arXiv subjects

Haggai Maron

Publications and source records attributed to Haggai Maron.

At least 55 records · Page 3Linked to original sources

arXiv2024

Improved Generalization of Weight Space Networks via Augmentations

Learning in deep weight spaces (DWS), where neural networks process the weights of other neural networks, is an emerging research direction, with applications to 2D and 3D neural fields (INRs, NeRFs), as well as making inferences about other types of neural networks. Unfortunately, weight space models tend to suffer from substantial overfitting. We empirically analyze the reasons for this overfitting and find that a key reason is the lack of diversity in DWS datasets. While a given object can be represented by many different weight configurations, typical INR training sets fail to capture variability across INRs that represent the same object. To address this, we explore strategies for data augmentation in weight spaces and propose a MixUp method adapted for weight spaces. We demonstrate the effectiveness of these methods in two setups. In classification, they improve performance similarly to having up to 10 times more data. In self-supervised contrastive learning, they yield substantial 5-10% gains in downstream classification.

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arXiv2024

GRANOLA: Adaptive Normalization for Graph Neural Networks

In recent years, significant efforts have been made to refine the design of Graph Neural Network (GNN) layers, aiming to overcome diverse challenges, such as limited expressive power and oversmoothing. Despite their widespread adoption, the incorporation of off-the-shelf normalization layers like BatchNorm or InstanceNorm within a GNN architecture may not effectively capture the unique characteristics of graph-structured data, potentially reducing the expressive power of the overall architecture. Moreover, existing graph-specific normalization layers often struggle to offer substantial and consistent benefits. In this paper, we propose GRANOLA, a novel graph-adaptive normalization layer. Unlike existing normalization layers, GRANOLA normalizes node features by adapting to the specific characteristics of the graph, particularly by generating expressive representations of its neighborhood structure, obtained by leveraging the propagation of Random Node Features (RNF) in the graph. We present theoretical results that support our design choices. Our extensive empirical evaluation of various graph benchmarks underscores the superior performance of GRANOLA over existing normalization techniques. Furthermore, GRANOLA emerges as the top-performing method among all baselines within the same time complexity of Message Passing Neural Networks (MPNNs).

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arXiv2024

The Empirical Impact of Neural Parameter Symmetries, or Lack Thereof

Many algorithms and observed phenomena in deep learning appear to be affected by parameter symmetries -- transformations of neural network parameters that do not change the underlying neural network function. These include linear mode connectivity, model merging, Bayesian neural network inference, metanetworks, and several other characteristics of optimization or loss-landscapes. However, theoretical analysis of the relationship between parameter space symmetries and these phenomena is difficult. In this work, we empirically investigate the impact of neural parameter symmetries by introducing new neural network architectures that have reduced parameter space symmetries. We develop two methods, with some provable guarantees, of modifying standard neural networks to reduce parameter space symmetries. With these new methods, we conduct a comprehensive experimental study consisting of multiple tasks aimed at assessing the effect of removing parameter symmetries. Our experiments reveal several interesting observations on the empirical impact of parameter symmetries; for instance, we observe linear mode connectivity between our networks without alignment of weight spaces, and we find that our networks allow for faster and more effective Bayesian neural network training. Our code is available at https://github.com/cptq/asymmetric-networks

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arXiv2024

Learning on LoRAs: GL-Equivariant Processing of Low-Rank Weight Spaces for Large Finetuned Models

Low-rank adaptations (LoRAs) have revolutionized the finetuning of large foundation models, enabling efficient adaptation even with limited computational resources. The resulting proliferation of LoRAs presents exciting opportunities for applying machine learning techniques that take these low-rank weights themselves as inputs. In this paper, we investigate the potential of Learning on LoRAs (LoL), a paradigm where LoRA weights serve as input to machine learning models. For instance, an LoL model that takes in LoRA weights as inputs could predict the performance of the finetuned model on downstream tasks, detect potentially harmful finetunes, or even generate novel model edits without traditional training methods. We first identify the inherent parameter symmetries of low rank decompositions of weights, which differ significantly from the parameter symmetries of standard neural networks. To efficiently process LoRA weights, we develop several symmetry-aware invariant or equivariant LoL models, using tools such as canonicalization, invariant featurization, and equivariant layers. We finetune thousands of text-to-image diffusion models and language models to collect datasets of LoRAs. In numerical experiments on these datasets, we show that our LoL architectures are capable of processing low rank weight decompositions to predict CLIP score, finetuning data attributes, finetuning data membership, and accuracy on downstream tasks.

