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SubscribeExponential speedups for quantum walks in random hierarchical graphs
There are few known exponential speedups for quantum algorithms and these tend to fall into even fewer families. One speedup that has mostly resisted generalization is the use of quantum walks to traverse the welded-tree graph, due to Childs, Cleve, Deotto, Farhi, Gutmann, and Spielman. We show how to generalize this to a large class of hierarchical graphs in which the vertices are grouped into "supervertices" which are arranged according to a d-dimensional lattice. Supervertices can have different sizes, and edges between supervertices correspond to random connections between their constituent vertices. The hitting times of quantum walks on these graphs are related to the localization properties of zero modes in certain disordered tight binding Hamiltonians. The speedups range from superpolynomial to exponential, depending on the underlying dimension and the random graph model. We also provide concrete realizations of these hierarchical graphs, and introduce a general method for constructing graphs with efficient quantum traversal times using graph sparsification.
Exploring Sparsity in Graph Transformers
Graph Transformers (GTs) have achieved impressive results on various graph-related tasks. However, the huge computational cost of GTs hinders their deployment and application, especially in resource-constrained environments. Therefore, in this paper, we explore the feasibility of sparsifying GTs, a significant yet under-explored topic. We first discuss the redundancy of GTs based on the characteristics of existing GT models, and then propose a comprehensive Graph Transformer SParsification (GTSP) framework that helps to reduce the computational complexity of GTs from four dimensions: the input graph data, attention heads, model layers, and model weights. Specifically, GTSP designs differentiable masks for each individual compressible component, enabling effective end-to-end pruning. We examine our GTSP through extensive experiments on prominent GTs, including GraphTrans, Graphormer, and GraphGPS. The experimental results substantiate that GTSP effectively cuts computational costs, accompanied by only marginal decreases in accuracy or, in some cases, even improvements. For instance, GTSP yields a reduction of 30\% in Floating Point Operations while contributing to a 1.8\% increase in Area Under the Curve accuracy on OGBG-HIV dataset. Furthermore, we provide several insights on the characteristics of attention heads and the behavior of attention mechanisms, all of which have immense potential to inspire future research endeavors in this domain.
Graph-Mamba: Towards Long-Range Graph Sequence Modeling with Selective State Spaces
Attention mechanisms have been widely used to capture long-range dependencies among nodes in Graph Transformers. Bottlenecked by the quadratic computational cost, attention mechanisms fail to scale in large graphs. Recent improvements in computational efficiency are mainly achieved by attention sparsification with random or heuristic-based graph subsampling, which falls short in data-dependent context reasoning. State space models (SSMs), such as Mamba, have gained prominence for their effectiveness and efficiency in modeling long-range dependencies in sequential data. However, adapting SSMs to non-sequential graph data presents a notable challenge. In this work, we introduce Graph-Mamba, the first attempt to enhance long-range context modeling in graph networks by integrating a Mamba block with the input-dependent node selection mechanism. Specifically, we formulate graph-centric node prioritization and permutation strategies to enhance context-aware reasoning, leading to a substantial improvement in predictive performance. Extensive experiments on ten benchmark datasets demonstrate that Graph-Mamba outperforms state-of-the-art methods in long-range graph prediction tasks, with a fraction of the computational cost in both FLOPs and GPU memory consumption. The code and models are publicly available at https://github.com/bowang-lab/Graph-Mamba.
Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling
Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this work, we propose EDGE, a new diffusion-based generative graph model that addresses generative tasks with large graphs. To improve computation efficiency, we encourage graph sparsity by using a discrete diffusion process that randomly removes edges at each time step and finally obtains an empty graph. EDGE only focuses on a portion of nodes in the graph at each denoising step. It makes much fewer edge predictions than previous diffusion-based models. Moreover, EDGE admits explicitly modeling the node degrees of the graphs, further improving the model performance. The empirical study shows that EDGE is much more efficient than competing methods and can generate large graphs with thousands of nodes. It also outperforms baseline models in generation quality: graphs generated by our approach have more similar graph statistics to those of the training graphs.
TEDDY: Trimming Edges with Degree-based Discrimination strategY
Since the pioneering work on the lottery ticket hypothesis for graph neural networks (GNNs) was proposed in Chen et al. (2021), the study on finding graph lottery tickets (GLT) has become one of the pivotal focus in the GNN community, inspiring researchers to discover sparser GLT while achieving comparable performance to original dense networks. In parallel, the graph structure has gained substantial attention as a crucial factor in GNN training dynamics, also elucidated by several recent studies. Despite this, contemporary studies on GLT, in general, have not fully exploited inherent pathways in the graph structure and identified tickets in an iterative manner, which is time-consuming and inefficient. To address these limitations, we introduce TEDDY, a one-shot edge sparsification framework that leverages structural information by incorporating edge-degree information. Following edge sparsification, we encourage the parameter sparsity during training via simple projected gradient descent on the ell_0 ball. Given the target sparsity levels for both the graph structure and the model parameters, our TEDDY facilitates efficient and rapid realization of GLT within a single training. Remarkably, our experimental results demonstrate that TEDDY significantly surpasses conventional iterative approaches in generalization, even when conducting one-shot sparsification that solely utilizes graph structures, without taking feature information into account.
Sparsified Model Zoo Twins: Investigating Populations of Sparsified Neural Network Models
With growing size of Neural Networks (NNs), model sparsification to reduce the computational cost and memory demand for model inference has become of vital interest for both research and production. While many sparsification methods have been proposed and successfully applied on individual models, to the best of our knowledge their behavior and robustness has not yet been studied on large populations of models. With this paper, we address that gap by applying two popular sparsification methods on populations of models (so called model zoos) to create sparsified versions of the original zoos. We investigate the performance of these two methods for each zoo, compare sparsification layer-wise, and analyse agreement between original and sparsified populations. We find both methods to be very robust with magnitude pruning able outperform variational dropout with the exception of high sparsification ratios above 80%. Further, we find sparsified models agree to a high degree with their original non-sparsified counterpart, and that the performance of original and sparsified model is highly correlated. Finally, all models of the model zoos and their sparsified model twins are publicly available: modelzoos.cc.
SliceGPT: Compress Large Language Models by Deleting Rows and Columns
Large language models have become the cornerstone of natural language processing, but their use comes with substantial costs in terms of compute and memory resources. Sparsification provides a solution to alleviate these resource constraints, and recent works have shown that trained models can be sparsified post-hoc. Existing sparsification techniques face challenges as they need additional data structures and offer constrained speedup with current hardware. In this paper we present SliceGPT, a new post-training sparsification scheme which replaces each weight matrix with a smaller (dense) matrix, reducing the embedding dimension of the network. Through extensive experimentation, we show that SliceGPT can remove up to 25% of the model parameters (including embeddings) for LLAMA2-70B, OPT 66B and Phi-2 models while maintaining 99%, 99% and 90% zero-shot task performance of the dense model respectively. Our sliced models run on fewer GPUs and run faster without any additional code optimization: on 24GB consumer GPUs we reduce the total compute for inference on LLAMA2-70B to 64% of that of the dense model; on 40GB A100 GPUs we reduce it to 66%. We offer a new insight, computational invariance in transformer networks, which enables SliceGPT and we hope it will inspire and enable future avenues to reduce memory and computation demands for pre-trained models. Code is available at: https://github.com/microsoft/TransformerCompression
S4: a High-sparsity, High-performance AI Accelerator
Exploiting sparsity underlying neural networks has become one of the most potential methodologies to reduce the memory footprint, I/O cost, and computation workloads during inference. And the degree of sparsity one can exploit has become higher as larger model sizes have been considered along with the trend of pre-training giant models. On the other hand, compared with quantization that has been a widely supported option, acceleration through high-degree sparsity is not supported in most computing platforms. In this work, we introduce the first commercial hardware platform supporting high-degree sparsity acceleration up to 32 times -- S4. Combined with state-of-the-art sparse pruning techniques, we demonstrate several-times practical inference speedup on S4 over mainstream inference platforms such as Nvidia T4. We also show that in practice a sparse model of larger size can achieve both higher accuracy and higher throughput on S4 than a dense model of smaller size.
Pixelated Butterfly: Simple and Efficient Sparse training for Neural Network Models
Overparameterized neural networks generalize well but are expensive to train. Ideally, one would like to reduce their computational cost while retaining their generalization benefits. Sparse model training is a simple and promising approach to achieve this, but there remain challenges as existing methods struggle with accuracy loss, slow training runtime, or difficulty in sparsifying all model components. The core problem is that searching for a sparsity mask over a discrete set of sparse matrices is difficult and expensive. To address this, our main insight is to optimize over a continuous superset of sparse matrices with a fixed structure known as products of butterfly matrices. As butterfly matrices are not hardware efficient, we propose simple variants of butterfly (block and flat) to take advantage of modern hardware. Our method (Pixelated Butterfly) uses a simple fixed sparsity pattern based on flat block butterfly and low-rank matrices to sparsify most network layers (e.g., attention, MLP). We empirically validate that Pixelated Butterfly is 3x faster than butterfly and speeds up training to achieve favorable accuracy--efficiency tradeoffs. On the ImageNet classification and WikiText-103 language modeling tasks, our sparse models train up to 2.5x faster than the dense MLP-Mixer, Vision Transformer, and GPT-2 medium with no drop in accuracy.
Experiments on Properties of Hidden Structures of Sparse Neural Networks
Sparsity in the structure of Neural Networks can lead to less energy consumption, less memory usage, faster computation times on convenient hardware, and automated machine learning. If sparsity gives rise to certain kinds of structure, it can explain automatically obtained features during learning. We provide insights into experiments in which we show how sparsity can be achieved through prior initialization, pruning, and during learning, and answer questions on the relationship between the structure of Neural Networks and their performance. This includes the first work of inducing priors from network theory into Recurrent Neural Networks and an architectural performance prediction during a Neural Architecture Search. Within our experiments, we show how magnitude class blinded pruning achieves 97.5% on MNIST with 80% compression and re-training, which is 0.5 points more than without compression, that magnitude class uniform pruning is significantly inferior to it and how a genetic search enhanced with performance prediction achieves 82.4% on CIFAR10. Further, performance prediction for Recurrent Networks learning the Reber grammar shows an R^2 of up to 0.81 given only structural information.
A Gromov--Wasserstein Geometric View of Spectrum-Preserving Graph Coarsening
Graph coarsening is a technique for solving large-scale graph problems by working on a smaller version of the original graph, and possibly interpolating the results back to the original graph. It has a long history in scientific computing and has recently gained popularity in machine learning, particularly in methods that preserve the graph spectrum. This work studies graph coarsening from a different perspective, developing a theory for preserving graph distances and proposing a method to achieve this. The geometric approach is useful when working with a collection of graphs, such as in graph classification and regression. In this study, we consider a graph as an element on a metric space equipped with the Gromov--Wasserstein (GW) distance, and bound the difference between the distance of two graphs and their coarsened versions. Minimizing this difference can be done using the popular weighted kernel K-means method, which improves existing spectrum-preserving methods with the proper choice of the kernel. The study includes a set of experiments to support the theory and method, including approximating the GW distance, preserving the graph spectrum, classifying graphs using spectral information, and performing regression using graph convolutional networks. Code is available at https://github.com/ychen-stat-ml/GW-Graph-Coarsening .
STen: Productive and Efficient Sparsity in PyTorch
As deep learning models grow, sparsity is becoming an increasingly critical component of deep neural networks, enabling improved performance and reduced storage. However, existing frameworks offer poor support for sparsity. Specialized sparsity engines focus exclusively on sparse inference, while general frameworks primarily focus on sparse tensors in classical formats and neglect the broader sparsification pipeline necessary for using sparse models, especially during training. Further, existing frameworks are not easily extensible: adding a new sparse tensor format or operator is challenging and time-consuming. To address this, we propose STen, a sparsity programming model and interface for PyTorch, which incorporates sparsity layouts, operators, and sparsifiers, in an efficient, customizable, and extensible framework that supports virtually all sparsification methods. We demonstrate this by developing a high-performance grouped n:m sparsity layout for CPU inference at moderate sparsity. STen brings high performance and ease of use to the ML community, making sparsity easily accessible.
SSumM: Sparse Summarization of Massive Graphs
Given a graph G and the desired size k in bits, how can we summarize G within k bits, while minimizing the information loss? Large-scale graphs have become omnipresent, posing considerable computational challenges. Analyzing such large graphs can be fast and easy if they are compressed sufficiently to fit in main memory or even cache. Graph summarization, which yields a coarse-grained summary graph with merged nodes, stands out with several advantages among graph compression techniques. Thus, a number of algorithms have been developed for obtaining a concise summary graph with little information loss or equivalently small reconstruction error. However, the existing methods focus solely on reducing the number of nodes, and they often yield dense summary graphs, failing to achieve better compression rates. Moreover, due to their limited scalability, they can be applied only to moderate-size graphs. In this work, we propose SSumM, a scalable and effective graph-summarization algorithm that yields a sparse summary graph. SSumM not only merges nodes together but also sparsifies the summary graph, and the two strategies are carefully balanced based on the minimum description length principle. Compared with state-of-the-art competitors, SSumM is (a) Concise: yields up to 11.2X smaller summary graphs with similar reconstruction error, (b) Accurate: achieves up to 4.2X smaller reconstruction error with similarly concise outputs, and (c) Scalable: summarizes 26X larger graphs while exhibiting linear scalability. We validate these advantages through extensive experiments on 10 real-world graphs.
Progressive Gradient Flow for Robust N:M Sparsity Training in Transformers
N:M Structured sparsity has garnered significant interest as a result of relatively modest overhead and improved efficiency. Additionally, this form of sparsity holds considerable appeal for reducing the memory footprint owing to their modest representation overhead. There have been efforts to develop training recipes for N:M structured sparsity, they primarily focus on low-sparsity regions (sim50\%). Nonetheless, performance of models trained using these approaches tends to decline when confronted with high-sparsity regions (>80\%). In this work, we study the effectiveness of existing sparse training recipes at high-sparsity regions and argue that these methods fail to sustain the model quality on par with low-sparsity regions. We demonstrate that the significant factor contributing to this disparity is the presence of elevated levels of induced noise in the gradient magnitudes. To mitigate this undesirable effect, we employ decay mechanisms to progressively restrict the flow of gradients towards pruned elements. Our approach improves the model quality by up to 2% and 5% in vision and language models at high sparsity regime, respectively. We also evaluate the trade-off between model accuracy and training compute cost in terms of FLOPs. At iso-training FLOPs, our method yields better performance compared to conventional sparse training recipes, exhibiting an accuracy improvement of up to 2%. The source code is available at https://github.com/abhibambhaniya/progressive_gradient_flow_nm_sparsity.
SPAR3D: Stable Point-Aware Reconstruction of 3D Objects from Single Images
We study the problem of single-image 3D object reconstruction. Recent works have diverged into two directions: regression-based modeling and generative modeling. Regression methods efficiently infer visible surfaces, but struggle with occluded regions. Generative methods handle uncertain regions better by modeling distributions, but are computationally expensive and the generation is often misaligned with visible surfaces. In this paper, we present SPAR3D, a novel two-stage approach aiming to take the best of both directions. The first stage of SPAR3D generates sparse 3D point clouds using a lightweight point diffusion model, which has a fast sampling speed. The second stage uses both the sampled point cloud and the input image to create highly detailed meshes. Our two-stage design enables probabilistic modeling of the ill-posed single-image 3D task while maintaining high computational efficiency and great output fidelity. Using point clouds as an intermediate representation further allows for interactive user edits. Evaluated on diverse datasets, SPAR3D demonstrates superior performance over previous state-of-the-art methods, at an inference speed of 0.7 seconds. Project page with code and model: https://spar3d.github.io
Accelerating Deep Neural Networks via Semi-Structured Activation Sparsity
The demand for efficient processing of deep neural networks (DNNs) on embedded devices is a significant challenge limiting their deployment. Exploiting sparsity in the network's feature maps is one of the ways to reduce its inference latency. It is known that unstructured sparsity results in lower accuracy degradation with respect to structured sparsity but the former needs extensive inference engine changes to get latency benefits. To tackle this challenge, we propose a solution to induce semi-structured activation sparsity exploitable through minor runtime modifications. To attain high speedup levels at inference time, we design a sparse training procedure with awareness of the final position of the activations while computing the General Matrix Multiplication (GEMM). We extensively evaluate the proposed solution across various models for image classification and object detection tasks. Remarkably, our approach yields a speed improvement of 1.25 times with a minimal accuracy drop of 1.1% for the ResNet18 model on the ImageNet dataset. Furthermore, when combined with a state-of-the-art structured pruning method, the resulting models provide a good latency-accuracy trade-off, outperforming models that solely employ structured pruning techniques.
A Simple and Scalable Representation for Graph Generation
Recently, there has been a surge of interest in employing neural networks for graph generation, a fundamental statistical learning problem with critical applications like molecule design and community analysis. However, most approaches encounter significant limitations when generating large-scale graphs. This is due to their requirement to output the full adjacency matrices whose size grows quadratically with the number of nodes. In response to this challenge, we introduce a new, simple, and scalable graph representation named gap encoded edge list (GEEL) that has a small representation size that aligns with the number of edges. In addition, GEEL significantly reduces the vocabulary size by incorporating the gap encoding and bandwidth restriction schemes. GEEL can be autoregressively generated with the incorporation of node positional encoding, and we further extend GEEL to deal with attributed graphs by designing a new grammar. Our findings reveal that the adoption of this compact representation not only enhances scalability but also bolsters performance by simplifying the graph generation process. We conduct a comprehensive evaluation across ten non-attributed and two molecular graph generation tasks, demonstrating the effectiveness of GEEL.
Towards Sparse Hierarchical Graph Classifiers
Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly suitable for node classification and link prediction, their application to graph classification (predicting a single label for the entire graph) remains mostly rudimentary, typically using a single global pooling step to aggregate node features or a hand-designed, fixed heuristic for hierarchical coarsening of the graph structure. An important step towards ameliorating this is differentiable graph coarsening---the ability to reduce the size of the graph in an adaptive, data-dependent manner within a graph neural network pipeline, analogous to image downsampling within CNNs. However, the previous prominent approach to pooling has quadratic memory requirements during training and is therefore not scalable to large graphs. Here we combine several recent advances in graph neural network design to demonstrate that competitive hierarchical graph classification results are possible without sacrificing sparsity. Our results are verified on several established graph classification benchmarks, and highlight an important direction for future research in graph-based neural networks.
