Training deep learning models and performing hyperparameter tuning can be computationally demanding and time-consuming. Meanwhile, traditional machine learning methods like gradient-boosting algorithms remain the preferred choice for most tabular data applications, while neural network alternatives require extensive hyperparameter tuning or work only in toy datasets under limited settings. In this paper, we introduce HyperFast, a meta-trained hypernetwork designed for instant classification of tabular data in a single forward pass. HyperFast generates a task-specific neural network tailored to an unseen dataset that can be directly used for classification inference, removing the need for training a model. We report extensive experiments with OpenML and genomic data, comparing HyperFast to competing tabular data neural networks, traditional ML methods, AutoML systems, and boosting machines. HyperFast shows highly competitive results, while being significantly faster. Additionally, our approach demonstrates robust adaptability across a variety of classification tasks with little to no fine-tuning, positioning HyperFast as a strong solution for numerous applications and rapid model deployment. HyperFast introduces a promising paradigm for fast classification, with the potential to substantially decrease the computational burden of deep learning. Our code, which offers a scikit-learn-like interface, along with the trained HyperFast model, can be found at https://github.com/AI-sandbox/HyperFast.
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The recent surge of pervasive devices that generate dynamic data streams has underscored the necessity for learning systems to adapt continually to data distributional shifts. To tackle this challenge, the research community has put forth a spectrum of methodologies, including the demanding pursuit of class-incremental learning without replay data. In this study, we present MIND, a parameter isolation method that aims to significantly enhance the performance of replay-free solutions and achieve state-of-the-art results on several widely studied datasets. Our approach introduces two main contributions: two alternative distillation procedures that significantly improve the efficiency of MIND increasing the accumulated knowledge of each sub-network, and the optimization of the BachNorm layers across tasks inside the sub-networks. Overall, MIND outperforms all the state-of-the-art methods for rehearsal-free Class-Incremental learning (with an increment in classification accuracy of approx. +6% on CIFAR-100/10 and +10% on TinyImageNet/10) reaching up to approx. +40% accuracy in Domain-Incremental scenarios. Moreover, we ablated each contribution to demonstrate its impact on performance improvement. Our results showcase the superior performance of MIND indicating its potential for addressing the challenges posed by Class-incremental and Domain-Incremental learning in resource-constrained environments.
Few-shot classification (FSC) entails learning novel classes given only a few examples per class after a pre-training (or meta-training) phase on a set of base classes. Recent works have shown that simply fine-tuning a pre-trained Vision Transformer (ViT) on new test classes is a strong approach for FSC. Fine-tuning ViTs, however, is expensive in time, compute and storage. This has motivated the design of parameter efficient fine-tuning (PEFT) methods which fine-tune only a fraction of the Transformer's parameters. While these methods have shown promise, inconsistencies in experimental conditions make it difficult to disentangle their advantage from other experimental factors including the feature extractor architecture, pre-trained initialization and fine-tuning algorithm, amongst others. In our paper, we conduct a large-scale, experimentally consistent, empirical analysis to study PEFTs for few-shot image classification. Through a battery of over 1.8k controlled experiments on large-scale few-shot benchmarks including Meta-Dataset and ORBIT, we uncover novel insights on PEFTs that cast light on their efficacy in fine-tuning ViTs for few-shot classification. Through our controlled empirical study, we have two main findings: (i) Fine-tuning just the LayerNorm parameters (which we call LN-Tune) during few-shot adaptation is an extremely strong baseline across ViTs pre-trained with both self-supervised and supervised objectives, (ii) For self-supervised ViTs, we find that simply learning a set of scaling parameters for each attention matrix (which we call Attn-Scale) along with a domain-residual adapter (DRA) module leads to state-of-the-art performance (while being ~9x more parameter-efficient) on Meta-Dataset. Our empirical findings set strong baselines and call for rethinking the current design of PEFT methods for FSC.
Exploring biologically plausible algorithms as alternatives to error backpropagation (BP) is a challenging research topic in artificial intelligence. It also provides insights into the brain's learning methods. Recently, when combined with well-designed feedback loss functions such as Local Difference Reconstruction Loss (LDRL) and through hierarchical training of feedback pathway synaptic weights, Target Propagation (TP) has achieved performance comparable to BP in image classification tasks. However, with an increase in the number of network layers, the tuning and training cost of feedback weights escalates. Drawing inspiration from the work of Ernoult et al., we propose a training method that seeks the optimal solution for feedback weights. This method enhances the efficiency of feedback training by analytically minimizing feedback loss, allowing the feedback layer to skip certain local training iterations. More specifically, we introduce the Jacobian matching loss (JML) for feedback training. We also proactively implement layers designed to derive analytical solutions that minimize JML. Through experiments, we have validated the effectiveness of this approach. Using the CIFAR-10 dataset, our method showcases accuracy levels comparable to state-of-the-art TP methods. Furthermore, we have explored its effectiveness in more intricate network architectures.