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arXiv2024

Fast Encoder-Based 3D from Casual Videos via Point Track Processing

This paper addresses the long-standing challenge of reconstructing 3D structures from videos with dynamic content. Current approaches to this problem were not designed to operate on casual videos recorded by standard cameras or require a long optimization time. Aiming to significantly improve the efficiency of previous approaches, we present TracksTo4D, a learning-based approach that enables inferring 3D structure and camera positions from dynamic content originating from casual videos using a single efficient feed-forward pass. To achieve this, we propose operating directly over 2D point tracks as input and designing an architecture tailored for processing 2D point tracks. Our proposed architecture is designed with two key principles in mind: (1) it takes into account the inherent symmetries present in the input point tracks data, and (2) it assumes that the movement patterns can be effectively represented using a low-rank approximation. TracksTo4D is trained in an unsupervised way on a dataset of casual videos utilizing only the 2D point tracks extracted from the videos, without any 3D supervision. Our experiments show that TracksTo4D can reconstruct a temporal point cloud and camera positions of the underlying video with accuracy comparable to state-of-the-art methods, while drastically reducing runtime by up to 95\%. We further show that TracksTo4D generalizes well to unseen videos of unseen semantic categories at inference time.

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arXiv2024

Future Directions in the Theory of Graph Machine Learning

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite their practical success, our theoretical understanding of the properties of GNNs remains highly incomplete. Recent theoretical advancements primarily focus on elucidating the coarse-grained expressive power of GNNs, predominantly employing combinatorial techniques. However, these studies do not perfectly align with practice, particularly in understanding the generalization behavior of GNNs when trained with stochastic first-order optimization techniques. In this position paper, we argue that the graph machine learning community needs to shift its attention to developing a balanced theory of graph machine learning, focusing on a more thorough understanding of the interplay of expressive power, generalization, and optimization.

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arXiv2024

On the Expressive Power of Spectral Invariant Graph Neural Networks

Incorporating spectral information to enhance Graph Neural Networks (GNNs) has shown promising results but raises a fundamental challenge due to the inherent ambiguity of eigenvectors. Various architectures have been proposed to address this ambiguity, referred to as spectral invariant architectures. Notable examples include GNNs and Graph Transformers that use spectral distances, spectral projection matrices, or other invariant spectral features. However, the potential expressive power of these spectral invariant architectures remains largely unclear. The goal of this work is to gain a deep theoretical understanding of the expressive power obtainable when using spectral features. We first introduce a unified message-passing framework for designing spectral invariant GNNs, called Eigenspace Projection GNN (EPNN). A comprehensive analysis shows that EPNN essentially unifies all prior spectral invariant architectures, in that they are either strictly less expressive or equivalent to EPNN. A fine-grained expressiveness hierarchy among different architectures is also established. On the other hand, we prove that EPNN itself is bounded by a recently proposed class of Subgraph GNNs, implying that all these spectral invariant architectures are strictly less expressive than 3-WL. Finally, we discuss whether using spectral features can gain additional expressiveness when combined with more expressive GNNs.

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arXiv2024

Subgraphormer: Unifying Subgraph GNNs and Graph Transformers via Graph Products

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer, which combines the enhanced expressive power, message-passing mechanisms, and aggregation schemes from Subgraph GNNs with attention and positional encodings, arguably the most important components in Graph Transformers. Our method is based on an intriguing new connection we reveal between Subgraph GNNs and product graphs, suggesting that Subgraph GNNs can be formulated as Message Passing Neural Networks (MPNNs) operating on a product of the graph with itself. We use this formulation to design our architecture: first, we devise an attention mechanism based on the connectivity of the product graph. Following this, we propose a novel and efficient positional encoding scheme for Subgraph GNNs, which we derive as a positional encoding for the product graph. Our experimental results demonstrate significant performance improvements over both Subgraph GNNs and Graph Transformers on a wide range of datasets.

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arXiv2024

Efficient Subgraph GNNs by Learning Effective Selection Policies

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on many subgraphs. In this paper, we consider the problem of learning to select a small subset of the large set of possible subgraphs in a data-driven fashion. We first motivate the problem by proving that there are families of WL-indistinguishable graphs for which there exist efficient subgraph selection policies: small subsets of subgraphs that can already identify all the graphs within the family. We then propose a new approach, called Policy-Learn, that learns how to select subgraphs in an iterative manner. We prove that, unlike popular random policies and prior work addressing the same problem, our architecture is able to learn the efficient policies mentioned above. Our experimental results demonstrate that Policy-Learn outperforms existing baselines across a wide range of datasets.