Locality-Aware Graph-Rewiring in GNNs
Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.
DASS: Differentiable Architecture Search for Sparse neural networks
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.
Plant 'n' Seek: Can You Find the Winning Ticket?
The lottery ticket hypothesis has sparked the rapid development of pruning algorithms that aim to reduce the computational costs associated with deep learning during training and model deployment. Currently, such algorithms are primarily evaluated on imaging data, for which we lack ground truth information and thus the understanding of how sparse lottery tickets could be. To fill this gap, we develop a framework that allows us to plant and hide winning tickets with desirable properties in randomly initialized neural networks. To analyze the ability of state-of-the-art pruning to identify tickets of extreme sparsity, we design and hide such tickets solving four challenging tasks. In extensive experiments, we observe similar trends as in imaging studies, indicating that our framework can provide transferable insights into realistic problems. Additionally, we can now see beyond such relative trends and highlight limitations of current pruning methods. Based on our results, we conclude that the current limitations in ticket sparsity are likely of algorithmic rather than fundamental nature. We anticipate that comparisons to planted tickets will facilitate future developments of efficient pruning algorithms.
Why Random Pruning Is All We Need to Start Sparse
Random masks define surprisingly effective sparse neural network models, as has been shown empirically. The resulting sparse networks can often compete with dense architectures and state-of-the-art lottery ticket pruning algorithms, even though they do not rely on computationally expensive prune-train iterations and can be drawn initially without significant computational overhead. We offer a theoretical explanation of how random masks can approximate arbitrary target networks if they are wider by a logarithmic factor in the inverse sparsity 1 / log(1/sparsity). This overparameterization factor is necessary at least for 3-layer random networks, which elucidates the observed degrading performance of random networks at higher sparsity. At moderate to high sparsity levels, however, our results imply that sparser networks are contained within random source networks so that any dense-to-sparse training scheme can be turned into a computationally more efficient sparse-to-sparse one by constraining the search to a fixed random mask. We demonstrate the feasibility of this approach in experiments for different pruning methods and propose particularly effective choices of initial layer-wise sparsity ratios of the random source network. As a special case, we show theoretically and experimentally that random source networks also contain strong lottery tickets.
Random Search as a Baseline for Sparse Neural Network Architecture Search
Sparse neural networks have shown similar or better generalization performance than their dense counterparts while having higher parameter efficiency. This has motivated a number of works to learn or search for high performing sparse networks. While reports of task performance or efficiency gains are impressive, standard baselines are lacking leading to poor comparability and unreliable reproducibility across methods. In this work, we propose Random Search as a baseline algorithm for finding good sparse configurations and study its performance. We apply Random Search on the node space of an overparameterized network with the goal of finding better initialized sparse sub-networks that are positioned more advantageously in the loss landscape. We record the post-training performances of the found sparse networks and at various levels of sparsity, and compare against both their fully connected parent networks and random sparse configurations at the same sparsity levels. First, we demonstrate performance at different levels of sparsity and highlight that a significant level of performance can still be preserved even when the network is highly sparse. Second, we observe that for this sparse architecture search task, initialized sparse networks found by Random Search neither perform better nor converge more efficiently than their random counterparts. Thus we conclude that Random Search may be viewed as a reasonable neutral baseline for sparsity search methods.
Neural Network Pruning as Spectrum Preserving Process
Neural networks have achieved remarkable performance in various application domains. Nevertheless, a large number of weights in pre-trained deep neural networks prohibit them from being deployed on smartphones and embedded systems. It is highly desirable to obtain lightweight versions of neural networks for inference in edge devices. Many cost-effective approaches were proposed to prune dense and convolutional layers that are common in deep neural networks and dominant in the parameter space. However, a unified theoretical foundation for the problem mostly is missing. In this paper, we identify the close connection between matrix spectrum learning and neural network training for dense and convolutional layers and argue that weight pruning is essentially a matrix sparsification process to preserve the spectrum. Based on the analysis, we also propose a matrix sparsification algorithm tailored for neural network pruning that yields better pruning result. We carefully design and conduct experiments to support our arguments. Hence we provide a consolidated viewpoint for neural network pruning and enhance the interpretability of deep neural networks by identifying and preserving the critical neural weights.
Efficient and Scalable Graph Generation through Iterative Local Expansion
In the realm of generative models for graphs, extensive research has been conducted. However, most existing methods struggle with large graphs due to the complexity of representing the entire joint distribution across all node pairs and capturing both global and local graph structures simultaneously. To overcome these issues, we introduce a method that generates a graph by progressively expanding a single node to a target graph. In each step, nodes and edges are added in a localized manner through denoising diffusion, building first the global structure, and then refining the local details. The local generation avoids modeling the entire joint distribution over all node pairs, achieving substantial computational savings with subquadratic runtime relative to node count while maintaining high expressivity through multiscale generation. Our experiments show that our model achieves state-of-the-art performance on well-established benchmark datasets while successfully scaling to graphs with at least 5000 nodes. Our method is also the first to successfully extrapolate to graphs outside of the training distribution, showcasing a much better generalization capability over existing methods.
Fast as CHITA: Neural Network Pruning with Combinatorial Optimization
The sheer size of modern neural networks makes model serving a serious computational challenge. A popular class of compression techniques overcomes this challenge by pruning or sparsifying the weights of pretrained networks. While useful, these techniques often face serious tradeoffs between computational requirements and compression quality. In this work, we propose a novel optimization-based pruning framework that considers the combined effect of pruning (and updating) multiple weights subject to a sparsity constraint. Our approach, CHITA, extends the classical Optimal Brain Surgeon framework and results in significant improvements in speed, memory, and performance over existing optimization-based approaches for network pruning. CHITA's main workhorse performs combinatorial optimization updates on a memory-friendly representation of local quadratic approximation(s) of the loss function. On a standard benchmark of pretrained models and datasets, CHITA leads to significantly better sparsity-accuracy tradeoffs than competing methods. For example, for MLPNet with only 2% of the weights retained, our approach improves the accuracy by 63% relative to the state of the art. Furthermore, when used in conjunction with fine-tuning SGD steps, our method achieves significant accuracy gains over the state-of-the-art approaches.
Accurate Neural Network Pruning Requires Rethinking Sparse Optimization
Obtaining versions of deep neural networks that are both highly-accurate and highly-sparse is one of the main challenges in the area of model compression, and several high-performance pruning techniques have been investigated by the community. Yet, much less is known about the interaction between sparsity and the standard stochastic optimization techniques used for training sparse networks, and most existing work uses standard dense schedules and hyperparameters for training sparse networks. In this work, we examine the impact of high sparsity on model training using the standard computer vision and natural language processing sparsity benchmarks. We begin by showing that using standard dense training recipes for sparse training is suboptimal, and results in under-training. We provide new approaches for mitigating this issue for both sparse pre-training of vision models (e.g. ResNet50/ImageNet) and sparse fine-tuning of language models (e.g. BERT/GLUE), achieving state-of-the-art results in both settings in the high-sparsity regime, and providing detailed analyses for the difficulty of sparse training in both scenarios. Our work sets a new threshold in terms of the accuracies that can be achieved under high sparsity, and should inspire further research into improving sparse model training, to reach higher accuracies under high sparsity, but also to do so efficiently.
Robustness of Graph Neural Networks at Scale
Graph Neural Networks (GNNs) are increasingly important given their popularity and the diversity of applications. Yet, existing studies of their vulnerability to adversarial attacks rely on relatively small graphs. We address this gap and study how to attack and defend GNNs at scale. We propose two sparsity-aware first-order optimization attacks that maintain an efficient representation despite optimizing over a number of parameters which is quadratic in the number of nodes. We show that common surrogate losses are not well-suited for global attacks on GNNs. Our alternatives can double the attack strength. Moreover, to improve GNNs' reliability we design a robust aggregation function, Soft Median, resulting in an effective defense at all scales. We evaluate our attacks and defense with standard GNNs on graphs more than 100 times larger compared to previous work. We even scale one order of magnitude further by extending our techniques to a scalable GNN.
SparseGPT: Massive Language Models Can Be Accurately Pruned in One-Shot
We show for the first time that large-scale generative pretrained transformer (GPT) family models can be pruned to at least 50% sparsity in one-shot, without any retraining, at minimal loss of accuracy. This is achieved via a new pruning method called SparseGPT, specifically designed to work efficiently and accurately on massive GPT-family models. We can execute SparseGPT on the largest available open-source models, OPT-175B and BLOOM-176B, in under 4.5 hours, and can reach 60% unstructured sparsity with negligible increase in perplexity: remarkably, more than 100 billion weights from these models can be ignored at inference time. SparseGPT generalizes to semi-structured (2:4 and 4:8) patterns, and is compatible with weight quantization approaches. The code is available at: https://github.com/IST-DASLab/sparsegpt.
Improving Graph Generation by Restricting Graph Bandwidth
Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.
About Graph Degeneracy, Representation Learning and Scalability
Graphs or networks are a very convenient way to represent data with lots of interaction. Recently, Machine Learning on Graph data has gained a lot of traction. In particular, vertex classification and missing edge detection have very interesting applications, ranging from drug discovery to recommender systems. To achieve such tasks, tremendous work has been accomplished to learn embedding of nodes and edges into finite-dimension vector spaces. This task is called Graph Representation Learning. However, Graph Representation Learning techniques often display prohibitive time and memory complexities, preventing their use in real-time with business size graphs. In this paper, we address this issue by leveraging a degeneracy property of Graphs - the K-Core Decomposition. We present two techniques taking advantage of this decomposition to reduce the time and memory consumption of walk-based Graph Representation Learning algorithms. We evaluate the performances, expressed in terms of quality of embedding and computational resources, of the proposed techniques on several academic datasets. Our code is available at https://github.com/SBrandeis/kcore-embedding
The Unreasonable Effectiveness of Random Pruning: Return of the Most Naive Baseline for Sparse Training
Random pruning is arguably the most naive way to attain sparsity in neural networks, but has been deemed uncompetitive by either post-training pruning or sparse training. In this paper, we focus on sparse training and highlight a perhaps counter-intuitive finding, that random pruning at initialization can be quite powerful for the sparse training of modern neural networks. Without any delicate pruning criteria or carefully pursued sparsity structures, we empirically demonstrate that sparsely training a randomly pruned network from scratch can match the performance of its dense equivalent. There are two key factors that contribute to this revival: (i) the network sizes matter: as the original dense networks grow wider and deeper, the performance of training a randomly pruned sparse network will quickly grow to matching that of its dense equivalent, even at high sparsity ratios; (ii) appropriate layer-wise sparsity ratios can be pre-chosen for sparse training, which shows to be another important performance booster. Simple as it looks, a randomly pruned subnetwork of Wide ResNet-50 can be sparsely trained to outperforming a dense Wide ResNet-50, on ImageNet. We also observed such randomly pruned networks outperform dense counterparts in other favorable aspects, such as out-of-distribution detection, uncertainty estimation, and adversarial robustness. Overall, our results strongly suggest there is larger-than-expected room for sparse training at scale, and the benefits of sparsity might be more universal beyond carefully designed pruning. Our source code can be found at https://github.com/VITA-Group/Random_Pruning.
Pruning-aware Sparse Regularization for Network Pruning
Structural neural network pruning aims to remove the redundant channels in the deep convolutional neural networks (CNNs) by pruning the filters of less importance to the final output accuracy. To reduce the degradation of performance after pruning, many methods utilize the loss with sparse regularization to produce structured sparsity. In this paper, we analyze these sparsity-training-based methods and find that the regularization of unpruned channels is unnecessary. Moreover, it restricts the network's capacity, which leads to under-fitting. To solve this problem, we propose a novel pruning method, named MaskSparsity, with pruning-aware sparse regularization. MaskSparsity imposes the fine-grained sparse regularization on the specific filters selected by a pruning mask, rather than all the filters of the model. Before the fine-grained sparse regularization of MaskSparity, we can use many methods to get the pruning mask, such as running the global sparse regularization. MaskSparsity achieves 63.03%-FLOPs reduction on ResNet-110 by removing 60.34% of the parameters, with no top-1 accuracy loss on CIFAR-10. On ILSVRC-2012, MaskSparsity reduces more than 51.07% FLOPs on ResNet-50, with only a loss of 0.76% in the top-1 accuracy. The code is released at https://github.com/CASIA-IVA-Lab/MaskSparsity. Moreover, we have integrated the code of MaskSparity into a PyTorch pruning toolkit, EasyPruner, at https://gitee.com/casia_iva_engineer/easypruner.
Generalization Bounds for Magnitude-Based Pruning via Sparse Matrix Sketching
In this paper, we derive a novel bound on the generalization error of Magnitude-Based pruning of overparameterized neural networks. Our work builds on the bounds in Arora et al. [2018] where the error depends on one, the approximation induced by pruning, and two, the number of parameters in the pruned model, and improves upon standard norm-based generalization bounds. The pruned estimates obtained using our new Magnitude-Based compression algorithm are close to the unpruned functions with high probability, which improves the first criteria. Using Sparse Matrix Sketching, the space of the pruned matrices can be efficiently represented in the space of dense matrices of much smaller dimensions, thereby lowering the second criterion. This leads to stronger generalization bound than many state-of-the-art methods, thereby breaking new ground in the algorithm development for pruning and bounding generalization error of overparameterized models. Beyond this, we extend our results to obtain generalization bound for Iterative Pruning [Frankle and Carbin, 2018]. We empirically verify the success of this new method on ReLU-activated Feed Forward Networks on the MNIST and CIFAR10 datasets.
Dynamic Sparse Training with Structured Sparsity
Dynamic Sparse Training (DST) methods achieve state-of-the-art results in sparse neural network training, matching the generalization of dense models while enabling sparse training and inference. Although the resulting models are highly sparse and theoretically less computationally expensive, achieving speedups with unstructured sparsity on real-world hardware is challenging. In this work, we propose a sparse-to-sparse DST method, Structured RigL (SRigL), to learn a variant of fine-grained structured N:M sparsity by imposing a constant fan-in constraint. Using our empirical analysis of existing DST methods at high sparsity, we additionally employ a neuron ablation method which enables SRigL to achieve state-of-the-art sparse-to-sparse structured DST performance on a variety of Neural Network (NN) architectures. We demonstrate reduced real-world timings on CPU for online inference -- 3.6x/2x faster at 90% sparsity than equivalent dense/unstructured sparse layers, respectively. Our source code is available at https://github.com/calgaryml/condensed-sparsity
Order-Preserving GFlowNets
Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.
GQSA: Group Quantization and Sparsity for Accelerating Large Language Model Inference
Model compression has emerged as a mainstream solution to reduce memory usage and computational overhead. This paper presents Group Quantization and Sparse Acceleration (GQSA), a novel compression technique tailored for LLMs. Traditional methods typically focus exclusively on either quantization or sparsification, but relying on a single strategy often results in significant performance loss at high compression rates. In contrast, GQSA integrates quantization and sparsification in a tightly coupled manner, leveraging GPU-friendly structured group sparsity and quantization for efficient acceleration. Building upon system-algorithm co-design principles, we propose a two-stage sparse optimization strategy that ensures the performance superiority of the compressed model. On the engine side, we introduce a "task-centric" parallel strategy, which, to the best of our knowledge, is the first application in the domain of sparse computing. Compared to the traditional 2:4 sparse method, the GQSA offers a more flexible and adjustable sparsity rate, as well as a higher weight compression rate, and is efficiently compatible with weight-only quantization methods. Experimental results demonstrate that, under the GQSA W4S50% compression setting, the model's accuracy surpasses that of both 2:4 pruning and W2 quantization. Furthermore, at the inference level, GQSA outperforms W2 by 1.26times and 2:4 pruning by 2.35times in terms of speed.
Model-Based Control with Sparse Neural Dynamics
Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.
Eau De Q-Network: Adaptive Distillation of Neural Networks in Deep Reinforcement Learning
Recent works have successfully demonstrated that sparse deep reinforcement learning agents can be competitive against their dense counterparts. This opens up opportunities for reinforcement learning applications in fields where inference time and memory requirements are cost-sensitive or limited by hardware. Until now, dense-to-sparse methods have relied on hand-designed sparsity schedules that are not synchronized with the agent's learning pace. Crucially, the final sparsity level is chosen as a hyperparameter, which requires careful tuning as setting it too high might lead to poor performances. In this work, we address these shortcomings by crafting a dense-to-sparse algorithm that we name Eau De Q-Network (EauDeQN). To increase sparsity at the agent's learning pace, we consider multiple online networks with different sparsity levels, where each online network is trained from a shared target network. At each target update, the online network with the smallest loss is chosen as the next target network, while the other networks are replaced by a pruned version of the chosen network. We evaluate the proposed approach on the Atari 2600 benchmark and the MuJoCo physics simulator, showing that EauDeQN reaches high sparsity levels while keeping performances high.
Pruning at Initialization -- A Sketching Perspective
The lottery ticket hypothesis (LTH) has increased attention to pruning neural networks at initialization. We study this problem in the linear setting. We show that finding a sparse mask at initialization is equivalent to the sketching problem introduced for efficient matrix multiplication. This gives us tools to analyze the LTH problem and gain insights into it. Specifically, using the mask found at initialization, we bound the approximation error of the pruned linear model at the end of training. We theoretically justify previous empirical evidence that the search for sparse networks may be data independent. By using the sketching perspective, we suggest a generic improvement to existing algorithms for pruning at initialization, which we show to be beneficial in the data-independent case.
Sparse Iso-FLOP Transformations for Maximizing Training Efficiency
Recent works have explored the use of weight sparsity to improve the training efficiency (test accuracy w.r.t training FLOPs) of deep neural networks (DNNs). These works aim to reduce training FLOPs but training with sparse weights often leads to accuracy loss or requires longer training schedules, making the resulting training efficiency less clear. In contrast, we focus on using sparsity to increase accuracy while using the same FLOPs as the dense model and show training efficiency gains through higher accuracy. In this work, we introduce Sparse-IFT, a family of Sparse Iso-FLOP Transformations which are used as drop-in replacements for dense layers to improve their representational capacity and FLOP efficiency. Each transformation is parameterized by a single hyperparameter (sparsity level) and provides a larger search space to find optimal sparse masks. Without changing any training hyperparameters, replacing dense layers with Sparse-IFT leads to significant improvements across computer vision (CV) and natural language processing (NLP) tasks, including ResNet-18 on ImageNet (+3.5%) and GPT-3 Small on WikiText-103 (-0.4 PPL), both matching larger dense model variants that use 2x or more FLOPs. To our knowledge, this is the first work to demonstrate the use of sparsity for improving the accuracy of dense models via a simple-to-use set of sparse transformations. Code is available at: https://github.com/CerebrasResearch/Sparse-IFT.
