Graph Comparative Learning (GCL) is a self-supervised method that combines the advantages of Graph Convolutional Networks (GCNs) and comparative learning, making it promising for learning node representations. However, the GCN encoders used in these methods rely on the Fourier transform to learn fixed graph representations, which is inherently limited by the uncertainty principle involving spatial and spectral localization trade-offs. To overcome the inflexibility of existing methods and the computationally expensive eigen-decomposition and dense matrix multiplication, this paper proposes an Adaptive Spectral Wavelet Transform-based Self-Supervised Graph Neural Network (ASWT-SGNN). The proposed method employs spectral adaptive polynomials to approximate the filter function and optimize the wavelet using contrast loss. This design enables the creation of local filters in both spectral and spatial domains, allowing flexible aggregation of neighborhood information at various scales and facilitating controlled transformation between local and global information. Compared to existing methods, the proposed approach reduces computational complexity and addresses the limitation of graph convolutional neural networks, which are constrained by graph size and lack flexible control over the neighborhood aspect. Extensive experiments on eight benchmark datasets demonstrate that ASWT-SGNN accurately approximates the filter function in high-density spectral regions, avoiding costly eigen-decomposition. Furthermore, ASWT-SGNN achieves comparable performance to state-of-the-art models in node classification tasks.
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In recent years, Hypergraph Neural Networks (HGNNs) have achieved considerable success by manually designing architectures, which are capable of extracting effective patterns with high-order interactions from non-Euclidean data. However, such mechanism is extremely inefficient, demanding tremendous human efforts to tune diverse model parameters. In this paper, we propose a novel Hypergraph Neural Architecture Search (HyperNAS) to automatically design the optimal HGNNs. The proposed model constructs a search space suitable for hypergraphs, and derives hypergraph architectures through differentiable search strategies. A hypergraph structure-aware distance criterion is introduced as a guideline for obtaining an optimal hypergraph architecture via the leave-one-out method. Experimental results for node classification on benchmark Cora, Citeseer, Pubmed citation networks and hypergraph datasets show that HyperNAS outperforms existing HGNNs models and graph NAS methods.
Deep learning methods on graph data have achieved remarkable efficacy across a variety of real-world applications, such as social network analysis and transaction risk detection. Nevertheless, recent studies have illuminated a concerning fact: even the most expressive Graph Neural Networks (GNNs) are vulnerable to graph adversarial attacks. While several methods have been proposed to enhance the robustness of GNN models against adversarial attacks, few have focused on a simple yet realistic approach: valuing the adversarial risks and focused safeguards at the node level. This empowers defenders to allocate heightened security level to vulnerable nodes, while lower to robust nodes. With this new perspective, we propose a novel graph defense strategy RisKeeper, such that the adversarial risk can be directly kept in the input graph. We start at valuing the adversarial risk, by introducing a cost-aware projected gradient descent attack that takes into account both cost avoidance and compliance with costs budgets. Subsequently, we present a learnable approach to ascertain the ideal security level for each individual node by solving a bi-level optimization problem. Through extensive experiments on four real-world datasets, we demonstrate that our method achieves superior performance surpassing state-of-the-art methods. Our in-depth case studies provide further insights into vulnerable and robust structural patterns, serving as inspiration for practitioners to exercise heightened vigilance.
Despite Graph neural networks' significant performance gain over many classic techniques in various graph-related downstream tasks, their successes are restricted in shallow models due to over-smoothness and the difficulties of optimizations among many other issues. In this paper, to alleviate the over-smoothing issue, we propose a soft graph normalization method to preserve the diversities of node embeddings and prevent indiscrimination due to possible over-closeness. Combined with residual connections, we analyze the reason why the method can effectively capture the knowledge in both input graph structures and node features even with deep networks. Additionally, inspired by Curriculum Learning that learns easy examples before the hard ones, we propose a novel label-smoothing-based learning framework to enhance the optimization of deep GNNs, which iteratively smooths labels in an auxiliary graph and constructs many gradual non-smooth tasks for extracting increasingly complex knowledge and gradually discriminating nodes from coarse to fine. The method arguably reduces the risk of overfitting and generalizes better results. Finally, extensive experiments are carried out to demonstrate the effectiveness and potential of the proposed model and learning framework through comparison with twelve existing baselines including the state-of-the-art methods on twelve real-world node classification benchmarks.