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arXiv2023

Graph Metanetworks for Processing Diverse Neural Architectures

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

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arXiv2023

Expressive Sign Equivariant Networks for Spectral Geometric Learning

Recent work has shown the utility of developing machine learning models that respect the structure and symmetries of eigenvectors. These works promote sign invariance, since for any eigenvector v the negation -v is also an eigenvector. However, we show that sign invariance is theoretically limited for tasks such as building orthogonally equivariant models and learning node positional encodings for link prediction in graphs. In this work, we demonstrate the benefits of sign equivariance for these tasks. To obtain these benefits, we develop novel sign equivariant neural network architectures. Our models are based on a new analytic characterization of sign equivariant polynomials and thus inherit provable expressiveness properties. Controlled synthetic experiments show that our networks can achieve the theoretically predicted benefits of sign equivariant models. Code is available at https://github.com/cptq/Sign-Equivariant-Nets.

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arXiv2023

Data Augmentations in Deep Weight Spaces

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.

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arXiv2023

Norm-guided latent space exploration for text-to-image generation

Text-to-image diffusion models show great potential in synthesizing a large variety of concepts in new compositions and scenarios. However, the latent space of initial seeds is still not well understood and its structure was shown to impact the generation of various concepts. Specifically, simple operations like interpolation and finding the centroid of a set of seeds perform poorly when using standard Euclidean or spherical metrics in the latent space. This paper makes the observation that, in current training procedures, diffusion models observed inputs with a narrow range of norm values. This has strong implications for methods that rely on seed manipulation for image generation, with applications to few-shot and long-tail learning tasks. To address this issue, we propose a novel method for interpolating between two seeds and demonstrate that it defines a new non-Euclidean metric that takes into account a norm-based prior on seeds. We describe a simple yet efficient algorithm for approximating this interpolation procedure and use it to further define centroids in the latent seed space. We show that our new interpolation and centroid techniques significantly enhance the generation of rare concept images. This further leads to state-of-the-art performance on few-shot and long-tail benchmarks, improving prior approaches in terms of generation speed, image quality, and semantic content.

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arXiv2023

Hierarchical Graph Neural Network with Cross-Attention for Cross-Device User Matching

Cross-device user matching is a critical problem in numerous domains, including advertising, recommender systems, and cybersecurity. It involves identifying and linking different devices belonging to the same person, utilizing sequence logs. Previous data mining techniques have struggled to address the long-range dependencies and higher-order connections between the logs. Recently, researchers have modeled this problem as a graph problem and proposed a two-tier graph contextual embedding (TGCE) neural network architecture, which outperforms previous methods. In this paper, we propose a novel hierarchical graph neural network architecture (HGNN), which has a more computationally efficient second level design than TGCE. Furthermore, we introduce a cross-attention (Cross-Att) mechanism in our model, which improves performance by 5% compared to the state-of-the-art TGCE method.

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arXiv2023

Graph Positional Encoding via Random Feature Propagation

Two main families of node feature augmentation schemes have been explored for enhancing GNNs: random features and spectral positional encoding. Surprisingly, however, there is still no clear understanding of the relation between these two augmentation schemes. Here we propose a novel family of positional encoding schemes which draws a link between the above two approaches and improves over both. The new approach, named Random Feature Propagation (RFP), is inspired by the power iteration method and its generalizations. It concatenates several intermediate steps of an iterative algorithm for computing the dominant eigenvectors of a propagation matrix, starting from random node features. Notably, these propagation steps are based on graph-dependent propagation operators that can be either predefined or learned. We explore the theoretical and empirical benefits of RFP. First, we provide theoretical justifications for using random features, for incorporating early propagation steps, and for using multiple random initializations. Then, we empirically demonstrate that RFP significantly outperforms both spectral PE and random features in multiple node classification and graph classification benchmarks.

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arXiv2023

Weisfeiler and Leman go Machine Learning: The Story so far

In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data. Here, we give a comprehensive overview of the algorithm's use in a machine-learning setting, focusing on the supervised regime. We discuss the theoretical background, show how to use it for supervised graph and node representation learning, discuss recent extensions, and outline the algorithm's connection to (permutation-)equivariant neural architectures. Moreover, we give an overview of current applications and future directions to stimulate further research.

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arXiv2023

Equivariant Polynomials for Graph Neural Networks

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

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arXiv2023

Equivariant Architectures for Learning in Deep Weight Spaces

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

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