HyperSparse Neural Networks: Shifting Exploration to Exploitation through Adaptive Regularization
Sparse neural networks are a key factor in developing resource-efficient machine learning applications. We propose the novel and powerful sparse learning method Adaptive Regularized Training (ART) to compress dense into sparse networks. Instead of the commonly used binary mask during training to reduce the number of model weights, we inherently shrink weights close to zero in an iterative manner with increasing weight regularization. Our method compresses the pre-trained model knowledge into the weights of highest magnitude. Therefore, we introduce a novel regularization loss named HyperSparse that exploits the highest weights while conserving the ability of weight exploration. Extensive experiments on CIFAR and TinyImageNet show that our method leads to notable performance gains compared to other sparsification methods, especially in extremely high sparsity regimes up to 99.8 percent model sparsity. Additional investigations provide new insights into the patterns that are encoded in weights with high magnitudes.
Masked Graph Autoencoder with Non-discrete Bandwidths
Masked graph autoencoders have emerged as a powerful graph self-supervised learning method that has yet to be fully explored. In this paper, we unveil that the existing discrete edge masking and binary link reconstruction strategies are insufficient to learn topologically informative representations, from the perspective of message propagation on graph neural networks. These limitations include blocking message flows, vulnerability to over-smoothness, and suboptimal neighborhood discriminability. Inspired by these understandings, we explore non-discrete edge masks, which are sampled from a continuous and dispersive probability distribution instead of the discrete Bernoulli distribution. These masks restrict the amount of output messages for each edge, referred to as "bandwidths". We propose a novel, informative, and effective topological masked graph autoencoder using bandwidth masking and a layer-wise bandwidth prediction objective. We demonstrate its powerful graph topological learning ability both theoretically and empirically. Our proposed framework outperforms representative baselines in both self-supervised link prediction (improving the discrete edge reconstructors by at most 20%) and node classification on numerous datasets, solely with a structure-learning pretext. Our implementation is available at https://github.com/Newiz430/Bandana.
SparseViT: Revisiting Activation Sparsity for Efficient High-Resolution Vision Transformer
High-resolution images enable neural networks to learn richer visual representations. However, this improved performance comes at the cost of growing computational complexity, hindering their usage in latency-sensitive applications. As not all pixels are equal, skipping computations for less-important regions offers a simple and effective measure to reduce the computation. This, however, is hard to be translated into actual speedup for CNNs since it breaks the regularity of the dense convolution workload. In this paper, we introduce SparseViT that revisits activation sparsity for recent window-based vision transformers (ViTs). As window attentions are naturally batched over blocks, actual speedup with window activation pruning becomes possible: i.e., ~50% latency reduction with 60% sparsity. Different layers should be assigned with different pruning ratios due to their diverse sensitivities and computational costs. We introduce sparsity-aware adaptation and apply the evolutionary search to efficiently find the optimal layerwise sparsity configuration within the vast search space. SparseViT achieves speedups of 1.5x, 1.4x, and 1.3x compared to its dense counterpart in monocular 3D object detection, 2D instance segmentation, and 2D semantic segmentation, respectively, with negligible to no loss of accuracy.
BLaST: High Performance Inference and Pretraining using BLock Sparse Transformers
The energy consumption of large-scale ML models is dominated by data movement - shuffling billions of parameters across memory hierarchies and data centers. Effective sparsification to prune redundant parameters is still challenging: existing methods incur significant accuracy degradation, performance overhead, or both. We introduce (Bl)ock (a)nd (S)parse (T)ransformers (BLaST), a general, robust, and reliable sparsification method applicable to linear layers in all settings. Our method iteratively sparsifies weight matrices into a block sparsity pattern suitable for efficient sparse matrix-matrix (SpMM) multiplication. BLaST achieves up to 95% sparsity in MLP weights with negligible accuracy loss. Our fused, highly optimized Sparse MLP kernel delivers up to 16.7x speedup over dense MLPs across 9 architectures and 8 datasets, resulting in up to 1.6x inference speedup, 1.11x pretraining speedup and up to 3.12x inference memory usage reduction. BLaST enables the next generation of large-scale AI systems by reducing energy use, memory footprint, and latency.
RESTORE: Graph Embedding Assessment Through Reconstruction
Following the success of Word2Vec embeddings, graph embeddings (GEs) have gained substantial traction. GEs are commonly generated and evaluated extrinsically on downstream applications, but intrinsic evaluations of the original graph properties in terms of topological structure and semantic information have been lacking. Understanding these will help identify the deficiency of the various families of GE methods when vectorizing graphs in terms of preserving the relevant knowledge or learning incorrect knowledge. To address this, we propose RESTORE, a framework for intrinsic GEs assessment through graph reconstruction. We show that reconstructing the original graph from the underlying GEs yields insights into the relative amount of information preserved in a given vector form. We first introduce the graph reconstruction task. We generate GEs from three GE families based on factorization methods, random walks, and deep learning (with representative algorithms from each family) on the CommonSense Knowledge Graph (CSKG). We analyze their effectiveness in preserving the (a) topological structure of node-level graph reconstruction with an increasing number of hops and (b) semantic information on various word semantic and analogy tests. Our evaluations show deep learning-based GE algorithm (SDNE) is overall better at preserving (a) with a mean average precision (mAP) of 0.54 and 0.35 for 2 and 3-hop reconstruction respectively, while the factorization-based algorithm (HOPE) is better at encapsulating (b) with an average Euclidean distance of 0.14, 0.17, and 0.11 for 1, 2, and 3-hop reconstruction respectively. The modest performance of these GEs leaves room for further research avenues on better graph representation learning.
Latent Graph Diffusion: A Unified Framework for Generation and Prediction on Graphs
In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) with one model. We first propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder which can also be decoded, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Then we formulate prediction tasks including regression and classification as (conditional) generation, which enables our LGD to solve tasks of all levels and all types with provable guarantees. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across generation and regression tasks.
Edge Representation Learning with Hypergraphs
Graph neural networks have recently achieved remarkable success in representing graph-structured data, with rapid progress in both the node embedding and graph pooling methods. Yet, they mostly focus on capturing information from the nodes considering their connectivity, and not much work has been done in representing the edges, which are essential components of a graph. However, for tasks such as graph reconstruction and generation, as well as graph classification tasks for which the edges are important for discrimination, accurately representing edges of a given graph is crucial to the success of the graph representation learning. To this end, we propose a novel edge representation learning framework based on Dual Hypergraph Transformation (DHT), which transforms the edges of a graph into the nodes of a hypergraph. This dual hypergraph construction allows us to apply message-passing techniques for node representations to edges. After obtaining edge representations from the hypergraphs, we then cluster or drop edges to obtain holistic graph-level edge representations. We validate our edge representation learning method with hypergraphs on diverse graph datasets for graph representation and generation performance, on which our method largely outperforms existing graph representation learning methods. Moreover, our edge representation learning and pooling method also largely outperforms state-of-the-art graph pooling methods on graph classification, not only because of its accurate edge representation learning, but also due to its lossless compression of the nodes and removal of irrelevant edges for effective message-passing.
Fast and Accurate Network Embeddings via Very Sparse Random Projection
We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.
Cascaded Sparse Feature Propagation Network for Interactive Segmentation
We aim to tackle the problem of point-based interactive segmentation, in which the key challenge is to propagate the user-provided annotations to unlabeled regions efficiently. Existing methods tackle this challenge by utilizing computationally expensive fully connected graphs or transformer architectures that sacrifice important fine-grained information required for accurate segmentation. To overcome these limitations, we propose a cascade sparse feature propagation network that learns a click-augmented feature representation for propagating user-provided information to unlabeled regions. The sparse design of our network enables efficient information propagation on high-resolution features, resulting in more detailed object segmentation. We validate the effectiveness of our method through comprehensive experiments on various benchmarks, and the results demonstrate the superior performance of our approach. Code is available at https://github.com/kleinzcy/CSFPN{https://github.com/kleinzcy/CSFPN}.
Lottery Tickets in Evolutionary Optimization: On Sparse Backpropagation-Free Trainability
Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.
SLUGGER: Lossless Hierarchical Summarization of Massive Graphs
Given a massive graph, how can we exploit its hierarchical structure for concisely but exactly summarizing the graph? By exploiting the structure, can we achieve better compression rates than state-of-the-art graph summarization methods? The explosive proliferation of the Web has accelerated the emergence of large graphs, such as online social networks and hyperlink networks. Consequently, graph compression has become increasingly important to process such large graphs without expensive I/O over the network or to disk. Among a number of approaches, graph summarization, which in essence combines similar nodes into a supernode and describe their connectivity concisely, protrudes with several advantages. However, we note that it fails to exploit pervasive hierarchical structures of real-world graphs as its underlying representation model enforces supernodes to be disjoint. In this work, we propose the hierarchical graph summarization model, which is an expressive graph representation model that includes the previous one proposed by Navlakha et al. as a special case. The new model represents an unweighted graph using positive and negative edges between hierarchical supernodes, each of which can contain others. Then, we propose Slugger, a scalable heuristic for concisely and exactly representing a given graph under our new model. Slugger greedily merges nodes into supernodes while maintaining and exploiting their hierarchy, which is later pruned. Slugger significantly accelerates this process by sampling, approximation, and memoization. Our experiments on 16 real-world graphs show that Slugger is (a) Effective: yielding up to 29.6% more concise summary than state-of-the-art lossless summarization methods, (b) Fast: summarizing a graph with 0.8 billion edges in a few hours, and (c) Scalable: scaling linearly with the number of edges in the input graph.
A Review of Sparse Expert Models in Deep Learning
Sparse expert models are a thirty-year old concept re-emerging as a popular architecture in deep learning. This class of architecture encompasses Mixture-of-Experts, Switch Transformers, Routing Networks, BASE layers, and others, all with the unifying idea that each example is acted on by a subset of the parameters. By doing so, the degree of sparsity decouples the parameter count from the compute per example allowing for extremely large, but efficient models. The resulting models have demonstrated significant improvements across diverse domains such as natural language processing, computer vision, and speech recognition. We review the concept of sparse expert models, provide a basic description of the common algorithms, contextualize the advances in the deep learning era, and conclude by highlighting areas for future work.
AUTOSPARSE: Towards Automated Sparse Training of Deep Neural Networks
Sparse training is emerging as a promising avenue for reducing the computational cost of training neural networks. Several recent studies have proposed pruning methods using learnable thresholds to efficiently explore the non-uniform distribution of sparsity inherent within the models. In this paper, we propose Gradient Annealing (GA), where gradients of masked weights are scaled down in a non-linear manner. GA provides an elegant trade-off between sparsity and accuracy without the need for additional sparsity-inducing regularization. We integrated GA with the latest learnable pruning methods to create an automated sparse training algorithm called AutoSparse, which achieves better accuracy and/or training/inference FLOPS reduction than existing learnable pruning methods for sparse ResNet50 and MobileNetV1 on ImageNet-1K: AutoSparse achieves (2x, 7x) reduction in (training,inference) FLOPS for ResNet50 on ImageNet at 80% sparsity. Finally, AutoSparse outperforms sparse-to-sparse SotA method MEST (uniform sparsity) for 80% sparse ResNet50 with similar accuracy, where MEST uses 12% more training FLOPS and 50% more inference FLOPS.
AP: Selective Activation for De-sparsifying Pruned Neural Networks
The rectified linear unit (ReLU) is a highly successful activation function in neural networks as it allows networks to easily obtain sparse representations, which reduces overfitting in overparameterized networks. However, in network pruning, we find that the sparsity introduced by ReLU, which we quantify by a term called dynamic dead neuron rate (DNR), is not beneficial for the pruned network. Interestingly, the more the network is pruned, the smaller the dynamic DNR becomes during optimization. This motivates us to propose a method to explicitly reduce the dynamic DNR for the pruned network, i.e., de-sparsify the network. We refer to our method as Activating-while-Pruning (AP). We note that AP does not function as a stand-alone method, as it does not evaluate the importance of weights. Instead, it works in tandem with existing pruning methods and aims to improve their performance by selective activation of nodes to reduce the dynamic DNR. We conduct extensive experiments using popular networks (e.g., ResNet, VGG) via two classical and three state-of-the-art pruning methods. The experimental results on public datasets (e.g., CIFAR-10/100) suggest that AP works well with existing pruning methods and improves the performance by 3% - 4%. For larger scale datasets (e.g., ImageNet) and state-of-the-art networks (e.g., vision transformer), we observe an improvement of 2% - 3% with AP as opposed to without. Lastly, we conduct an ablation study to examine the effectiveness of the components comprising AP.
SparseByteNN: A Novel Mobile Inference Acceleration Framework Based on Fine-Grained Group Sparsity
To address the challenge of increasing network size, researchers have developed sparse models through network pruning. However, maintaining model accuracy while achieving significant speedups on general computing devices remains an open problem. In this paper, we present a novel mobile inference acceleration framework SparseByteNN, which leverages fine-grained kernel sparsity to achieve real-time execution as well as high accuracy. Our framework consists of two parts: (a) A fine-grained kernel sparsity schema with a sparsity granularity between structured pruning and unstructured pruning. It designs multiple sparse patterns for different operators. Combined with our proposed whole network rearrangement strategy, the schema achieves a high compression rate and high precision at the same time. (b) Inference engine co-optimized with the sparse pattern. The conventional wisdom is that this reduction in theoretical FLOPs does not translate into real-world efficiency gains. We aim to correct this misconception by introducing a family of efficient sparse kernels for ARM and WebAssembly. Equipped with our efficient implementation of sparse primitives, we show that sparse versions of MobileNet-v1 outperform strong dense baselines on the efficiency-accuracy curve. Experimental results on Qualcomm 855 show that for 30% sparse MobileNet-v1, SparseByteNN achieves 1.27x speedup over the dense version and 1.29x speedup over the state-of-the-art sparse inference engine MNN with a slight accuracy drop of 0.224%. The source code of SparseByteNN will be available at https://github.com/lswzjuer/SparseByteNN
SpaRP: Fast 3D Object Reconstruction and Pose Estimation from Sparse Views
Open-world 3D generation has recently attracted considerable attention. While many single-image-to-3D methods have yielded visually appealing outcomes, they often lack sufficient controllability and tend to produce hallucinated regions that may not align with users' expectations. In this paper, we explore an important scenario in which the input consists of one or a few unposed 2D images of a single object, with little or no overlap. We propose a novel method, SpaRP, to reconstruct a 3D textured mesh and estimate the relative camera poses for these sparse-view images. SpaRP distills knowledge from 2D diffusion models and finetunes them to implicitly deduce the 3D spatial relationships between the sparse views. The diffusion model is trained to jointly predict surrogate representations for camera poses and multi-view images of the object under known poses, integrating all information from the input sparse views. These predictions are then leveraged to accomplish 3D reconstruction and pose estimation, and the reconstructed 3D model can be used to further refine the camera poses of input views. Through extensive experiments on three datasets, we demonstrate that our method not only significantly outperforms baseline methods in terms of 3D reconstruction quality and pose prediction accuracy but also exhibits strong efficiency. It requires only about 20 seconds to produce a textured mesh and camera poses for the input views. Project page: https://chaoxu.xyz/sparp.
Feature Flow Regularization: Improving Structured Sparsity in Deep Neural Networks
Pruning is a model compression method that removes redundant parameters in deep neural networks (DNNs) while maintaining accuracy. Most available filter pruning methods require complex treatments such as iterative pruning, features statistics/ranking, or additional optimization designs in the training process. In this paper, we propose a simple and effective regularization strategy from a new perspective of evolution of features, which we call feature flow regularization (FFR), for improving structured sparsity and filter pruning in DNNs. Specifically, FFR imposes controls on the gradient and curvature of feature flow along the neural network, which implicitly increases the sparsity of the parameters. The principle behind FFR is that coherent and smooth evolution of features will lead to an efficient network that avoids redundant parameters. The high structured sparsity obtained from FFR enables us to prune filters effectively. Experiments with VGGNets, ResNets on CIFAR-10/100, and Tiny ImageNet datasets demonstrate that FFR can significantly improve both unstructured and structured sparsity. Our pruning results in terms of reduction of parameters and FLOPs are comparable to or even better than those of state-of-the-art pruning methods.
Shortcut Partitions in Minor-Free Graphs: Steiner Point Removal, Distance Oracles, Tree Covers, and More
The notion of shortcut partition, introduced recently by Chang, Conroy, Le, Milenkovi\'c, Solomon, and Than [CCLMST23], is a new type of graph partition into low-diameter clusters. Roughly speaking, the shortcut partition guarantees that for every two vertices u and v in the graph, there exists a path between u and v that intersects only a few clusters. They proved that any planar graph admits a shortcut partition and gave several applications, including a construction of tree cover for arbitrary planar graphs with stretch 1+varepsilon and O(1) many trees for any fixed varepsilon in (0,1). However, the construction heavily exploits planarity in multiple steps, and is thus inherently limited to planar graphs. In this work, we breach the "planarity barrier" to construct a shortcut partition for K_r-minor-free graphs for any r. To this end, we take a completely different approach -- our key contribution is a novel deterministic variant of the cop decomposition in minor-free graphs [And86, AGG14]. Our shortcut partition for K_r-minor-free graphs yields several direct applications. Most notably, we construct the first optimal distance oracle for K_r-minor-free graphs, with 1+varepsilon stretch, linear space, and constant query time for any fixed varepsilon in (0,1). The previous best distance oracle [AG06] uses O(nlog n) space and O(log n) query time, and its construction relies on Robertson-Seymour structural theorem and other sophisticated tools. We also obtain the first tree cover of O(1) size for minor-free graphs with stretch 1+varepsilon, while the previous best (1+varepsilon)-tree cover has size O(log^2 n) [BFN19].