Recent studies have demonstrated the potency of leveraging prompts in Transformers for continual learning (CL). Nevertheless, employing a discrete key-prompt bottleneck can lead to selection mismatches and inappropriate prompt associations during testing. Furthermore, this approach hinders adaptive prompting due to the lack of shareability among nearly identical instances at more granular level. To address these challenges, we introduce the Evolving Parameterized Prompt Memory (EvoPrompt), a novel method involving adaptive and continuous prompting attached to pre-trained Vision Transformer (ViT), conditioned on specific instance. We formulate a continuous prompt function as a neural bottleneck and encode the collection of prompts on network weights. We establish a paired prompt memory system consisting of a stable reference and a flexible working prompt memory. Inspired by linear mode connectivity, we progressively fuse the working prompt memory and reference prompt memory during inter-task periods, resulting in continually evolved prompt memory. This fusion involves aligning functionally equivalent prompts using optimal transport and aggregating them in parameter space with an adjustable bias based on prompt node attribution. Additionally, to enhance backward compatibility, we propose compositional classifier initialization, which leverages prior prototypes from pre-trained models to guide the initialization of new classifiers in a subspace-aware manner. Comprehensive experiments validate that our approach achieves state-of-the-art performance in both class and domain incremental learning scenarios.
Batch Normalization (BN) is widely used to stabilize the optimization process and improve the test performance of deep neural networks. The regularization effect of BN depends on the batch size and explicitly using smaller batch sizes with Batch Normalization, a method known as Ghost Batch Normalization (GBN), has been found to improve generalization in many settings. We investigate the effectiveness of GBN by disentangling the induced ``Ghost Noise'' from normalization and quantitatively analyzing the distribution of noise as well as its impact on model performance. Inspired by our analysis, we propose a new regularization technique called Ghost Noise Injection (GNI) that imitates the noise in GBN without incurring the detrimental train-test discrepancy effects of small batch training. We experimentally show that GNI can provide a greater generalization benefit than GBN. Ghost Noise Injection can also be beneficial in otherwise non-noisy settings such as layer-normalized networks, providing additional evidence of the usefulness of Ghost Noise in Batch Normalization as a regularizer.
IOFM: Using the Interpolation Technique on the Over-Fitted Models to Identify Clean-Annotated Samples
PDF ↗Most recent state-of-the-art algorithms for handling noisy label problems are based on the memorization effect, which is a phenomenon that deep neural networks (DNNs) memorize clean data before noisy ones. While the memorization effect can be a powerful tool, there are several cases where memorization effect does not occur. Examples are imbalanced class distributions and heavy contamination on labels. To address this limitation, we introduce a whole new approach called the interpolation with the over-fitted model (IOFM), which leverages over-fitted deep neural networks. The IOFM utilizes a new finding of over-fitted DNNs: for a given training sample, its neighborhoods chosen from the feature space are distributed differently on the original input space depending on the cleanness of the target sample. The IOFM has notable features in two aspects: 1) it yields superior results even when the training data are imbalanced or heavily noisy, 2) since we utilize over-fitted deep neural networks, a fine-tuning procedure to select the optimal training epoch, which is an essential yet sensitive factor for the success of the memorization effect, is not required, and thus, the IOFM can be used for non-experts. Through extensive experiments, we show that our method can serve as a promising alternative to existing solutions dealing with noisy labels, offering improved performance even in challenging situations.
NN-Steiner: A Mixed Neural-Algorithmic Approach for the Rectilinear Steiner Minimum Tree Problem
PDF ↗Recent years have witnessed rapid advances in the use of neural networks to solve combinatorial optimization problems. Nevertheless, designing the "right" neural model that can effectively handle a given optimization problem can be challenging, and often there is no theoretical understanding or justification of the resulting neural model. In this paper, we focus on the rectilinear Steiner minimum tree (RSMT) problem, which is of critical importance in IC layout design and as a result has attracted numerous heuristic approaches in the VLSI literature. Our contributions are two-fold. On the methodology front, we propose NN-Steiner which is a novel mixed neural-algorithmic framework for computing RSMTs that leverages the celebrated PTAS algorithmic framework of Arora to solve this problem (and other geometric optimization problems). Our NN-Steiner replaces key algorithmic components within Arora's PTAS by suitable neural components. In particular, NN-Steiner only needs four neural network (NN) components that are called repeatedly within an algorithmic framework. Crucially, each of the four NN components is only of bounded size independent of input size, and thus easy to train. Furthermore, as the NN component is learning a generic algorithmic step, once learned, the resulting mixed neural-algorithmic framework generalizes to much larger instances not seen in training. Our NN-Steiner, to our best knowledge, is the first neural architecture of bounded size that has capacity to approximately solve RSMT (and variants). On the empirical front, we show how NN-Steiner can be implemented and demonstrate the effectiveness of our resulting approach, especially in terms of generalization, by comparing with state-of-the-art methods (both neural and non-neural based).
