ability to robustly compute a solution and the low relative errors allow us to fit von Mises-Fisher, vMF, distributions to high-dimensional neural network features. This is, e.g., relevant for uncertainty quantification in metric learning. We obtain image feature data by processing CIFAR10 training images with the convolutional layers of a pre-trained ResNet50. We successfully fit vMF distributions to 2048-, 8192-, and 32768-dimensional image feature data using our algorithms. Our approach provides fast and accurate results while existing implementations in SciPy and mpmath fail to fit successfully. Our approach is readily implementable on GPUs, and we provide a fast open-source implementation alongside this paper.

In generative models, two paradigms have gained attraction in various applications: next-set prediction-based Masked Generative Models and next-noise prediction-based Non-Autoregressive Models, e.g., Diffusion Models. In this work, we propose using discrete-state models to connect them and explore their scalability in the vision domain. First, we conduct a step-by-step analysis in a unified design space across two types of models including timestep-independence, noise schedule, temperature, guidance strength, etc in a scalable manner. Second, we re-cast typical discriminative tasks, e.g., image segmentation, as an unmasking process from [MASK]tokens on a discrete-state model. This enables us to perform various sampling processes, including flexible conditional sampling by only training once to model the joint distribution. All aforementioned explorations lead to our framework named Discrete Interpolants, which enables us to achieve state-of-the-art or competitive performance compared to previous discrete-state based methods in various benchmarks, like ImageNet256, MS COCO, and video dataset FaceForensics. In summary, by leveraging [MASK] in discrete-state models, we can bridge Masked Generative and Non-autoregressive Diffusion models, as well as generative and discriminative tasks.

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

Given the importance of remote sensing, surprisingly little attention has been paid to it by the representation learning community. To address it and to establish baselines and a common evaluation protocol in this domain, we provide simplified access to 5 diverse remote sensing datasets in a standardized form. Specifically, we investigate in-domain representation learning to develop generic remote sensing representations and explore which characteristics are important for a dataset to be a good source for remote sensing representation learning. The established baselines achieve state-of-the-art performance on these datasets.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

Current Deep Network (DN) visualization and interpretability methods rely heavily on data space visualizations such as scoring which dimensions of the data are responsible for their associated prediction or generating new data features or samples that best match a given DN unit or representation. In this paper, we go one step further by developing the first provably exact method for computing the geometry of a DN's mapping - including its decision boundary - over a specified region of the data space. By leveraging the theory of Continuous Piece-Wise Linear (CPWL) spline DNs, SplineCam exactly computes a DNs geometry without resorting to approximations such as sampling or architecture simplification. SplineCam applies to any DN architecture based on CPWL nonlinearities, including (leaky-)ReLU, absolute value, maxout, and max-pooling and can also be applied to regression DNs such as implicit neural representations. Beyond decision boundary visualization and characterization, SplineCam enables one to compare architectures, measure generalizability and sample from the decision boundary on or off the manifold. Project Website: bit.ly/splinecam.

This work introduces composed image retrieval to remote sensing. It allows to query a large image archive by image examples alternated by a textual description, enriching the descriptive power over unimodal queries, either visual or textual. Various attributes can be modified by the textual part, such as shape, color, or context. A novel method fusing image-to-image and text-to-image similarity is introduced. We demonstrate that a vision-language model possesses sufficient descriptive power and no further learning step or training data are necessary. We present a new evaluation benchmark focused on color, context, density, existence, quantity, and shape modifications. Our work not only sets the state-of-the-art for this task, but also serves as a foundational step in addressing a gap in the field of remote sensing image retrieval. Code at: https://github.com/billpsomas/rscir

Image-based sequence recognition has been a long-standing research topic in computer vision. In this paper, we investigate the problem of scene text recognition, which is among the most important and challenging tasks in image-based sequence recognition. A novel neural network architecture, which integrates feature extraction, sequence modeling and transcription into a unified framework, is proposed. Compared with previous systems for scene text recognition, the proposed architecture possesses four distinctive properties: (1) It is end-to-end trainable, in contrast to most of the existing algorithms whose components are separately trained and tuned. (2) It naturally handles sequences in arbitrary lengths, involving no character segmentation or horizontal scale normalization. (3) It is not confined to any predefined lexicon and achieves remarkable performances in both lexicon-free and lexicon-based scene text recognition tasks. (4) It generates an effective yet much smaller model, which is more practical for real-world application scenarios. The experiments on standard benchmarks, including the IIIT-5K, Street View Text and ICDAR datasets, demonstrate the superiority of the proposed algorithm over the prior arts. Moreover, the proposed algorithm performs well in the task of image-based music score recognition, which evidently verifies the generality of it.

Neural Architecture Search (NAS) algorithms automate the task of finding optimal deep learning architectures given an initial search space of possible operations. Developing these search spaces is usually a manual affair with pre-optimized search spaces being more efficient, rather than searching from scratch. In this paper we present a new framework called Neural Architecture Type System (NeuralArTS) that categorizes the infinite set of network operations in a structured type system. We further demonstrate how NeuralArTS can be applied to convolutional layers and propose several future directions.