GraphMAE: Self-Supervised Masked Graph Autoencoders
Self-supervised learning (SSL) has been extensively explored in recent years. Particularly, generative SSL has seen emerging success in natural language processing and other AI fields, such as the wide adoption of BERT and GPT. Despite this, contrastive learning-which heavily relies on structural data augmentation and complicated training strategies-has been the dominant approach in graph SSL, while the progress of generative SSL on graphs, especially graph autoencoders (GAEs), has thus far not reached the potential as promised in other fields. In this paper, we identify and examine the issues that negatively impact the development of GAEs, including their reconstruction objective, training robustness, and error metric. We present a masked graph autoencoder GraphMAE that mitigates these issues for generative self-supervised graph pretraining. Instead of reconstructing graph structures, we propose to focus on feature reconstruction with both a masking strategy and scaled cosine error that benefit the robust training of GraphMAE. We conduct extensive experiments on 21 public datasets for three different graph learning tasks. The results manifest that GraphMAE-a simple graph autoencoder with careful designs-can consistently generate outperformance over both contrastive and generative state-of-the-art baselines. This study provides an understanding of graph autoencoders and demonstrates the potential of generative self-supervised pre-training on graphs.
Sparse Model Soups: A Recipe for Improved Pruning via Model Averaging
Neural networks can be significantly compressed by pruning, yielding sparse models with reduced storage and computational demands while preserving predictive performance. Model soups (Wortsman et al., 2022) enhance generalization and out-of-distribution (OOD) performance by averaging the parameters of multiple models into a single one, without increasing inference time. However, achieving both sparsity and parameter averaging is challenging as averaging arbitrary sparse models reduces the overall sparsity due to differing sparse connectivities. This work addresses these challenges by demonstrating that exploring a single retraining phase of Iterative Magnitude Pruning (IMP) with varied hyperparameter configurations such as batch ordering or weight decay yields models suitable for averaging, sharing identical sparse connectivity by design. Averaging these models significantly enhances generalization and OOD performance over their individual counterparts. Building on this, we introduce Sparse Model Soups (SMS), a novel method for merging sparse models by initiating each prune-retrain cycle with the averaged model from the previous phase. SMS preserves sparsity, exploits sparse network benefits, is modular and fully parallelizable, and substantially improves IMP's performance. We further demonstrate that SMS can be adapted to enhance state-of-the-art pruning-during-training approaches.
Structured Bayesian Compression for Deep Neural Networks Based on The Turbo-VBI Approach
With the growth of neural network size, model compression has attracted increasing interest in recent research. As one of the most common techniques, pruning has been studied for a long time. By exploiting the structured sparsity of the neural network, existing methods can prune neurons instead of individual weights. However, in most existing pruning methods, surviving neurons are randomly connected in the neural network without any structure, and the non-zero weights within each neuron are also randomly distributed. Such irregular sparse structure can cause very high control overhead and irregular memory access for the hardware and even increase the neural network computational complexity. In this paper, we propose a three-layer hierarchical prior to promote a more regular sparse structure during pruning. The proposed three-layer hierarchical prior can achieve per-neuron weight-level structured sparsity and neuron-level structured sparsity. We derive an efficient Turbo-variational Bayesian inferencing (Turbo-VBI) algorithm to solve the resulting model compression problem with the proposed prior. The proposed Turbo-VBI algorithm has low complexity and can support more general priors than existing model compression algorithms. Simulation results show that our proposed algorithm can promote a more regular structure in the pruned neural networks while achieving even better performance in terms of compression rate and inferencing accuracy compared with the baselines.
Breaking the Entanglement of Homophily and Heterophily in Semi-supervised Node Classification
Recently, graph neural networks (GNNs) have shown prominent performance in semi-supervised node classification by leveraging knowledge from the graph database. However, most existing GNNs follow the homophily assumption, where connected nodes are more likely to exhibit similar feature distributions and the same labels, and such an assumption has proven to be vulnerable in a growing number of practical applications. As a supplement, heterophily reflects dissimilarity in connected nodes, which has gained significant attention in graph learning. To this end, data engineers aim to develop a powerful GNN model that can ensure performance under both homophily and heterophily. Despite numerous attempts, most existing GNNs struggle to achieve optimal node representations due to the constraints of undirected graphs. The neglect of directed edges results in sub-optimal graph representations, thereby hindering the capacity of GNNs. To address this issue, we introduce AMUD, which quantifies the relationship between node profiles and topology from a statistical perspective, offering valuable insights for Adaptively Modeling the natural directed graphs as the Undirected or Directed graph to maximize the benefits from subsequent graph learning. Furthermore, we propose Adaptive Directed Pattern Aggregation (ADPA) as a new directed graph learning paradigm for AMUD. Empirical studies have demonstrated that AMUD guides efficient graph learning. Meanwhile, extensive experiments on 14 benchmark datasets substantiate the impressive performance of ADPA, outperforming baselines by significant margins of 3.96\%.
Joint Generative Modeling of Scene Graphs and Images via Diffusion Models
In this paper, we present a novel generative task: joint scene graph - image generation. While previous works have explored image generation conditioned on scene graphs or layouts, our task is distinctive and important as it involves generating scene graphs themselves unconditionally from noise, enabling efficient and interpretable control for image generation. Our task is challenging, requiring the generation of plausible scene graphs with heterogeneous attributes for nodes (objects) and edges (relations among objects), including continuous object bounding boxes and discrete object and relation categories. We introduce a novel diffusion model, DiffuseSG, that jointly models the adjacency matrix along with heterogeneous node and edge attributes. We explore various types of encodings for the categorical data, relaxing it into a continuous space. With a graph transformer being the denoiser, DiffuseSG successively denoises the scene graph representation in a continuous space and discretizes the final representation to generate the clean scene graph. Additionally, we introduce an IoU regularization to enhance the empirical performance. Our model significantly outperforms existing methods in scene graph generation on the Visual Genome and COCO-Stuff datasets, both on standard and newly introduced metrics that better capture the problem complexity. Moreover, we demonstrate the additional benefits of our model in two downstream applications: 1) excelling in a series of scene graph completion tasks, and 2) improving scene graph detection models by using extra training samples generated from DiffuseSG.
Towards Data-centric Machine Learning on Directed Graphs: a Survey
In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.
ClusterFuG: Clustering Fully connected Graphs by Multicut
We propose a graph clustering formulation based on multicut (a.k.a. weighted correlation clustering) on the complete graph. Our formulation does not need specification of the graph topology as in the original sparse formulation of multicut, making our approach simpler and potentially better performing. In contrast to unweighted correlation clustering we allow for a more expressive weighted cost structure. In dense multicut, the clustering objective is given in a factorized form as inner products of node feature vectors. This allows for an efficient formulation and inference in contrast to multicut/weighted correlation clustering, which has at least quadratic representation and computation complexity when working on the complete graph. We show how to rewrite classical greedy algorithms for multicut in our dense setting and how to modify them for greater efficiency and solution quality. In particular, our algorithms scale to graphs with tens of thousands of nodes. Empirical evidence on instance segmentation on Cityscapes and clustering of ImageNet datasets shows the merits of our approach.
DiffGraph: Heterogeneous Graph Diffusion Model
Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.
Ten Lessons We Have Learned in the New "Sparseland": A Short Handbook for Sparse Neural Network Researchers
This article does not propose any novel algorithm or new hardware for sparsity. Instead, it aims to serve the "common good" for the increasingly prosperous Sparse Neural Network (SNN) research community. We attempt to summarize some most common confusions in SNNs, that one may come across in various scenarios such as paper review/rebuttal and talks - many drawn from the authors' own bittersweet experiences! We feel that doing so is meaningful and timely, since the focus of SNN research is notably shifting from traditional pruning to more diverse and profound forms of sparsity before, during, and after training. The intricate relationships between their scopes, assumptions, and approaches lead to misunderstandings, for non-experts or even experts in SNNs. In response, we summarize ten Q\&As of SNNs from many key aspects, including dense vs. sparse, unstructured sparse vs. structured sparse, pruning vs. sparse training, dense-to-sparse training vs. sparse-to-sparse training, static sparsity vs. dynamic sparsity, before-training/during-training vs. post-training sparsity, and many more. We strive to provide proper and generically applicable answers to clarify those confusions to the best extent possible. We hope our summary provides useful general knowledge for people who want to enter and engage with this exciting community; and also provides some "mind of ease" convenience for SNN researchers to explain their work in the right contexts. At the very least (and perhaps as this article's most insignificant target functionality), if you are writing/planning to write a paper or rebuttal in the field of SNNs, we hope some of our answers could help you!
GraphEdit: Large Language Models for Graph Structure Learning
Graph Structure Learning (GSL) focuses on capturing intrinsic dependencies and interactions among nodes in graph-structured data by generating novel graph structures. Graph Neural Networks (GNNs) have emerged as promising GSL solutions, utilizing recursive message passing to encode node-wise inter-dependencies. However, many existing GSL methods heavily depend on explicit graph structural information as supervision signals, leaving them susceptible to challenges such as data noise and sparsity. In this work, we propose GraphEdit, an approach that leverages large language models (LLMs) to learn complex node relationships in graph-structured data. By enhancing the reasoning capabilities of LLMs through instruction-tuning over graph structures, we aim to overcome the limitations associated with explicit graph structural information and enhance the reliability of graph structure learning. Our approach not only effectively denoises noisy connections but also identifies node-wise dependencies from a global perspective, providing a comprehensive understanding of the graph structure. We conduct extensive experiments on multiple benchmark datasets to demonstrate the effectiveness and robustness of GraphEdit across various settings. We have made our model implementation available at: https://github.com/HKUDS/GraphEdit.
Grass: Compute Efficient Low-Memory LLM Training with Structured Sparse Gradients
Large language model (LLM) training and finetuning are often bottlenecked by limited GPU memory. While existing projection-based optimization methods address this by projecting gradients into a lower-dimensional subspace to reduce optimizer state memory, they typically rely on dense projection matrices, which can introduce computational and memory overheads. In this work, we propose Grass (GRAdient Stuctured Sparsification), a novel approach that leverages sparse projections to transform gradients into structured sparse updates. This design not only significantly reduces memory usage for optimizer states but also minimizes gradient memory footprint, computation, and communication costs, leading to substantial throughput improvements. Extensive experiments on pretraining and finetuning tasks demonstrate that Grass achieves competitive performance to full-rank training and existing projection-based methods. Notably, Grass enables half-precision pretraining of a 13B parameter LLaMA model on a single 40GB A100 GPU--a feat infeasible for previous methods--and yields up to a 2times throughput improvement on an 8-GPU system. Code can be found at https://github.com/aashiqmuhamed/GRASS .
Reduction Rules and ILP Are All You Need: Minimal Directed Feedback Vertex Set
This note describes the development of an exact solver for Minimal Directed Feedback Vertex Set as part of the PACE 2022 competition. The solver is powered largely by aggressively trying to reduce the DFVS problem to a Minimal Cover problem, and applying reduction rules adapted from Vertex Cover literature. The resulting problem is solved as an Integer Linear Program (ILP) using SCIP. The resulting solver performed the second-best in the competition, although a bug at submission time disqualified it. As an additional note, we describe a new vertex cover reduction generalizing the Desk reduction rule.
Error Feedback Can Accurately Compress Preconditioners
Leveraging second-order information about the loss at the scale of deep networks is one of the main lines of approach for improving the performance of current optimizers for deep learning. Yet, existing approaches for accurate full-matrix preconditioning, such as Full-Matrix Adagrad (GGT) or Matrix-Free Approximate Curvature (M-FAC) suffer from massive storage costs when applied even to small-scale models, as they must store a sliding window of gradients, whose memory requirements are multiplicative in the model dimension. In this paper, we address this issue via a novel and efficient error-feedback technique that can be applied to compress preconditioners by up to two orders of magnitude in practice, without loss of convergence. Specifically, our approach compresses the gradient information via sparsification or low-rank compression before it is fed into the preconditioner, feeding the compression error back into future iterations. Experiments on deep neural networks show that this approach can compress full-matrix preconditioners to up to 99\% sparsity without accuracy loss, effectively removing the memory overhead of full-matrix preconditioners such as GGT and M-FAC. Our code is available at https://github.com/IST-DASLab/EFCP.
Iterative Soft Shrinkage Learning for Efficient Image Super-Resolution
Image super-resolution (SR) has witnessed extensive neural network designs from CNN to transformer architectures. However, prevailing SR models suffer from prohibitive memory footprint and intensive computations, which limits further deployment on edge devices. This work investigates the potential of network pruning for super-resolution to take advantage of off-the-shelf network designs and reduce the underlying computational overhead. Two main challenges remain in applying pruning methods for SR. First, the widely-used filter pruning technique reflects limited granularity and restricted adaptability to diverse network structures. Second, existing pruning methods generally operate upon a pre-trained network for the sparse structure determination, hard to get rid of dense model training in the traditional SR paradigm. To address these challenges, we adopt unstructured pruning with sparse models directly trained from scratch. Specifically, we propose a novel Iterative Soft Shrinkage-Percentage (ISS-P) method by optimizing the sparse structure of a randomly initialized network at each iteration and tweaking unimportant weights with a small amount proportional to the magnitude scale on-the-fly. We observe that the proposed ISS-P can dynamically learn sparse structures adapting to the optimization process and preserve the sparse model's trainability by yielding a more regularized gradient throughput. Experiments on benchmark datasets demonstrate the effectiveness of the proposed ISS-P over diverse network architectures. Code is available at https://github.com/Jiamian-Wang/Iterative-Soft-Shrinkage-SR
CoLiDE: Concomitant Linear DAG Estimation
We deal with the combinatorial problem of learning directed acyclic graph (DAG) structure from observational data adhering to a linear structural equation model (SEM). Leveraging advances in differentiable, nonconvex characterizations of acyclicity, recent efforts have advocated a continuous constrained optimization paradigm to efficiently explore the space of DAGs. Most existing methods employ lasso-type score functions to guide this search, which (i) require expensive penalty parameter retuning when the unknown SEM noise variances change across problem instances; and (ii) implicitly rely on limiting homoscedasticity assumptions. In this work, we propose a new convex score function for sparsity-aware learning of linear DAGs, which incorporates concomitant estimation of scale and thus effectively decouples the sparsity parameter from the exogenous noise levels. Regularization via a smooth, nonconvex acyclicity penalty term yields CoLiDE (Concomitant Linear DAG Estimation), a regression-based criterion amenable to efficient gradient computation and closed-form estimation of noise variances in heteroscedastic scenarios. Our algorithm outperforms state-of-the-art methods without incurring added complexity, especially when the DAGs are larger and the noise level profile is heterogeneous. We also find CoLiDE exhibits enhanced stability manifested via reduced standard deviations in several domain-specific metrics, underscoring the robustness of our novel linear DAG estimator.
CHESS: Optimizing LLM Inference via Channel-Wise Thresholding and Selective Sparsification
Deploying large language models (LLMs) on edge devices presents significant challenges due to the substantial computational overhead and memory requirements. Activation sparsification can mitigate these challenges by reducing the number of activated neurons during inference. Existing methods typically employ thresholding-based sparsification based on the statistics of activation tensors. However, these methods do not explicitly model the impact of activation sparsification on performance, leading to suboptimal performance degradation. To address this issue, this paper reformulates the activation sparsification problem by introducing a new objective that optimizes the sparsification decisions. Building on this reformulation, we propose CHESS, a general activation sparsification approach via CHannel-wise thrEsholding and Selective Sparsification. First, channel-wise thresholding assigns a unique threshold to each activation channel in the feed-forward network (FFN) layers. Then, selective sparsification involves applying thresholding-based activation sparsification to specific layers within the attention modules. Finally, we detail the implementation of sparse kernels to accelerate LLM inference. Experimental results demonstrate that the proposed CHESS achieves lower performance degradation over 8 downstream tasks while activating fewer parameters compared to existing methods, thus speeding up the LLM inference by up to 1.27x.
Structurally Prune Anything: Any Architecture, Any Framework, Any Time
Neural network pruning serves as a critical technique for enhancing the efficiency of deep learning models. Unlike unstructured pruning, which only sets specific parameters to zero, structured pruning eliminates entire channels, thus yielding direct computational and storage benefits. However, the diverse patterns for coupling parameters, such as residual connections and group convolutions, the diverse deep learning frameworks, and the various time stages at which pruning can be performed make existing pruning methods less adaptable to different architectures, frameworks, and pruning criteria. To address this, we introduce Structurally Prune Anything (SPA), a versatile structured pruning framework that can prune neural networks with any architecture, from any framework, and at any stage of training. SPA leverages a standardized computational graph and ONNX representation to prune diverse neural network architectures without the need for manual intervention. SPA employs a group-level importance estimation method, which groups dependent computational operators, estimates their importance, and prunes unimportant coupled channels. This enables the transfer of various existing pruning criteria into a structured group style. As a result, SPA supports pruning at any time, either before training, after training with fine-tuning, or after training without fine-tuning. In the context of the latter, we introduce Optimal Brain SPA (OBSPA), an algorithm that achieves state-of-the-art pruning results needing neither fine-tuning nor calibration data. In extensive experiments, SPA shows competitive to state-of-the-art pruning performance across various architectures, from popular frameworks, at different pruning times.
Lottery Jackpots Exist in Pre-trained Models
Network pruning is an effective approach to reduce network complexity with acceptable performance compromise. Existing studies achieve the sparsity of neural networks via time-consuming weight training or complex searching on networks with expanded width, which greatly limits the applications of network pruning. In this paper, we show that high-performing and sparse sub-networks without the involvement of weight training, termed "lottery jackpots", exist in pre-trained models with unexpanded width. Furthermore, we improve the efficiency for searching lottery jackpots from two perspectives. Firstly, we observe that the sparse masks derived from many existing pruning criteria have a high overlap with the searched mask of our lottery jackpot, among which, the magnitude-based pruning results in the most similar mask with ours. Consequently, our searched lottery jackpot removes 90% weights in ResNet-50, while it easily obtains more than 70% top-1 accuracy using only 5 searching epochs on ImageNet. In compliance with this insight, we initialize our sparse mask using the magnitude-based pruning, resulting in at least 3x cost reduction on the lottery jackpot searching while achieving comparable or even better performance. Secondly, we conduct an in-depth analysis of the searching process for lottery jackpots. Our theoretical result suggests that the decrease in training loss during weight searching can be disturbed by the dependency between weights in modern networks. To mitigate this, we propose a novel short restriction method to restrict change of masks that may have potential negative impacts on the training loss. Our code is available at https://github.com/zyxxmu/lottery-jackpots.
Differentiable Transportation Pruning
Deep learning algorithms are increasingly employed at the edge. However, edge devices are resource constrained and thus require efficient deployment of deep neural networks. Pruning methods are a key tool for edge deployment as they can improve storage, compute, memory bandwidth, and energy usage. In this paper we propose a novel accurate pruning technique that allows precise control over the output network size. Our method uses an efficient optimal transportation scheme which we make end-to-end differentiable and which automatically tunes the exploration-exploitation behavior of the algorithm to find accurate sparse sub-networks. We show that our method achieves state-of-the-art performance compared to previous pruning methods on 3 different datasets, using 5 different models, across a wide range of pruning ratios, and with two types of sparsity budgets and pruning granularities.