Among existing Neural Architecture Search methods, DARTS is known for its efficiency and simplicity. This approach applies continuous relaxation of network representation to construct a weight-sharing supernet and enables the identification of excellent subnets in just a few GPU days. However, performance collapse in DARTS results in deteriorating architectures filled with parameter-free operations and remains a great challenge to the robustness. To resolve this problem, we reveal that the fundamental reason is the biased estimation of the candidate importance in the search space through theoretical and experimental analysis, and more precisely select operations via information-based measurements. Furthermore, we demonstrate that the excessive concern over the supernet and inefficient utilization of data in bi-level optimization also account for suboptimal results. We adopt a more realistic objective focusing on the performance of subnets and simplify it with the help of the informationbased measurements. Finally, we explain theoretically why progressively shrinking the width of the supernet is necessary and reduce the approximation error of optimal weights in DARTS. Our proposed method, named IS-DARTS, comprehensively improves DARTS and resolves the aforementioned problems. Extensive experiments on NAS-Bench-201 and DARTS-based search space demonstrate the effectiveness of IS-DARTS.
Graph Neural Networks (GNNs) have received widespread attention and applications due to their excellent performance in graph representation learning. Most existing GNNs can only aggregate 1-hop neighbors in a GNN layer, so they usually stack multiple GNN layers to obtain more information from larger neighborhoods. However, many studies have shown that model performance experiences a significant degradation with the increase of GNN layers. In this paper, we first introduce the concept of distinguishability of class to indirectly evaluate the learned node representations, and verify the positive correlation between distinguishability of class and model performance. Then, we propose a Graph Neural Network guided by Distinguishability of class (Disc-GNN) to monitor the representation learning, so as to learn better node representations and improve model performance. Specifically, we first perform inter-layer filtering and initial compensation based on Local Distinguishability of Class (LDC) in each layer, so that the learned node representations have the ability to distinguish different classes. Furthermore, we add a regularization term based on Global Distinguishability of Class (GDC) to achieve global optimization of model performance. Extensive experiments on six real-world datasets have shown that the competitive performance of Disc-GNN to the state-of-the-art methods on node classification and node clustering tasks.
Fine-tuning pre-trained neural network models has become a widely adopted approach across various domains. However, it can lead to the distortion of pre-trained feature extractors that already possess strong generalization capabilities. Mitigating feature distortion during adaptation to new target domains is crucial. Recent studies have shown promising results in handling feature distortion by aligning the head layer on in-distribution datasets before performing fine-tuning. Nonetheless, a significant limitation arises from the treatment of batch normalization layers during fine-tuning, leading to suboptimal performance. In this paper, we propose Domain-Aware Fine-Tuning (DAFT), a novel approach that incorporates batch normalization conversion and the integration of linear probing and fine-tuning. Our batch normalization conversion method effectively mitigates feature distortion by reducing modifications to the neural network during fine-tuning. Additionally, we introduce the integration of linear probing and fine-tuning to optimize the head layer with gradual adaptation of the feature extractor. By leveraging batch normalization layers and integrating linear probing and fine-tuning, our DAFT significantly mitigates feature distortion and achieves improved model performance on both in-distribution and out-of-distribution datasets. Extensive experiments demonstrate that our method outperforms other baseline methods, demonstrating its effectiveness in not only improving performance but also mitigating feature distortion.