To prune, or not to prune: exploring the efficacy of pruning for model compression
Model pruning seeks to induce sparsity in a deep neural network's various connection matrices, thereby reducing the number of nonzero-valued parameters in the model. Recent reports (Han et al., 2015; Narang et al., 2017) prune deep networks at the cost of only a marginal loss in accuracy and achieve a sizable reduction in model size. This hints at the possibility that the baseline models in these experiments are perhaps severely over-parameterized at the outset and a viable alternative for model compression might be to simply reduce the number of hidden units while maintaining the model's dense connection structure, exposing a similar trade-off in model size and accuracy. We investigate these two distinct paths for model compression within the context of energy-efficient inference in resource-constrained environments and propose a new gradual pruning technique that is simple and straightforward to apply across a variety of models/datasets with minimal tuning and can be seamlessly incorporated within the training process. We compare the accuracy of large, but pruned models (large-sparse) and their smaller, but dense (small-dense) counterparts with identical memory footprint. Across a broad range of neural network architectures (deep CNNs, stacked LSTM, and seq2seq LSTM models), we find large-sparse models to consistently outperform small-dense models and achieve up to 10x reduction in number of non-zero parameters with minimal loss in accuracy.
Exphormer: Sparse Transformers for Graphs
Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining accuracy competitive with message-passing networks. In this paper, we introduce Exphormer, a framework for building powerful and scalable graph transformers. Exphormer consists of a sparse attention mechanism based on two mechanisms: virtual global nodes and expander graphs, whose mathematical characteristics, such as spectral expansion, pseduorandomness, and sparsity, yield graph transformers with complexity only linear in the size of the graph, while allowing us to prove desirable theoretical properties of the resulting transformer models. We show that incorporating Exphormer into the recently-proposed GraphGPS framework produces models with competitive empirical results on a wide variety of graph datasets, including state-of-the-art results on three datasets. We also show that Exphormer can scale to datasets on larger graphs than shown in previous graph transformer architectures. Code can be found at https://github.com/hamed1375/Exphormer.
Efficient Pruning of Text-to-Image Models: Insights from Pruning Stable Diffusion
As text-to-image models grow increasingly powerful and complex, their burgeoning size presents a significant obstacle to widespread adoption, especially on resource-constrained devices. This paper presents a pioneering study on post-training pruning of Stable Diffusion 2, addressing the critical need for model compression in text-to-image domain. Our study tackles the pruning techniques for the previously unexplored multi-modal generation models, and particularly examines the pruning impact on the textual component and the image generation component separately. We conduct a comprehensive comparison on pruning the model or the single component of the model in various sparsities. Our results yield previously undocumented findings. For example, contrary to established trends in language model pruning, we discover that simple magnitude pruning outperforms more advanced techniques in text-to-image context. Furthermore, our results show that Stable Diffusion 2 can be pruned to 38.5% sparsity with minimal quality loss, achieving a significant reduction in model size. We propose an optimal pruning configuration that prunes the text encoder to 47.5% and the diffusion generator to 35%. This configuration maintains image generation quality while substantially reducing computational requirements. In addition, our work uncovers intriguing questions about information encoding in text-to-image models: we observe that pruning beyond certain thresholds leads to sudden performance drops (unreadable images), suggesting that specific weights encode critical semantics information. This finding opens new avenues for future research in model compression, interoperability, and bias identification in text-to-image models. By providing crucial insights into the pruning behavior of text-to-image models, our study lays the groundwork for developing more efficient and accessible AI-driven image generation systems
Efficient block contrastive learning via parameter-free meta-node approximation
Contrastive learning has recently achieved remarkable success in many domains including graphs. However contrastive loss, especially for graphs, requires a large number of negative samples which is unscalable and computationally prohibitive with a quadratic time complexity. Sub-sampling is not optimal and incorrect negative sampling leads to sampling bias. In this work, we propose a meta-node based approximation technique that can (a) proxy all negative combinations (b) in quadratic cluster size time complexity, (c) at graph level, not node level, and (d) exploit graph sparsity. By replacing node-pairs with additive cluster-pairs, we compute the negatives in cluster-time at graph level. The resulting Proxy approximated meta-node Contrastive (PamC) loss, based on simple optimized GPU operations, captures the full set of negatives, yet is efficient with a linear time complexity. By avoiding sampling, we effectively eliminate sample bias. We meet the criterion for larger number of samples, thus achieving block-contrastiveness, which is proven to outperform pair-wise losses. We use learnt soft cluster assignments for the meta-node constriction, and avoid possible heterophily and noise added during edge creation. Theoretically, we show that real world graphs easily satisfy conditions necessary for our approximation. Empirically, we show promising accuracy gains over state-of-the-art graph clustering on 6 benchmarks. Importantly, we gain substantially in efficiency; up to 3x in training time, 1.8x in inference time and over 5x in GPU memory reduction.
Fast Convex Pruning of Deep Neural Networks
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.
Regularization-based Pruning of Irrelevant Weights in Deep Neural Architectures
Deep neural networks exploiting millions of parameters are nowadays the norm in deep learning applications. This is a potential issue because of the great amount of computational resources needed for training, and of the possible loss of generalization performance of overparametrized networks. We propose in this paper a method for learning sparse neural topologies via a regularization technique which identifies non relevant weights and selectively shrinks their norm, while performing a classic update for relevant ones. This technique, which is an improvement of classical weight decay, is based on the definition of a regularization term which can be added to any loss functional regardless of its form, resulting in a unified general framework exploitable in many different contexts. The actual elimination of parameters identified as irrelevant is handled by an iterative pruning algorithm. We tested the proposed technique on different image classification and Natural language generation tasks, obtaining results on par or better then competitors in terms of sparsity and metrics, while achieving strong models compression.
SparseGS-W: Sparse-View 3D Gaussian Splatting in the Wild with Generative Priors
Synthesizing novel views of large-scale scenes from unconstrained in-the-wild images is an important but challenging task in computer vision. Existing methods, which optimize per-image appearance and transient occlusion through implicit neural networks from dense training views (approximately 1000 images), struggle to perform effectively under sparse input conditions, resulting in noticeable artifacts. To this end, we propose SparseGS-W, a novel framework based on 3D Gaussian Splatting that enables the reconstruction of complex outdoor scenes and handles occlusions and appearance changes with as few as five training images. We leverage geometric priors and constrained diffusion priors to compensate for the lack of multi-view information from extremely sparse input. Specifically, we propose a plug-and-play Constrained Novel-View Enhancement module to iteratively improve the quality of rendered novel views during the Gaussian optimization process. Furthermore, we propose an Occlusion Handling module, which flexibly removes occlusions utilizing the inherent high-quality inpainting capability of constrained diffusion priors. Both modules are capable of extracting appearance features from any user-provided reference image, enabling flexible modeling of illumination-consistent scenes. Extensive experiments on the PhotoTourism and Tanks and Temples datasets demonstrate that SparseGS-W achieves state-of-the-art performance not only in full-reference metrics, but also in commonly used non-reference metrics such as FID, ClipIQA, and MUSIQ.
Understanding Oversquashing in GNNs through the Lens of Effective Resistance
Message passing graph neural networks (GNNs) are a popular learning architectures for graph-structured data. However, one problem GNNs experience is oversquashing, where a GNN has difficulty sending information between distant nodes. Understanding and mitigating oversquashing has recently received significant attention from the research community. In this paper, we continue this line of work by analyzing oversquashing through the lens of the effective resistance between nodes in the input graph. Effective resistance intuitively captures the ``strength'' of connection between two nodes by paths in the graph, and has a rich literature spanning many areas of graph theory. We propose to use total effective resistance as a bound of the total amount of oversquashing in a graph and provide theoretical justification for its use. We further develop an algorithm to identify edges to be added to an input graph to minimize the total effective resistance, thereby alleviating oversquashing. We provide empirical evidence of the effectiveness of our total effective resistance based rewiring strategies for improving the performance of GNNs.
Temporal Generalization Estimation in Evolving Graphs
Graph Neural Networks (GNNs) are widely deployed in vast fields, but they often struggle to maintain accurate representations as graphs evolve. We theoretically establish a lower bound, proving that under mild conditions, representation distortion inevitably occurs over time. To estimate the temporal distortion without human annotation after deployment, one naive approach is to pre-train a recurrent model (e.g., RNN) before deployment and use this model afterwards, but the estimation is far from satisfactory. In this paper, we analyze the representation distortion from an information theory perspective, and attribute it primarily to inaccurate feature extraction during evolution. Consequently, we introduce Smart, a straightforward and effective baseline enhanced by an adaptive feature extractor through self-supervised graph reconstruction. In synthetic random graphs, we further refine the former lower bound to show the inevitable distortion over time and empirically observe that Smart achieves good estimation performance. Moreover, we observe that Smart consistently shows outstanding generalization estimation on four real-world evolving graphs. The ablation studies underscore the necessity of graph reconstruction. For example, on OGB-arXiv dataset, the estimation metric MAPE deteriorates from 2.19% to 8.00% without reconstruction.
Reprogramming under constraints: Revisiting efficient and reliable transferability of lottery tickets
In the era of foundation models with huge pre-training budgets, the downstream tasks have been shifted to the narrative of efficient and fast adaptation. For classification-based tasks in the domain of computer vision, the two most efficient approaches have been linear probing (LP) and visual prompting/reprogramming (VP); the former aims to learn a classifier in the form of a linear head on the features extracted by the pre-trained model, while the latter maps the input data to the domain of the source data on which the model was originally pre-trained on. Although extensive studies have demonstrated the differences between LP and VP in terms of downstream performance, we explore the capabilities of the two aforementioned methods via the sparsity axis: (a) Data sparsity: the impact of few-shot adaptation and (b) Model sparsity: the impact of lottery tickets (LT). We demonstrate that LT are not universal reprogrammers, i.e., for certain target datasets, reprogramming an LT yields significantly lower performance than the reprogrammed dense model although their corresponding upstream performance is similar. Further, we demonstrate that the calibration of dense models is always superior to that of their lottery ticket counterparts under both LP and VP regimes. Our empirical study opens a new avenue of research into VP for sparse models and encourages further understanding of the performance beyond the accuracy achieved by VP under constraints of sparsity. Code and logs can be accessed at https://github.com/landskape-ai/Reprogram_LT.
Online Graph Dictionary Learning
Dictionary learning is a key tool for representation learning, that explains the data as linear combination of few basic elements. Yet, this analysis is not amenable in the context of graph learning, as graphs usually belong to different metric spaces. We fill this gap by proposing a new online Graph Dictionary Learning approach, which uses the Gromov Wasserstein divergence for the data fitting term. In our work, graphs are encoded through their nodes' pairwise relations and modeled as convex combination of graph atoms, i.e. dictionary elements, estimated thanks to an online stochastic algorithm, which operates on a dataset of unregistered graphs with potentially different number of nodes. Our approach naturally extends to labeled graphs, and is completed by a novel upper bound that can be used as a fast approximation of Gromov Wasserstein in the embedding space. We provide numerical evidences showing the interest of our approach for unsupervised embedding of graph datasets and for online graph subspace estimation and tracking.
Graph Density-Aware Losses for Novel Compositions in Scene Graph Generation
Scene graph generation (SGG) aims to predict graph-structured descriptions of input images, in the form of objects and relationships between them. This task is becoming increasingly useful for progress at the interface of vision and language. Here, it is important - yet challenging - to perform well on novel (zero-shot) or rare (few-shot) compositions of objects and relationships. In this paper, we identify two key issues that limit such generalization. Firstly, we show that the standard loss used in this task is unintentionally a function of scene graph density. This leads to the neglect of individual edges in large sparse graphs during training, even though these contain diverse few-shot examples that are important for generalization. Secondly, the frequency of relationships can create a strong bias in this task, such that a blind model predicting the most frequent relationship achieves good performance. Consequently, some state-of-the-art models exploit this bias to improve results. We show that such models can suffer the most in their ability to generalize to rare compositions, evaluating two different models on the Visual Genome dataset and its more recent, improved version, GQA. To address these issues, we introduce a density-normalized edge loss, which provides more than a two-fold improvement in certain generalization metrics. Compared to other works in this direction, our enhancements require only a few lines of code and no added computational cost. We also highlight the difficulty of accurately evaluating models using existing metrics, especially on zero/few shots, and introduce a novel weighted metric.
Improved Algorithm and Bounds for Successive Projection
Given a K-vertex simplex in a d-dimensional space, suppose we measure n points on the simplex with noise (hence, some of the observed points fall outside the simplex). Vertex hunting is the problem of estimating the K vertices of the simplex. A popular vertex hunting algorithm is successive projection algorithm (SPA). However, SPA is observed to perform unsatisfactorily under strong noise or outliers. We propose pseudo-point SPA (pp-SPA). It uses a projection step and a denoise step to generate pseudo-points and feed them into SPA for vertex hunting. We derive error bounds for pp-SPA, leveraging on extreme value theory of (possibly) high-dimensional random vectors. The results suggest that pp-SPA has faster rates and better numerical performances than SPA. Our analysis includes an improved non-asymptotic bound for the original SPA, which is of independent interest.
k-Sparse Autoencoders
Recently, it has been observed that when representations are learnt in a way that encourages sparsity, improved performance is obtained on classification tasks. These methods involve combinations of activation functions, sampling steps and different kinds of penalties. To investigate the effectiveness of sparsity by itself, we propose the k-sparse autoencoder, which is an autoencoder with linear activation function, where in hidden layers only the k highest activities are kept. When applied to the MNIST and NORB datasets, we find that this method achieves better classification results than denoising autoencoders, networks trained with dropout, and RBMs. k-sparse autoencoders are simple to train and the encoding stage is very fast, making them well-suited to large problem sizes, where conventional sparse coding algorithms cannot be applied.
Visualizing Large-scale and High-dimensional Data
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.
Learning to Route in Similarity Graphs
Recently similarity graphs became the leading paradigm for efficient nearest neighbor search, outperforming traditional tree-based and LSH-based methods. Similarity graphs perform the search via greedy routing: a query traverses the graph and in each vertex moves to the adjacent vertex that is the closest to this query. In practice, similarity graphs are often susceptible to local minima, when queries do not reach its nearest neighbors, getting stuck in suboptimal vertices. In this paper we propose to learn the routing function that overcomes local minima via incorporating information about the graph global structure. In particular, we augment the vertices of a given graph with additional representations that are learned to provide the optimal routing from the start vertex to the query nearest neighbor. By thorough experiments, we demonstrate that the proposed learnable routing successfully diminishes the local minima problem and significantly improves the overall search performance.
GraphPrompter: Multi-stage Adaptive Prompt Optimization for Graph In-Context Learning
Graph In-Context Learning, with the ability to adapt pre-trained graph models to novel and diverse downstream graphs without updating any parameters, has gained much attention in the community. The key to graph in-context learning is to perform downstream graphs conditioned on chosen prompt examples. Existing methods randomly select subgraphs or edges as prompts, leading to noisy graph prompts and inferior model performance. Additionally, due to the gap between pre-training and testing graphs, when the number of classes in the testing graphs is much greater than that in the training, the in-context learning ability will also significantly deteriorate. To tackle the aforementioned challenges, we develop a multi-stage adaptive prompt optimization method GraphPrompter, which optimizes the entire process of generating, selecting, and using graph prompts for better in-context learning capabilities. Firstly, Prompt Generator introduces a reconstruction layer to highlight the most informative edges and reduce irrelevant noise for graph prompt construction. Furthermore, in the selection stage, Prompt Selector employs the k-nearest neighbors algorithm and pre-trained selection layers to dynamically choose appropriate samples and minimize the influence of irrelevant prompts. Finally, we leverage a Prompt Augmenter with a cache replacement strategy to enhance the generalization capability of the pre-trained model on new datasets. Extensive experiments show that GraphPrompter effectively enhances the in-context learning ability of graph models. On average across all the settings, our approach surpasses the state-of-the-art baselines by over 8%. Our code is released at https://github.com/karin0018/GraphPrompter.
Learning Structured Sparsity in Deep Neural Networks
High demand for computation resources severely hinders deployment of large-scale Deep Neural Networks (DNN) in resource constrained devices. In this work, we propose a Structured Sparsity Learning (SSL) method to regularize the structures (i.e., filters, channels, filter shapes, and layer depth) of DNNs. SSL can: (1) learn a compact structure from a bigger DNN to reduce computation cost; (2) obtain a hardware-friendly structured sparsity of DNN to efficiently accelerate the DNNs evaluation. Experimental results show that SSL achieves on average 5.1x and 3.1x speedups of convolutional layer computation of AlexNet against CPU and GPU, respectively, with off-the-shelf libraries. These speedups are about twice speedups of non-structured sparsity; (3) regularize the DNN structure to improve classification accuracy. The results show that for CIFAR-10, regularization on layer depth can reduce 20 layers of a Deep Residual Network (ResNet) to 18 layers while improve the accuracy from 91.25% to 92.60%, which is still slightly higher than that of original ResNet with 32 layers. For AlexNet, structure regularization by SSL also reduces the error by around ~1%. Open source code is in https://github.com/wenwei202/caffe/tree/scnn
Investigating Sparsity in Recurrent Neural Networks
In the past few years, neural networks have evolved from simple Feedforward Neural Networks to more complex neural networks, such as Convolutional Neural Networks and Recurrent Neural Networks. Where CNNs are a perfect fit for tasks where the sequence is not important such as image recognition, RNNs are useful when order is important such as machine translation. An increasing number of layers in a neural network is one way to improve its performance, but it also increases its complexity making it much more time and power-consuming to train. One way to tackle this problem is to introduce sparsity in the architecture of the neural network. Pruning is one of the many methods to make a neural network architecture sparse by clipping out weights below a certain threshold while keeping the performance near to the original. Another way is to generate arbitrary structures using random graphs and embed them between an input and output layer of an Artificial Neural Network. Many researchers in past years have focused on pruning mainly CNNs, while hardly any research is done for the same in RNNs. The same also holds in creating sparse architectures for RNNs by generating and embedding arbitrary structures. Therefore, this thesis focuses on investigating the effects of the before-mentioned two techniques on the performance of RNNs. We first describe the pruning of RNNs, its impact on the performance of RNNs, and the number of training epochs required to regain accuracy after the pruning is performed. Next, we continue with the creation and training of Sparse Recurrent Neural Networks and identify the relation between the performance and the graph properties of its underlying arbitrary structure. We perform these experiments on RNN with Tanh nonlinearity (RNN-Tanh), RNN with ReLU nonlinearity (RNN-ReLU), GRU, and LSTM. Finally, we analyze and discuss the results achieved from both the experiments.