Fast and Controllable Post-training Sparsity: Learning Optimal Sparsity Allocation with Global Constraint in Minutes
PDF ↗Neural network sparsity has attracted many research interests due to its similarity to biological schemes and high energy efficiency. However, existing methods depend on long-time training or fine-tuning, which prevents large-scale applications. Recently, some works focusing on post-training sparsity (PTS) have emerged. They get rid of the high training cost but usually suffer from distinct accuracy degradation due to neglect of the reasonable sparsity rate at each layer. Previous methods for finding sparsity rates mainly focus on the training-aware scenario, which usually fails to converge stably under the PTS setting with limited data and much less training cost. In this paper, we propose a fast and controllable post-training sparsity (FCPTS) framework. By incorporating a differentiable bridge function and a controllable optimization objective, our method allows for rapid and accurate sparsity allocation learning in minutes, with the added assurance of convergence to a predetermined global sparsity rate. Equipped with these techniques, we can surpass the state-of-the-art methods by a large margin, e.g., over 30\% improvement for ResNet-50 on ImageNet under the sparsity rate of 80\%. Our plug-and-play code and supplementary materials are open-sourced at https://github.com/ModelTC/FCPTS.
We present REGLO, a novel methodology for repairing pretrained neural networks to satisfy global robustness and individual fairness properties. A neural network is said to be globally robust with respect to a given input region if and only if all the input points in the region are locally robust. This notion of global robustness also captures the notion of individual fairness as a special case. We prove that any counterexample to a global robustness property must exhibit a corresponding large gradient. For ReLU networks, this result allows us to efficiently identify the linear regions that violate a given global robustness property. By formulating and solving a suitable robust convex optimization problem, REGLO then computes a minimal weight change that will provably repair these violating linear regions.
Double-descent curves in neural networks describe the phenomenon that the generalisation error initially descends with increasing parameters, then grows after reaching an optimal number of parameters which is less than the number of data points, but then descends again in the overparameterized regime. In this paper, we use techniques from random matrix theory to characterize the spectral distribution of the empirical feature covariance matrix as a width-dependent perturbation of the spectrum of the neural network Gaussian process (NNGP) kernel, thus establishing a novel connection between the NNGP literature and the random matrix theory literature in the context of neural networks. Our analytical expressions allow us to explore the generalisation behavior of the corresponding kernel and GP regression. Furthermore, they offer a new interpretation of double-descent in terms of the discrepancy between the width-dependent empirical kernel and the width-independent NNGP kernel.
Variational Inference (VI) has gained popularity as a flexible approximate inference scheme for computing posterior distributions in Bayesian models. Original VI methods use Kullback-Leibler (KL) divergence to construct variational objectives. However, KL divergence has zero-forcing behavior and is completely agnostic to the metric of the underlying data distribution, resulting in bad approximations. To alleviate this issue, we propose a new variational objective by using Optimal Transport (OT) distance, which is a metric-aware divergence, to measure the difference between approximate posteriors and priors. The superior performance of OT distance enables us to learn more accurate approximations. We further enhance the objective by gradually including the OT term using a hyperparameter λ for over-parameterized models. We develop a Variational inference method with OT (VOT) which presents a gradient-based black-box framework for solving Bayesian models, even when the density function of approximate distribution is not available. We provide the consistency analysis of approximate posteriors and demonstrate the practical effectiveness on Bayesian neural networks and variational autoencoders.
Recurrent Neural Networks (RNNs) are useful in temporal sequence tasks. However, training RNNs involves dense matrix multiplications which require hardware that can support a large number of arithmetic operations and memory accesses. Implementing online training of RNNs on the edge calls for optimized algorithms for an efficient deployment on hardware. Inspired by the spiking neuron model, the Delta RNN exploits temporal sparsity during inference by skipping over the update of hidden states from those inactivated neurons whose change of activation across two timesteps is below a defined threshold. This work describes a training algorithm for Delta RNNs that exploits temporal sparsity in the backward propagation phase to reduce computational requirements for training on the edge. Due to the symmetric computation graphs of forward and backward propagation during training, the gradient computation of inactivated neurons can be skipped. Results show a reduction of ∼80% in matrix operations for training a 56k parameter Delta LSTM on the Fluent Speech Commands dataset with negligible accuracy loss. Logic simulations of a hardware accelerator designed for the training algorithm show 2-10X speedup in matrix computations for an activation sparsity range of 50%-90%. Additionally, we show that the proposed Delta RNN training will be useful for online incremental learning on edge devices with limited computing resources.