DiGress: Discrete Denoising diffusion for graph generation
This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the process of adding or removing edges and changing the categories. A graph transformer network is trained to revert this process, simplifying the problem of distribution learning over graphs into a sequence of node and edge classification tasks. We further improve sample quality by introducing a Markovian noise model that preserves the marginal distribution of node and edge types during diffusion, and by incorporating auxiliary graph-theoretic features. A procedure for conditioning the generation on graph-level features is also proposed. DiGress achieves state-of-the-art performance on molecular and non-molecular datasets, with up to 3x validity improvement on a planar graph dataset. It is also the first model to scale to the large GuacaMol dataset containing 1.3M drug-like molecules without the use of molecule-specific representations.
DAGs with NO TEARS: Continuous Optimization for Structure Learning
Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: We formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless. The proposed method outperforms existing ones, without imposing any structural assumptions on the graph such as bounded treewidth or in-degree. Code implementing the proposed algorithm is open-source and publicly available at https://github.com/xunzheng/notears.
SparCL: Sparse Continual Learning on the Edge
Existing work in continual learning (CL) focuses on mitigating catastrophic forgetting, i.e., model performance deterioration on past tasks when learning a new task. However, the training efficiency of a CL system is under-investigated, which limits the real-world application of CL systems under resource-limited scenarios. In this work, we propose a novel framework called Sparse Continual Learning(SparCL), which is the first study that leverages sparsity to enable cost-effective continual learning on edge devices. SparCL achieves both training acceleration and accuracy preservation through the synergy of three aspects: weight sparsity, data efficiency, and gradient sparsity. Specifically, we propose task-aware dynamic masking (TDM) to learn a sparse network throughout the entire CL process, dynamic data removal (DDR) to remove less informative training data, and dynamic gradient masking (DGM) to sparsify the gradient updates. Each of them not only improves efficiency, but also further mitigates catastrophic forgetting. SparCL consistently improves the training efficiency of existing state-of-the-art (SOTA) CL methods by at most 23X less training FLOPs, and, surprisingly, further improves the SOTA accuracy by at most 1.7%. SparCL also outperforms competitive baselines obtained from adapting SOTA sparse training methods to the CL setting in both efficiency and accuracy. We also evaluate the effectiveness of SparCL on a real mobile phone, further indicating the practical potential of our method.
A Survey on Machine Learning Solutions for Graph Pattern Extraction
A subgraph is constructed by using a subset of vertices and edges of a given graph. There exist many graph properties that are hereditary for subgraphs. Hence, researchers from different communities have paid a great deal of attention in studying numerous subgraph problems, on top of the ordinary graph problems. Many algorithms are proposed in studying subgraph problems, where one common approach is by extracting the patterns and structures of a given graph. Due to the complex structures of certain types of graphs and to improve overall performances of the existing frameworks, machine learning techniques have recently been employed in dealing with various subgraph problems. In this article, we present a comprehensive review on five well known subgraph problems that have been tackled by using machine learning methods. They are subgraph isomorphism (both counting and matching), maximum common subgraph, community detection and community search problems. We provide an outline of each proposed method, and examine its designs and performances. We also explore non-learning-based algorithms for each problem and a brief discussion is given. We then suggest some promising research directions in this area, hoping that relevant subgraph problems can be tackled by using a similar strategy. Since there is a huge growth in employing machine learning techniques in recent years, we believe that this survey will serve as a good reference point to relevant research communities.
ECoFLaP: Efficient Coarse-to-Fine Layer-Wise Pruning for Vision-Language Models
Large Vision-Language Models (LVLMs) can understand the world comprehensively by integrating rich information from different modalities, achieving remarkable advancements on various multimodal downstream tasks. However, deploying LVLMs is often problematic due to their massive computational/energy costs and carbon consumption. Such issues make it infeasible to adopt conventional iterative global pruning, which is costly due to computing the Hessian matrix of the entire large model for sparsification. Alternatively, several studies have recently proposed layer-wise pruning approaches to avoid the expensive computation of global pruning and efficiently compress model weights according to their importance within a layer. However, they often suffer from suboptimal model compression due to their lack of a global perspective. To address this limitation in recent efficient pruning methods for large models, we propose Efficient Coarse-to-Fine LayerWise Pruning (ECoFLaP), a two-stage coarse-to-fine weight pruning approach for LVLMs. We first determine the sparsity ratios of different layers or blocks by leveraging the global importance score, which is efficiently computed based on the zeroth-order approximation of the global model gradients. Then, the model performs local layer-wise unstructured weight pruning based on globally-informed sparsity ratios. We validate our proposed method across various multimodal and unimodal models and datasets, demonstrating significant performance improvements over prevalent pruning techniques in the high-sparsity regime.
MARIOH: Multiplicity-Aware Hypergraph Reconstruction
Hypergraphs offer a powerful framework for modeling higher-order interactions that traditional pairwise graphs cannot fully capture. However, practical constraints often lead to their simplification into projected graphs, resulting in substantial information loss and ambiguity in representing higher-order relationships. In this work, we propose MARIOH, a supervised approach for reconstructing the original hypergraph from its projected graph by leveraging edge multiplicity. To overcome the difficulties posed by the large search space, MARIOH integrates several key ideas: (a) identifying provable size-2 hyperedges, which reduces the candidate search space, (b) predicting the likelihood of candidates being hyperedges by utilizing both structural and multiplicity-related features, and (c) not only targeting promising hyperedge candidates but also examining less confident ones to explore alternative possibilities. Together, these ideas enable MARIOH to efficiently and effectively explore the search space. In our experiments using 10 real-world datasets, MARIOH achieves up to 74.51% higher reconstruction accuracy compared to state-of-the-art methods.
Feature Expansion for Graph Neural Networks
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.
Dynamic Load Balancing Strategies for Graph Applications on GPUs
Acceleration of graph applications on GPUs has found large interest due to the ubiquitous use of graph processing in various domains. The inherent irregularity in graph applications leads to several challenges for parallelization. A key challenge, which we address in this paper, is that of load-imbalance. If the work-assignment to threads uses node-based graph partitioning, it can result in skewed task-distribution, leading to poor load-balance. In contrast, if the work-assignment uses edge-based graph partitioning, the load-balancing is better, but the memory requirement is relatively higher. This makes it unsuitable for large graphs. In this work, we propose three techniques for improved load-balancing of graph applications on GPUs. Each technique brings in unique advantages, and a user may have to employ a specific technique based on the requirement. Using Breadth First Search and Single Source Shortest Paths as our processing kernels, we illustrate the effectiveness of each of the proposed techniques in comparison to the existing node-based and edge-based mechanisms.
Generative Modeling of Graphs via Joint Diffusion of Node and Edge Attributes
Graph generation is integral to various engineering and scientific disciplines. Nevertheless, existing methodologies tend to overlook the generation of edge attributes. However, we identify critical applications where edge attributes are essential, making prior methods potentially unsuitable in such contexts. Moreover, while trivial adaptations are available, empirical investigations reveal their limited efficacy as they do not properly model the interplay among graph components. To address this, we propose a joint score-based model of nodes and edges for graph generation that considers all graph components. Our approach offers two key novelties: (i) node and edge attributes are combined in an attention module that generates samples based on the two ingredients; and (ii) node, edge and adjacency information are mutually dependent during the graph diffusion process. We evaluate our method on challenging benchmarks involving real-world and synthetic datasets in which edge features are crucial. Additionally, we introduce a new synthetic dataset that incorporates edge values. Furthermore, we propose a novel application that greatly benefits from the method due to its nature: the generation of traffic scenes represented as graphs. Our method outperforms other graph generation methods, demonstrating a significant advantage in edge-related measures.
StructComp: Substituting propagation with Structural Compression in Training Graph Contrastive Learning
Graph contrastive learning (GCL) has become a powerful tool for learning graph data, but its scalability remains a significant challenge. In this work, we propose a simple yet effective training framework called Structural Compression (StructComp) to address this issue. Inspired by a sparse low-rank approximation on the diffusion matrix, StructComp trains the encoder with the compressed nodes. This allows the encoder not to perform any message passing during the training stage, and significantly reduces the number of sample pairs in the contrastive loss. We theoretically prove that the original GCL loss can be approximated with the contrastive loss computed by StructComp. Moreover, StructComp can be regarded as an additional regularization term for GCL models, resulting in a more robust encoder. Empirical studies on seven benchmark datasets show that StructComp greatly reduces the time and memory consumption while improving model performance compared to the vanilla GCL models and scalable training methods.
Diffusion-based graph generative methods
Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our survey, we systematically and comprehensively review on diffusion-based graph generative methods. We first make a review on three mainstream paradigms of diffusion methods, which are denoising diffusion probabilistic models, score-based genrative models, and stochastic differential equations. Then we further categorize and introduce the latest applications of diffusion models on graphs. In the end, we point out some limitations of current studies and future directions of future explorations. The summary of existing methods metioned in this survey is in https://github.com/zhejiangzhuque/Diffusion-based-Graph-Generative-Methods.
Probabilistically Rewired Message-Passing Neural Networks
Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their local aggregation mechanism can lead to problems such as over-squashing and limited expressive power in capturing relevant graph structures. Existing solutions to these challenges have primarily relied on heuristic methods, often disregarding the underlying data distribution. Hence, devising principled approaches for learning to infer graph structures relevant to the given prediction task remains an open challenge. In this work, leveraging recent progress in exact and differentiable k-subset sampling, we devise probabilistically rewired MPNNs (PR-MPNNs), which learn to add relevant edges while omitting less beneficial ones. For the first time, our theoretical analysis explores how PR-MPNNs enhance expressive power, and we identify precise conditions under which they outperform purely randomized approaches. Empirically, we demonstrate that our approach effectively mitigates issues like over-squashing and under-reaching. In addition, on established real-world datasets, our method exhibits competitive or superior predictive performance compared to traditional MPNN models and recent graph transformer architectures.
XGBoost: A Scalable Tree Boosting System
Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results on many machine learning challenges. We propose a novel sparsity-aware algorithm for sparse data and weighted quantile sketch for approximate tree learning. More importantly, we provide insights on cache access patterns, data compression and sharding to build a scalable tree boosting system. By combining these insights, XGBoost scales beyond billions of examples using far fewer resources than existing systems.
Balancing Act: Constraining Disparate Impact in Sparse Models
Model pruning is a popular approach to enable the deployment of large deep learning models on edge devices with restricted computational or storage capacities. Although sparse models achieve performance comparable to that of their dense counterparts at the level of the entire dataset, they exhibit high accuracy drops for some data sub-groups. Existing methods to mitigate this disparate impact induced by pruning (i) rely on surrogate metrics that address the problem indirectly and have limited interpretability; or (ii) scale poorly with the number of protected sub-groups in terms of computational cost. We propose a constrained optimization approach that directly addresses the disparate impact of pruning: our formulation bounds the accuracy change between the dense and sparse models, for each sub-group. This choice of constraints provides an interpretable success criterion to determine if a pruned model achieves acceptable disparity levels. Experimental results demonstrate that our technique scales reliably to problems involving large models and hundreds of protected sub-groups.
Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNs
Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be SO(3) equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the SO(3) convolutions or tensor products to mathematically equivalent convolutions in SO(2) . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from O(L^6) to O(L^3), where L is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.
Fast Online Node Labeling for Very Large Graphs
This paper studies the online node classification problem under a transductive learning setting. Current methods either invert a graph kernel matrix with O(n^3) runtime and O(n^2) space complexity or sample a large volume of random spanning trees, thus are difficult to scale to large graphs. In this work, we propose an improvement based on the online relaxation technique introduced by a series of works (Rakhlin et al.,2012; Rakhlin and Sridharan, 2015; 2017). We first prove an effective regret O(n^{1+gamma}) when suitable parameterized graph kernels are chosen, then propose an approximate algorithm FastONL enjoying O(kn^{1+gamma}) regret based on this relaxation. The key of FastONL is a generalized local push method that effectively approximates inverse matrix columns and applies to a series of popular kernels. Furthermore, the per-prediction cost is O(vol({S})log 1/epsilon) locally dependent on the graph with linear memory cost. Experiments show that our scalable method enjoys a better tradeoff between local and global consistency.
How many perturbations break this model? Evaluating robustness beyond adversarial accuracy
Robustness to adversarial attack is typically evaluated with adversarial accuracy. This metric quantifies the number of points for which, given a threat model, successful adversarial perturbations cannot be found. While essential, this metric does not capture all aspects of robustness and in particular leaves out the question of how many perturbations can be found for each point. In this work we introduce an alternative approach, adversarial sparsity, which quantifies how difficult it is to find a successful perturbation given both an input point and a constraint on the direction of the perturbation. This constraint may be angular (L2 perturbations), or based on the number of pixels (Linf perturbations). We show that sparsity provides valuable insight on neural networks in multiple ways. analyzing the sparsity of existing robust models illustrates important differences between them that accuracy analysis does not, and suggests approaches for improving their robustness. When applying broken defenses effective against weak attacks but not strong ones, sparsity can discriminate between the totally ineffective and the partially effective defenses. Finally, with sparsity we can measure increases in robustness that do not affect accuracy: we show for example that data augmentation can by itself increase adversarial robustness, without using adversarial training.
Generative Diffusion Models on Graphs: Methods and Applications
Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task on graphs with numerous real-world applications. It aims to learn the distribution of given graphs and then generate new graphs. Given the great success of diffusion models in image generation, increasing efforts have been made to leverage these techniques to advance graph generation in recent years. In this paper, we first provide a comprehensive overview of generative diffusion models on graphs, In particular, we review representative algorithms for three variants of graph diffusion models, i.e., Score Matching with Langevin Dynamics (SMLD), Denoising Diffusion Probabilistic Model (DDPM), and Score-based Generative Model (SGM). Then, we summarize the major applications of generative diffusion models on graphs with a specific focus on molecule and protein modeling. Finally, we discuss promising directions in generative diffusion models on graph-structured data. For this survey, we also created a GitHub project website by collecting the supporting resources for generative diffusion models on graphs, at the link: https://github.com/ChengyiLIU-cs/Generative-Diffusion-Models-on-Graphs
Pruning Deep Neural Networks from a Sparsity Perspective
In recent years, deep network pruning has attracted significant attention in order to enable the rapid deployment of AI into small devices with computation and memory constraints. Pruning is often achieved by dropping redundant weights, neurons, or layers of a deep network while attempting to retain a comparable test performance. Many deep pruning algorithms have been proposed with impressive empirical success. However, existing approaches lack a quantifiable measure to estimate the compressibility of a sub-network during each pruning iteration and thus may under-prune or over-prune the model. In this work, we propose PQ Index (PQI) to measure the potential compressibility of deep neural networks and use this to develop a Sparsity-informed Adaptive Pruning (SAP) algorithm. Our extensive experiments corroborate the hypothesis that for a generic pruning procedure, PQI decreases first when a large model is being effectively regularized and then increases when its compressibility reaches a limit that appears to correspond to the beginning of underfitting. Subsequently, PQI decreases again when the model collapse and significant deterioration in the performance of the model start to occur. Additionally, our experiments demonstrate that the proposed adaptive pruning algorithm with proper choice of hyper-parameters is superior to the iterative pruning algorithms such as the lottery ticket-based pruning methods, in terms of both compression efficiency and robustness.
Pruning Pre-trained Language Models Without Fine-Tuning
To overcome the overparameterized problem in Pre-trained Language Models (PLMs), pruning is widely used as a simple and straightforward compression method by directly removing unimportant weights. Previous first-order methods successfully compress PLMs to extremely high sparsity with little performance drop. These methods, such as movement pruning, use first-order information to prune PLMs while fine-tuning the remaining weights. In this work, we argue fine-tuning is redundant for first-order pruning, since first-order pruning is sufficient to converge PLMs to downstream tasks without fine-tuning. Under this motivation, we propose Static Model Pruning (SMP), which only uses first-order pruning to adapt PLMs to downstream tasks while achieving the target sparsity level. In addition, we also design a new masking function and training objective to further improve SMP. Extensive experiments at various sparsity levels show SMP has significant improvements over first-order and zero-order methods. Unlike previous first-order methods, SMP is also applicable to low sparsity and outperforms zero-order methods. Meanwhile, SMP is more parameter efficient than other methods due to it does not require fine-tuning.
SparseProp: Efficient Sparse Backpropagation for Faster Training of Neural Networks
We provide a new efficient version of the backpropagation algorithm, specialized to the case where the weights of the neural network being trained are sparse. Our algorithm is general, as it applies to arbitrary (unstructured) sparsity and common layer types (e.g., convolutional or linear). We provide a fast vectorized implementation on commodity CPUs, and show that it can yield speedups in end-to-end runtime experiments, both in transfer learning using already-sparsified networks, and in training sparse networks from scratch. Thus, our results provide the first support for sparse training on commodity hardware.
VisDiff: SDF-Guided Polygon Generation for Visibility Reconstruction and Recognition
The capability to learn latent representations plays a key role in the effectiveness of recent machine learning methods. An active frontier in representation learning is understanding representations for combinatorial structures which may not admit well-behaved local neighborhoods or distance functions. For example, for polygons, slightly perturbing vertex locations might lead to significant changes in their combinatorial structure and may even lead to invalid polygons. In this paper, we investigate representations to capture the underlying combinatorial structures of polygons. Specifically, we study the open problem of Visibility Reconstruction: Given a visibility graph G, construct a polygon P whose visibility graph is G. We introduce VisDiff, a novel diffusion-based approach to reconstruct a polygon from its given visibility graph G. Our method first estimates the signed distance function (SDF) of P from G. Afterwards, it extracts ordered vertex locations that have the pairwise visibility relationship given by the edges of G. Our main insight is that going through the SDF significantly improves learning for reconstruction. In order to train VisDiff, we make two main contributions: (1) We design novel loss components for computing the visibility in a differentiable manner and (2) create a carefully curated dataset. We use this dataset to benchmark our method and achieve 21% improvement in F1-Score over standard methods. We also demonstrate effective generalization to out-of-distribution polygon types and show that learning a generative model allows us to sample the set of polygons with a given visibility graph. Finally, we extend our method to the related combinatorial problem of reconstruction from a triangulation. We achieve 95% classification accuracy of triangulation edges and a 4% improvement in Chamfer distance compared to current architectures.