Traditional gradient descent (GD) has been fully investigated for convex or L-smoothness functions, and it is widely utilized in current neural network optimization. The classical descent lemma ensures that for a function with L-smoothness, the GD trajectory converges stably towards the minimum when the learning rate is below 2 / L. This convergence is marked by a consistent reduction in the loss function throughout the iterations. However, recent experimental studies have demonstrated that even when the L-smoothness condition is not met, or if the learning rate is increased leading to oscillations in the loss function during iterations, the GD trajectory still exhibits convergence over the long run. This phenomenon is referred to as the unstable convergence regime of GD. In this paper, we present a theoretical perspective to offer a qualitative analysis of this phenomenon. The unstable convergence is in fact an inherent property of GD for general twice differentiable functions. Specifically, the forwardinvariance of GD is established, i.e., it ensures that any point within a local region will always remain within this region under GD iteration. Then, based on the forward-invariance, for the initialization outside an open set containing the local minimum, the loss function will oscillate at the first several iterations and then become monotonely decreasing after the GD trajectory jumped into the open set. This work theoretically clarifies the unstable convergence phenomenon of GD discussed in previous experimental works. The unstable convergence of GD mainly depends on the selection of the initialization, and it is actually inevitable due to the complex nature of loss function.
FedDAT: An Approach for Foundation Model Finetuning in Multi-Modal Heterogeneous Federated Learning
PDF ↗Recently, foundation models have exhibited remarkable advancements in multi-modal learning. These models, equipped with millions (or billions) of parameters, typically require a substantial amount of data for finetuning. However, collecting and centralizing training data from diverse sectors becomes challenging due to distinct privacy regulations. Federated Learning (FL) emerges as a promising solution, enabling multiple clients to collaboratively train neural networks without centralizing their local data. To alleviate client computation burdens and communication overheads, previous works have adapted Parameter-efficient Finetuning (PEFT) methods for FL. Hereby, only a small fraction of the model parameters are optimized and communicated during federated communications. Nevertheless, most previous works have focused on a single modality and neglected one common phenomenon, i.e., the presence of data heterogeneity across the clients. Therefore, in this work, we propose a finetuning framework tailored to heterogeneous multi-modal FL, called Federated Dual-Aadapter Teacher (FedDAT). Specifically, our approach leverages a Dual-Adapter Teacher (DAT) to address data heterogeneity by regularizing the client local updates and applying Mutual Knowledge Distillation (MKD) for an efficient knowledge transfer. FedDAT is the first approach that enables an efficient distributed finetuning of foundation models for a variety of heterogeneous Vision-Language tasks. To demonstrate its effectiveness, we conduct extensive experiments on four multi-modality FL benchmarks with different types of data heterogeneity, where FedDAT substantially outperforms the existing centralized PEFT methods adapted for FL.
Differentiable Architecture Search (DARTS) has achieved a rapid search for excellent architectures by optimizing architecture parameters through gradient descent. However, this efficiency comes with a significant challenge: the risk of premature convergence to local optima, resulting in subpar performance that falls short of expectations. To address this issue, we propose a novel and effective method called Evolutionary Gradient-Based Neural Architecture Search (EG-NAS). Our approach combines the strengths of both gradient descent and evolutionary strategy, allowing for the exploration of various optimization directions during the architecture search process. To begin with, we continue to employ gradient descent for updating network parameters to ensure efficiency. Subsequently, to mitigate the risk of premature convergence, we introduce an evolutionary strategy with global search capabilities to optimize the architecture parameters. By leveraging the best of both worlds, our method strikes a balance between efficient exploration and exploitation of the search space. Moreover, we have redefined the fitness function to not only consider accuracy but also account for individual similarity. This inclusion enhances the diversity and accuracy of the optimized directions identified by the evolutionary strategy. Extensive experiments on various datasets and search spaces demonstrate that EG-NAS achieves highly competitive performance at significantly low search costs compared to state-of-the-art methods. The code is available at https://github.com/caicaicheng/EG-NAS.
Graph clustering is a fundamental and challenging task in the field of graph mining where the objective is to group the nodes into clusters taking into consideration the topology of the graph. It has several applications in diverse domains spanning social network analysis, recommender systems, computer vision, and bioinformatics. In this work, we propose a novel method, DGCluster, which primarily optimizes the modularity objective using graph neural networks and scales linearly with the graph size. Our method does not require the number of clusters to be specified as a part of the input and can also leverage the availability of auxiliary node level information. We extensively test DGCluster on several real-world datasets of varying sizes, across multiple popular cluster quality metrics. Our approach consistently outperforms the state-of-the-art methods, demonstrating significant performance gains in almost all settings.