Discrete Latent Graph Generative Modeling with Diffusion Bridges
Learning graph generative models over latent spaces has received less attention compared to models that operate on the original data space and has so far demonstrated lacklustre performance. We present GLAD a latent space graph generative model. Unlike most previous latent space graph generative models, GLAD operates on a discrete latent space that preserves to a significant extent the discrete nature of the graph structures making no unnatural assumptions such as latent space continuity. We learn the prior of our discrete latent space by adapting diffusion bridges to its structure. By operating over an appropriately constructed latent space we avoid relying on decompositions that are often used in models that operate in the original data space. We present experiments on a series of graph benchmark datasets which clearly show the superiority of the discrete latent space and obtain state of the art graph generative performance, making GLAD the first latent space graph generative model with competitive performance. Our source code is published at: https://github.com/v18nguye/GLAD.
Recipe for a General, Powerful, Scalable Graph Transformer
We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of graph representation learning with a variety of recent publications but they lack a common foundation about what constitutes a good positional or structural encoding, and what differentiates them. In this paper, we summarize the different types of encodings with a clearer definition and categorize them as being local, global or relative. The prior GTs are constrained to small graphs with a few hundred nodes, here we propose the first architecture with a complexity linear in the number of nodes and edges O(N+E) by decoupling the local real-edge aggregation from the fully-connected Transformer. We argue that this decoupling does not negatively affect the expressivity, with our architecture being a universal function approximator on graphs. Our GPS recipe consists of choosing 3 main ingredients: (i) positional/structural encoding, (ii) local message-passing mechanism, and (iii) global attention mechanism. We provide a modular framework GraphGPS that supports multiple types of encodings and that provides efficiency and scalability both in small and large graphs. We test our architecture on 16 benchmarks and show highly competitive results in all of them, show-casing the empirical benefits gained by the modularity and the combination of different strategies.
What Do Compressed Deep Neural Networks Forget?
Deep neural network pruning and quantization techniques have demonstrated it is possible to achieve high levels of compression with surprisingly little degradation to test set accuracy. However, this measure of performance conceals significant differences in how different classes and images are impacted by model compression techniques. We find that models with radically different numbers of weights have comparable top-line performance metrics but diverge considerably in behavior on a narrow subset of the dataset. This small subset of data points, which we term Pruning Identified Exemplars (PIEs) are systematically more impacted by the introduction of sparsity. Compression disproportionately impacts model performance on the underrepresented long-tail of the data distribution. PIEs over-index on atypical or noisy images that are far more challenging for both humans and algorithms to classify. Our work provides intuition into the role of capacity in deep neural networks and the trade-offs incurred by compression. An understanding of this disparate impact is critical given the widespread deployment of compressed models in the wild.
A Graph is Worth K Words: Euclideanizing Graph using Pure Transformer
Can we model non-Euclidean graphs as pure language or even Euclidean vectors while retaining their inherent information? The non-Euclidean property have posed a long term challenge in graph modeling. Despite recent GNN and Graphformer efforts encoding graphs as Euclidean vectors, recovering original graph from the vectors remains a challenge. We introduce GraphsGPT, featuring a Graph2Seq encoder that transforms non-Euclidean graphs into learnable graph words in a Euclidean space, along with a GraphGPT decoder that reconstructs the original graph from graph words to ensure information equivalence. We pretrain GraphsGPT on 100M molecules and yield some interesting findings: (1) Pretrained Graph2Seq excels in graph representation learning, achieving state-of-the-art results on 8/9 graph classification and regression tasks. (2) Pretrained GraphGPT serves as a strong graph generator, demonstrated by its ability to perform both unconditional and conditional graph generation. (3) Graph2Seq+GraphGPT enables effective graph mixup in the Euclidean space, overcoming previously known non-Euclidean challenge. (4) Our proposed novel edge-centric GPT pretraining task is effective in graph fields, underscoring its success in both representation and generation.
Nerva: a Truly Sparse Implementation of Neural Networks
We introduce Nerva, a fast neural network library under development in C++. It supports sparsity by using the sparse matrix operations of Intel's Math Kernel Library (MKL), which eliminates the need for binary masks. We show that Nerva significantly decreases training time and memory usage while reaching equivalent accuracy to PyTorch. We run static sparse experiments with an MLP on CIFAR-10. On high sparsity levels like 99%, the runtime is reduced by a factor of 4times compared to a PyTorch model using masks. Similar to other popular frameworks such as PyTorch and Keras, Nerva offers a Python interface for users to work with.
MonoNeRD: NeRF-like Representations for Monocular 3D Object Detection
In the field of monocular 3D detection, it is common practice to utilize scene geometric clues to enhance the detector's performance. However, many existing works adopt these clues explicitly such as estimating a depth map and back-projecting it into 3D space. This explicit methodology induces sparsity in 3D representations due to the increased dimensionality from 2D to 3D, and leads to substantial information loss, especially for distant and occluded objects. To alleviate this issue, we propose MonoNeRD, a novel detection framework that can infer dense 3D geometry and occupancy. Specifically, we model scenes with Signed Distance Functions (SDF), facilitating the production of dense 3D representations. We treat these representations as Neural Radiance Fields (NeRF) and then employ volume rendering to recover RGB images and depth maps. To the best of our knowledge, this work is the first to introduce volume rendering for M3D, and demonstrates the potential of implicit reconstruction for image-based 3D perception. Extensive experiments conducted on the KITTI-3D benchmark and Waymo Open Dataset demonstrate the effectiveness of MonoNeRD. Codes are available at https://github.com/cskkxjk/MonoNeRD.
Leveraging Graph Diffusion Models for Network Refinement Tasks
Most real-world networks are noisy and incomplete samples from an unknown target distribution. Refining them by correcting corruptions or inferring unobserved regions typically improves downstream performance. Inspired by the impressive generative capabilities that have been used to correct corruptions in images, and the similarities between "in-painting" and filling in missing nodes and edges conditioned on the observed graph, we propose a novel graph generative framework, SGDM, which is based on subgraph diffusion. Our framework not only improves the scalability and fidelity of graph diffusion models, but also leverages the reverse process to perform novel, conditional generation tasks. In particular, through extensive empirical analysis and a set of novel metrics, we demonstrate that our proposed model effectively supports the following refinement tasks for partially observable networks: T1: denoising extraneous subgraphs, T2: expanding existing subgraphs and T3: performing "style" transfer by regenerating a particular subgraph to match the characteristics of a different node or subgraph.
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations
Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.
Dimensionality Reduced Training by Pruning and Freezing Parts of a Deep Neural Network, a Survey
State-of-the-art deep learning models have a parameter count that reaches into the billions. Training, storing and transferring such models is energy and time consuming, thus costly. A big part of these costs is caused by training the network. Model compression lowers storage and transfer costs, and can further make training more efficient by decreasing the number of computations in the forward and/or backward pass. Thus, compressing networks also at training time while maintaining a high performance is an important research topic. This work is a survey on methods which reduce the number of trained weights in deep learning models throughout the training. Most of the introduced methods set network parameters to zero which is called pruning. The presented pruning approaches are categorized into pruning at initialization, lottery tickets and dynamic sparse training. Moreover, we discuss methods that freeze parts of a network at its random initialization. By freezing weights, the number of trainable parameters is shrunken which reduces gradient computations and the dimensionality of the model's optimization space. In this survey we first propose dimensionality reduced training as an underlying mathematical model that covers pruning and freezing during training. Afterwards, we present and discuss different dimensionality reduced training methods.
Label Propagation for Zero-shot Classification with Vision-Language Models
Vision-Language Models (VLMs) have demonstrated impressive performance on zero-shot classification, i.e. classification when provided merely with a list of class names. In this paper, we tackle the case of zero-shot classification in the presence of unlabeled data. We leverage the graph structure of the unlabeled data and introduce ZLaP, a method based on label propagation (LP) that utilizes geodesic distances for classification. We tailor LP to graphs containing both text and image features and further propose an efficient method for performing inductive inference based on a dual solution and a sparsification step. We perform extensive experiments to evaluate the effectiveness of our method on 14 common datasets and show that ZLaP outperforms the latest related works. Code: https://github.com/vladan-stojnic/ZLaP
FreezeNet: Full Performance by Reduced Storage Costs
Pruning generates sparse networks by setting parameters to zero. In this work we improve one-shot pruning methods, applied before training, without adding any additional storage costs while preserving the sparse gradient computations. The main difference to pruning is that we do not sparsify the network's weights but learn just a few key parameters and keep the other ones fixed at their random initialized value. This mechanism is called freezing the parameters. Those frozen weights can be stored efficiently with a single 32bit random seed number. The parameters to be frozen are determined one-shot by a single for- and backward pass applied before training starts. We call the introduced method FreezeNet. In our experiments we show that FreezeNets achieve good results, especially for extreme freezing rates. Freezing weights preserves the gradient flow throughout the network and consequently, FreezeNets train better and have an increased capacity compared to their pruned counterparts. On the classification tasks MNIST and CIFAR-10/100 we outperform SNIP, in this setting the best reported one-shot pruning method, applied before training. On MNIST, FreezeNet achieves 99.2% performance of the baseline LeNet-5-Caffe architecture, while compressing the number of trained and stored parameters by a factor of x 157.
The Emergence of Essential Sparsity in Large Pre-trained Models: The Weights that Matter
Large pre-trained transformers are show-stealer in modern-day deep learning, and it becomes crucial to comprehend the parsimonious patterns that exist within them as they grow in scale. With exploding parameter counts, Lottery Ticket Hypothesis (LTH) and its variants, have lost their pragmatism in sparsifying them due to high computation and memory bottleneck of repetitive train-prune-retrain routine of iterative magnitude pruning (IMP) which worsens with increasing model size. This paper comprehensively studies induced sparse patterns across multiple large pre-trained vision and language transformers. We propose the existence of -- essential sparsity defined with a sharp dropping point beyond which the performance declines much faster w.r.t the rise of sparsity level, when we directly remove weights with the smallest magnitudes in one-shot without re-training. We also find essential sparsity to hold valid for N:M sparsity patterns as well as on modern-scale large language models (Vicuna-7B). We also present an intriguing emerging phenomenon of abrupt sparsification during the pre-training of BERT, i.e., BERT suddenly becomes heavily sparse in pre-training after certain iterations. Moreover, our observations also indicate a counter-intuitive finding that BERT trained with a larger amount of pre-training data tends to have a better ability to condense knowledge in comparatively relatively fewer parameters. Lastly, we investigate the effect of the pre-training loss on essential sparsity and discover that self-supervised learning (SSL) objectives trigger stronger emergent sparsification properties than supervised learning (SL). Our codes are available at https://github.com/VITA-Group/essential_sparsity.
Graph Representation Learning with Diffusion Generative Models
Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional generative approaches such as VAEs and GANs, diffusion models employ a progressive denoising process that transforms noise into meaningful data over multiple iterative steps. This gradual approach enhances their expressiveness and generation quality. Not only that, diffusion models have also been shown to extract meaningful representations from data while learning to generate samples. Despite their success, the application of diffusion models to graph-structured data remains relatively unexplored, primarily due to the discrete nature of graphs, which necessitates discrete diffusion processes distinct from the continuous methods used in other domains. In this work, we leverage the representational capabilities of diffusion models to learn meaningful embeddings for graph data. By training a discrete diffusion model within an autoencoder framework, we enable both effective autoencoding and representation learning tailored to the unique characteristics of graph-structured data. We only need the encoder at the end to extract representations. Our approach demonstrates the potential of discrete diffusion models to be used for graph representation learning.
Efficient Localized Inference for Large Graphical Models
We propose a new localized inference algorithm for answering marginalization queries in large graphical models with the correlation decay property. Given a query variable and a large graphical model, we define a much smaller model in a local region around the query variable in the target model so that the marginal distribution of the query variable can be accurately approximated. We introduce two approximation error bounds based on the Dobrushin's comparison theorem and apply our bounds to derive a greedy expansion algorithm that efficiently guides the selection of neighbor nodes for localized inference. We verify our theoretical bounds on various datasets and demonstrate that our localized inference algorithm can provide fast and accurate approximation for large graphical models.
Dynamic Sparse Learning: A Novel Paradigm for Efficient Recommendation
In the realm of deep learning-based recommendation systems, the increasing computational demands, driven by the growing number of users and items, pose a significant challenge to practical deployment. This challenge is primarily twofold: reducing the model size while effectively learning user and item representations for efficient recommendations. Despite considerable advancements in model compression and architecture search, prevalent approaches face notable constraints. These include substantial additional computational costs from pre-training/re-training in model compression and an extensive search space in architecture design. Additionally, managing complexity and adhering to memory constraints is problematic, especially in scenarios with strict time or space limitations. Addressing these issues, this paper introduces a novel learning paradigm, Dynamic Sparse Learning (DSL), tailored for recommendation models. DSL innovatively trains a lightweight sparse model from scratch, periodically evaluating and dynamically adjusting each weight's significance and the model's sparsity distribution during the training. This approach ensures a consistent and minimal parameter budget throughout the full learning lifecycle, paving the way for "end-to-end" efficiency from training to inference. Our extensive experimental results underline DSL's effectiveness, significantly reducing training and inference costs while delivering comparable recommendation performance.
Fast Sparse ConvNets
Historically, the pursuit of efficient inference has been one of the driving forces behind research into new deep learning architectures and building blocks. Some recent examples include: the squeeze-and-excitation module, depthwise separable convolutions in Xception, and the inverted bottleneck in MobileNet v2. Notably, in all of these cases, the resulting building blocks enabled not only higher efficiency, but also higher accuracy, and found wide adoption in the field. In this work, we further expand the arsenal of efficient building blocks for neural network architectures; but instead of combining standard primitives (such as convolution), we advocate for the replacement of these dense primitives with their sparse counterparts. While the idea of using sparsity to decrease the parameter count is not new, the conventional wisdom is that this reduction in theoretical FLOPs does not translate into real-world efficiency gains. We aim to correct this misconception by introducing a family of efficient sparse kernels for ARM and WebAssembly, which we open-source for the benefit of the community as part of the XNNPACK library. Equipped with our efficient implementation of sparse primitives, we show that sparse versions of MobileNet v1, MobileNet v2 and EfficientNet architectures substantially outperform strong dense baselines on the efficiency-accuracy curve. On Snapdragon 835 our sparse networks outperform their dense equivalents by 1.3-2.4times -- equivalent to approximately one entire generation of MobileNet-family improvement. We hope that our findings will facilitate wider adoption of sparsity as a tool for creating efficient and accurate deep learning architectures.
Neuron-based Pruning of Deep Neural Networks with Better Generalization using Kronecker Factored Curvature Approximation
Existing methods of pruning deep neural networks focus on removing unnecessary parameters of the trained network and fine tuning the model afterwards to find a good solution that recovers the initial performance of the trained model. Unlike other works, our method pays special attention to the quality of the solution in the compressed model and inference computation time by pruning neurons. The proposed algorithm directs the parameters of the compressed model toward a flatter solution by exploring the spectral radius of Hessian which results in better generalization on unseen data. Moreover, the method does not work with a pre-trained network and performs training and pruning simultaneously. Our result shows that it improves the state-of-the-art results on neuron compression. The method is able to achieve very small networks with small accuracy degradation across different neural network models.
Variationally Regularized Graph-based Representation Learning for Electronic Health Records
Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when only a subset of these variables is documented by the clinician. A feasible approach to improving the representation learning of EHR data is to associate relevant medical concepts and utilize these connections. Existing medical ontologies can be the reference for EHR structures, but they place numerous constraints on the data source. Recent progress on graph neural networks (GNN) enables end-to-end learning of topological structures for non-grid or non-sequential data. However, there are problems to be addressed on how to learn the medical graph adaptively and how to understand the effect of the medical graph on representation learning. In this paper, we propose a variationally regularized encoder-decoder graph network that achieves more robustness in graph structure learning by regularizing node representations. Our model outperforms the existing graph and non-graph based methods in various EHR predictive tasks based on both public data and real-world clinical data. Besides the improvements in empirical experiment performances, we provide an interpretation of the effect of variational regularization compared to standard graph neural network, using singular value analysis.
New metrics and search algorithms for weighted causal DAGs
Recovering causal relationships from data is an important problem. Using observational data, one can typically only recover causal graphs up to a Markov equivalence class and additional assumptions or interventional data are needed for complete recovery. In this work, under some standard assumptions, we study causal graph discovery via adaptive interventions with node-dependent interventional costs. For this setting, we show that no algorithm can achieve an approximation guarantee that is asymptotically better than linear in the number of vertices with respect to the verification number; a well-established benchmark for adaptive search algorithms. Motivated by this negative result, we define a new benchmark that captures the worst-case interventional cost for any search algorithm. Furthermore, with respect to this new benchmark, we provide adaptive search algorithms that achieve logarithmic approximations under various settings: atomic, bounded size interventions and generalized cost objectives.
Exploring ell_0 Sparsification for Inference-free Sparse Retrievers
With increasing demands for efficiency, information retrieval has developed a branch of sparse retrieval, further advancing towards inference-free retrieval where the documents are encoded during indexing time and there is no model-inference for queries. Existing sparse retrieval models rely on FLOPS regularization for sparsification, while this mechanism was originally designed for Siamese encoders, it is considered to be suboptimal in inference-free scenarios which is asymmetric. Previous attempts to adapt FLOPS for inference-free scenarios have been limited to rule-based methods, leaving the potential of sparsification approaches for inference-free retrieval models largely unexplored. In this paper, we explore ell_0 inspired sparsification manner for inference-free retrievers. Through comprehensive out-of-domain evaluation on the BEIR benchmark, our method achieves state-of-the-art performance among inference-free sparse retrieval models and is comparable to leading Siamese sparse retrieval models. Furthermore, we provide insights into the trade-off between retrieval effectiveness and computational efficiency, demonstrating practical value for real-world applications.
HOT: Higher-Order Dynamic Graph Representation Learning with Efficient Transformers
Many graph representation learning (GRL) problems are dynamic, with millions of edges added or removed per second. A fundamental workload in this setting is dynamic link prediction: using a history of graph updates to predict whether a given pair of vertices will become connected. Recent schemes for link prediction in such dynamic settings employ Transformers, modeling individual graph updates as single tokens. In this work, we propose HOT: a model that enhances this line of works by harnessing higher-order (HO) graph structures; specifically, k-hop neighbors and more general subgraphs containing a given pair of vertices. Harnessing such HO structures by encoding them into the attention matrix of the underlying Transformer results in higher accuracy of link prediction outcomes, but at the expense of increased memory pressure. To alleviate this, we resort to a recent class of schemes that impose hierarchy on the attention matrix, significantly reducing memory footprint. The final design offers a sweetspot between high accuracy and low memory utilization. HOT outperforms other dynamic GRL schemes, for example achieving 9%, 7%, and 15% higher accuracy than - respectively - DyGFormer, TGN, and GraphMixer, for the MOOC dataset. Our design can be seamlessly extended towards other dynamic GRL workloads.
Features that Make a Difference: Leveraging Gradients for Improved Dictionary Learning
Sparse Autoencoders (SAEs) are a promising approach for extracting neural network representations by learning a sparse and overcomplete decomposition of the network's internal activations. However, SAEs are traditionally trained considering only activation values and not the effect those activations have on downstream computations. This limits the information available to learn features, and biases the autoencoder towards neglecting features which are represented with small activation values but strongly influence model outputs. To address this, we introduce Gradient SAEs (g-SAEs), which modify the k-sparse autoencoder architecture by augmenting the TopK activation function to rely on the gradients of the input activation when selecting the k elements. For a given sparsity level, g-SAEs produce reconstructions that are more faithful to original network performance when propagated through the network. Additionally, we find evidence that g-SAEs learn latents that are on average more effective at steering models in arbitrary contexts. By considering the downstream effects of activations, our approach leverages the dual nature of neural network features as both representations, retrospectively, and actions, prospectively. While previous methods have approached the problem of feature discovery primarily focused on the former aspect, g-SAEs represent a step towards accounting for the latter as well.
LINE: Large-scale Information Network Embedding
This paper studies the problem of embedding very large information networks into low-dimensional vector spaces, which is useful in many tasks such as visualization, node classification, and link prediction. Most existing graph embedding methods do not scale for real world information networks which usually contain millions of nodes. In this paper, we propose a novel network embedding method called the "LINE," which is suitable for arbitrary types of information networks: undirected, directed, and/or weighted. The method optimizes a carefully designed objective function that preserves both the local and global network structures. An edge-sampling algorithm is proposed that addresses the limitation of the classical stochastic gradient descent and improves both the effectiveness and the efficiency of the inference. Empirical experiments prove the effectiveness of the LINE on a variety of real-world information networks, including language networks, social networks, and citation networks. The algorithm is very efficient, which is able to learn the embedding of a network with millions of vertices and billions of edges in a few hours on a typical single machine. The source code of the LINE is available online.
Learning a Consensus Sub-Network with Polarization Regularization and One Pass Training
The subject of green AI has been gaining attention within the deep learning community given the recent trend of ever larger and more complex neural network models. Existing solutions for reducing the computational load of training at inference time usually involve pruning the network parameters. Pruning schemes often create extra overhead either by iterative training and fine-tuning for static pruning or repeated computation of a dynamic pruning graph. We propose a new parameter pruning strategy for learning a lighter-weight sub-network that minimizes the energy cost while maintaining comparable performance to the fully parameterised network on given downstream tasks. Our proposed pruning scheme is green-oriented, as it only requires a one-off training to discover the optimal static sub-networks by dynamic pruning methods. The pruning scheme consists of a binary gating module and a novel loss function to uncover sub-networks with user-defined sparsity. Our method enables pruning and training simultaneously, which saves energy in both the training and inference phases and avoids extra computational overhead from gating modules at inference time. Our results on CIFAR-10 and CIFAR-100 suggest that our scheme can remove 50% of connections in deep networks with less than 1% reduction in classification accuracy. Compared to other related pruning methods, our method demonstrates a lower drop in accuracy for equivalent reductions in computational cost.
OFFER: A Motif Dimensional Framework for Network Representation Learning
Aiming at better representing multivariate relationships, this paper investigates a motif dimensional framework for higher-order graph learning. The graph learning effectiveness can be improved through OFFER. The proposed framework mainly aims at accelerating and improving higher-order graph learning results. We apply the acceleration procedure from the dimensional of network motifs. Specifically, the refined degree for nodes and edges are conducted in two stages: (1) employ motif degree of nodes to refine the adjacency matrix of the network; and (2) employ motif degree of edges to refine the transition probability matrix in the learning process. In order to assess the efficiency of the proposed framework, four popular network representation algorithms are modified and examined. By evaluating the performance of OFFER, both link prediction results and clustering results demonstrate that the graph representation learning algorithms enhanced with OFFER consistently outperform the original algorithms with higher efficiency.
Decoupling the Depth and Scope of Graph Neural Networks
State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond just a few layers, two fundamental challenges emerge: 1. degraded expressivity due to oversmoothing, and 2. expensive computation due to neighborhood explosion. We propose a design principle to decouple the depth and scope of GNNs -- to generate representation of a target entity (i.e., a node or an edge), we first extract a localized subgraph as the bounded-size scope, and then apply a GNN of arbitrary depth on top of the subgraph. A properly extracted subgraph consists of a small number of critical neighbors, while excluding irrelevant ones. The GNN, no matter how deep it is, smooths the local neighborhood into informative representation rather than oversmoothing the global graph into "white noise". Theoretically, decoupling improves the GNN expressive power from the perspectives of graph signal processing (GCN), function approximation (GraphSAGE) and topological learning (GIN). Empirically, on seven graphs (with up to 110M nodes) and six backbone GNN architectures, our design achieves significant accuracy improvement with orders of magnitude reduction in computation and hardware cost.
Graph Mamba: Towards Learning on Graphs with State Space Models
Graph Neural Networks (GNNs) have shown promising potential in graph representation learning. The majority of GNNs define a local message-passing mechanism, propagating information over the graph by stacking multiple layers. These methods, however, are known to suffer from two major limitations: over-squashing and poor capturing of long-range dependencies. Recently, Graph Transformers (GTs) emerged as a powerful alternative to Message-Passing Neural Networks (MPNNs). GTs, however, have quadratic computational cost, lack inductive biases on graph structures, and rely on complex Positional/Structural Encodings (SE/PE). In this paper, we show that while Transformers, complex message-passing, and SE/PE are sufficient for good performance in practice, neither is necessary. Motivated by the recent success of State Space Models (SSMs), such as Mamba, we present Graph Mamba Networks (GMNs), a general framework for a new class of GNNs based on selective SSMs. We discuss and categorize the new challenges when adopting SSMs to graph-structured data, and present four required and one optional steps to design GMNs, where we choose (1) Neighborhood Tokenization, (2) Token Ordering, (3) Architecture of Bidirectional Selective SSM Encoder, (4) Local Encoding, and dispensable (5) PE and SE. We further provide theoretical justification for the power of GMNs. Experiments demonstrate that despite much less computational cost, GMNs attain an outstanding performance in long-range, small-scale, large-scale, and heterophilic benchmark datasets.
Benchmarking Positional Encodings for GNNs and Graph Transformers
Recent advances in Graph Neural Networks (GNNs) and Graph Transformers (GTs) have been driven by innovations in architectures and Positional Encodings (PEs), which are critical for augmenting node features and capturing graph topology. PEs are essential for GTs, where topological information would otherwise be lost without message-passing. However, PEs are often tested alongside novel architectures, making it difficult to isolate their effect on established models. To address this, we present a comprehensive benchmark of PEs in a unified framework that includes both message-passing GNNs and GTs. We also establish theoretical connections between MPNNs and GTs and introduce a sparsified GRIT attention mechanism to examine the influence of global connectivity. Our findings demonstrate that previously untested combinations of GNN architectures and PEs can outperform existing methods and offer a more comprehensive picture of the state-of-the-art. To support future research and experimentation in our framework, we make the code publicly available.
APP: Anytime Progressive Pruning
With the latest advances in deep learning, there has been a lot of focus on the online learning paradigm due to its relevance in practical settings. Although many methods have been investigated for optimal learning settings in scenarios where the data stream is continuous over time, sparse networks training in such settings have often been overlooked. In this paper, we explore the problem of training a neural network with a target sparsity in a particular case of online learning: the anytime learning at macroscale paradigm (ALMA). We propose a novel way of progressive pruning, referred to as Anytime Progressive Pruning (APP); the proposed approach significantly outperforms the baseline dense and Anytime OSP models across multiple architectures and datasets under short, moderate, and long-sequence training. Our method, for example, shows an improvement in accuracy of approx 7% and a reduction in the generalization gap by approx 22%, while being approx 1/3 rd the size of the dense baseline model in few-shot restricted imagenet training. We further observe interesting nonmonotonic transitions in the generalization gap in the high number of megabatches-based ALMA. The code and experiment dashboards can be accessed at https://github.com/landskape-ai/Progressive-Pruning and https://wandb.ai/landskape/APP, respectively.
Learning Pruned Structure and Weights Simultaneously from Scratch: an Attention based Approach
As a deep learning model typically contains millions of trainable weights, there has been a growing demand for a more efficient network structure with reduced storage space and improved run-time efficiency. Pruning is one of the most popular network compression techniques. In this paper, we propose a novel unstructured pruning pipeline, Attention-based Simultaneous sparse structure and Weight Learning (ASWL). Unlike traditional channel-wise or weight-wise attention mechanism, ASWL proposed an efficient algorithm to calculate the pruning ratio through layer-wise attention for each layer, and both weights for the dense network and the sparse network are tracked so that the pruned structure is simultaneously learned from randomly initialized weights. Our experiments on MNIST, Cifar10, and ImageNet show that ASWL achieves superior pruning results in terms of accuracy, pruning ratio and operating efficiency when compared with state-of-the-art network pruning methods.
Learning Mean Field Games on Sparse Graphs: A Hybrid Graphex Approach
Learning the behavior of large agent populations is an important task for numerous research areas. Although the field of multi-agent reinforcement learning (MARL) has made significant progress towards solving these systems, solutions for many agents often remain computationally infeasible and lack theoretical guarantees. Mean Field Games (MFGs) address both of these issues and can be extended to Graphon MFGs (GMFGs) to include network structures between agents. Despite their merits, the real world applicability of GMFGs is limited by the fact that graphons only capture dense graphs. Since most empirically observed networks show some degree of sparsity, such as power law graphs, the GMFG framework is insufficient for capturing these network topologies. Thus, we introduce the novel concept of Graphex MFGs (GXMFGs) which builds on the graph theoretical concept of graphexes. Graphexes are the limiting objects to sparse graph sequences that also have other desirable features such as the small world property. Learning equilibria in these games is challenging due to the rich and sparse structure of the underlying graphs. To tackle these challenges, we design a new learning algorithm tailored to the GXMFG setup. This hybrid graphex learning approach leverages that the system mainly consists of a highly connected core and a sparse periphery. After defining the system and providing a theoretical analysis, we state our learning approach and demonstrate its learning capabilities on both synthetic graphs and real-world networks. This comparison shows that our GXMFG learning algorithm successfully extends MFGs to a highly relevant class of hard, realistic learning problems that are not accurately addressed by current MARL and MFG methods.
Preference and Concurrence Aware Bayesian Graph Neural Networks for Recommender Systems
Graph-based collaborative filtering methods have prevailing performance for recommender systems since they can capture high-order information between users and items, in which the graphs are constructed from the observed user-item interactions that might miss links or contain spurious positive interactions in industrial scenarios. The Bayesian Graph Neural Network framework approaches this issue with generative models for the interaction graphs. The critical problem is to devise a proper family of graph generative models tailored to recommender systems. We propose an efficient generative model that jointly considers the preferences of users, the concurrence of items and some important graph structure information. Experiments on four popular benchmark datasets demonstrate the effectiveness of our proposed graph generative methods for recommender systems.
LM-Gaussian: Boost Sparse-view 3D Gaussian Splatting with Large Model Priors
We aim to address sparse-view reconstruction of a 3D scene by leveraging priors from large-scale vision models. While recent advancements such as 3D Gaussian Splatting (3DGS) have demonstrated remarkable successes in 3D reconstruction, these methods typically necessitate hundreds of input images that densely capture the underlying scene, making them time-consuming and impractical for real-world applications. However, sparse-view reconstruction is inherently ill-posed and under-constrained, often resulting in inferior and incomplete outcomes. This is due to issues such as failed initialization, overfitting on input images, and a lack of details. To mitigate these challenges, we introduce LM-Gaussian, a method capable of generating high-quality reconstructions from a limited number of images. Specifically, we propose a robust initialization module that leverages stereo priors to aid in the recovery of camera poses and the reliable point clouds. Additionally, a diffusion-based refinement is iteratively applied to incorporate image diffusion priors into the Gaussian optimization process to preserve intricate scene details. Finally, we utilize video diffusion priors to further enhance the rendered images for realistic visual effects. Overall, our approach significantly reduces the data acquisition requirements compared to previous 3DGS methods. We validate the effectiveness of our framework through experiments on various public datasets, demonstrating its potential for high-quality 360-degree scene reconstruction. Visual results are on our website.
Graph Generative Pre-trained Transformer
Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternative approach that represents graphs as sequences of node set and edge set. We advocate for this approach due to its efficient encoding of graphs and propose a novel representation. Based on this representation, we introduce the Graph Generative Pre-trained Transformer (G2PT), an auto-regressive model that learns graph structures via next-token prediction. To further exploit G2PT's capabilities as a general-purpose foundation model, we explore fine-tuning strategies for two downstream applications: goal-oriented generation and graph property prediction. We conduct extensive experiments across multiple datasets. Results indicate that G2PT achieves superior generative performance on both generic graph and molecule datasets. Furthermore, G2PT exhibits strong adaptability and versatility in downstream tasks from molecular design to property prediction.
Maestro: Uncovering Low-Rank Structures via Trainable Decomposition
Deep Neural Networks (DNNs) have been a large driver and enabler for AI breakthroughs in recent years. These models have been getting larger in their attempt to become more accurate and tackle new upcoming use-cases, including AR/VR and intelligent assistants. However, the training process of such large models is a costly and time-consuming process, which typically yields a single model to fit all targets. To mitigate this, various techniques have been proposed in the literature, including pruning, sparsification or quantization of the model weights and updates. While able to achieve high compression rates, they often incur computational overheads or accuracy penalties. Alternatively, factorization methods have been leveraged to incorporate low-rank compression in the training process. Similarly, such techniques (e.g.,~SVD) frequently rely on the computationally expensive decomposition of layers and are potentially sub-optimal for non-linear models, such as DNNs. In this work, we take a further step in designing efficient low-rank models and propose Maestro, a framework for trainable low-rank layers. Instead of regularly applying a priori decompositions such as SVD, the low-rank structure is built into the training process through a generalized variant of Ordered Dropout. This method imposes an importance ordering via sampling on the decomposed DNN structure. Our theoretical analysis demonstrates that our method recovers the SVD decomposition of linear mapping on uniformly distributed data and PCA for linear autoencoders. We further apply our technique on DNNs and empirically illustrate that Maestro enables the extraction of lower footprint models that preserve model performance while allowing for graceful accuracy-latency tradeoff for the deployment to devices of different capabilities.
Is Complexity Required for Neural Network Pruning? A Case Study on Global Magnitude Pruning
Pruning neural networks has become popular in the last decade when it was shown that a large number of weights can be safely removed from modern neural networks without compromising accuracy. Numerous pruning methods have been proposed since then, each claiming to be better than the previous. Many state-of-the-art (SOTA) techniques today rely on complex pruning methodologies utilizing importance scores, getting feedback through back-propagation or having heuristics-based pruning rules amongst others. In this work, we question whether this pattern of introducing complexity is really necessary to achieve better pruning results. We benchmark these SOTA techniques against a naive pruning baseline, namely, Global Magnitude Pruning (Global MP). Global MP ranks weights in order of their magnitudes and prunes the smallest ones. Hence, in its vanilla form, it is one of the simplest pruning techniques. Surprisingly, we find that vanilla Global MP outperforms all the other SOTA techniques and achieves a new SOTA result. It also achieves promising performance on FLOPs sparsification, which we find is enhanced, when pruning is conducted in a gradual fashion. We also find that Global MP is generalizable across tasks, datasets, and models with superior performance. Moreover, a common issue that many pruning algorithms run into at high sparsity rates, namely, layer-collapse, can be easily fixed in Global MP by setting a minimum threshold of weights to be retained in each layer. Lastly, unlike many other SOTA techniques, Global MP does not require any additional algorithm specific hyper-parameters and is very straightforward to tune and implement. We showcase our findings on various models (WRN-28-8, ResNet-32, ResNet-50, MobileNet-V1 and FastGRNN) and multiple datasets (CIFAR-10, ImageNet and HAR-2). Code is available at https://github.com/manasgupta-1/GlobalMP.
Efficient Maximum Fair Clique Search over Large Networks
Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.
HUNYUANPROVER: A Scalable Data Synthesis Framework and Guided Tree Search for Automated Theorem Proving
We introduce HunyuanProver, an language model finetuned from the Hunyuan 7B for interactive automatic theorem proving with LEAN4. To alleviate the data sparsity issue, we design a scalable framework to iterative synthesize data with low cost. Besides, guided tree search algorithms are designed to enable effective ``system 2 thinking`` of the prover. HunyuanProver achieves state-of-the-art (SOTA) performances on major benchmarks. Specifically, it achieves a pass of 68.4% on the miniF2F-test compared to 65.9%, the current SOTA results. It proves 4 IMO statements (imo_1960_p2, imo_1962_p2}, imo_1964_p2 and imo_1983_p6) in miniF2F-test. To benefit the community, we will open-source a dataset of 30k synthesized instances, where each instance contains the original question in natural language, the converted statement by autoformalization, and the proof by HunyuanProver.
Graph Neural Networks with Learnable and Optimal Polynomial Bases
Polynomial filters, a kind of Graph Neural Networks, typically use a predetermined polynomial basis and learn the coefficients from the training data. It has been observed that the effectiveness of the model is highly dependent on the property of the polynomial basis. Consequently, two natural and fundamental questions arise: Can we learn a suitable polynomial basis from the training data? Can we determine the optimal polynomial basis for a given graph and node features? In this paper, we propose two spectral GNN models that provide positive answers to the questions posed above. First, inspired by Favard's Theorem, we propose the FavardGNN model, which learns a polynomial basis from the space of all possible orthonormal bases. Second, we examine the supposedly unsolvable definition of optimal polynomial basis from Wang & Zhang (2022) and propose a simple model, OptBasisGNN, which computes the optimal basis for a given graph structure and graph signal. Extensive experiments are conducted to demonstrate the effectiveness of our proposed models.