Quantization has emerged as a promising direction for model compression. Recently, data-free quantization has been widely studied as a promising method to avoid privacy concerns, which synthesizes images as an alternative to real training data. Existing methods use classification loss to ensure the reliability of the synthesized images. Unfortunately, even if these images are well-classified by the pre-trained model, they still suffer from low semantics and homogenization issues. Intuitively, these low-semantic images are sensitive to perturbations, and the pre-trained model tends to have inconsistent output when the generator synthesizes an image with low semantics. To this end, we propose Robustness-Guided Image Synthesis (RIS), a simple but effective method to enrich the semantics of synthetic images and improve image diversity, further boosting the performance of data-free compression tasks. Concretely, we first introduce perturbations on input and model weight, then define the inconsistency metrics at feature and prediction levels before and after perturbations. On the basis of inconsistency on two levels, we design a robustness optimization objective to eliminate low-semantic images. Moreover, we also make our approach diversity-aware by forcing the generator to synthesize images with small correlations. With RIS, we achieve state-of-the-art performance for various settings on data-free quantization and can be extended to other data-free compression tasks.
Quantum Machine Learning (QML) has emerged as a promising field of research, aiming to leverage the capabilities of quantum computing to enhance existing machine learning methodologies. Recent studies have revealed that, like their classical counterparts, QML models based on Parametrized Quantum Circuits (PQCs) are also vulnerable to adversarial attacks. Moreover, the existence of Universal Adversarial Perturbations (UAPs) in the quantum domain has been demonstrated theoretically in the context of quantum classifiers. In this work, we introduce QuGAP: a novel framework for generating UAPs for quantum classifiers. We conceptualize the notion of additive UAPs for PQC-based classifiers and theoretically demonstrate their existence. We then utilize generative models (QuGAP-A) to craft additive UAPs and experimentally show that quantum classifiers are susceptible to such attacks. Moreover, we formulate a new method for generating unitary UAPs (QuGAP-U) using quantum generative models and a novel loss function based on fidelity constraints. We evaluate the performance of the proposed framework and show that our method achieves state-of-the-art misclassification rates, while maintaining high fidelity between legitimate and adversarial samples.
Continual Learning is a step towards lifelong intelligence where models continuously learn from recently collected data without forgetting previous knowledge. Existing continual learning approaches mostly focus on image classification in the class-incremental setup with clear task boundaries and unlimited computational budget. This work explores the problem of Online Domain-Incremental Continual Segmentation (ODICS), where the model is continually trained over batches of densely labeled images from different domains, with limited computation and no information about the task boundaries. ODICS arises in many practical applications. In autonomous driving, this may correspond to the realistic scenario of training a segmentation model over time on a sequence of cities. We analyze several existing continual learning methods and show that they perform poorly in this setting despite working well in class-incremental segmentation. We propose SimCS, a parameter-free method complementary to existing ones that uses simulated data to regularize continual learning. Experiments show that SimCS provides consistent improvements when combined with different CL methods.
We present a deep Graph Convolutional Kernel Machine (GCKM) for semi-supervised node classification in graphs. The method is built of two main types of blocks: (i) We introduce unsupervised kernel machine layers propagating the node features in a one-hop neighborhood, using implicit node feature mappings. (ii) We specify a semi-supervised classification kernel machine through the lens of the Fenchel-Young inequality. We derive an effective initialization scheme and efficient end-to-end training algorithm in the dual variables for the full architecture. The main idea underlying GCKM is that, because of the unsupervised core, the final model can achieve higher performance in semi-supervised node classification when few labels are available for training. Experimental results demonstrate the effectiveness of the proposed framework.
In recent years, significant progress has been made in the field of protein function prediction with the development of various machine-learning approaches. However, most existing methods formulate the task as a multi-classification problem, i.e. assigning predefined labels to proteins. In this work, we propose a novel approach, Prot2Text, which predicts a protein's function in a free text style, moving beyond the conventional binary or categorical classifications. By combining Graph Neural Networks(GNNs) and Large Language Models(LLMs), in an encoder-decoder framework, our model effectively integrates diverse data types including protein sequence, structure, and textual annotation and description. This multimodal approach allows for a holistic representation of proteins' functions, enabling the generation of detailed and accurate functional descriptions. To evaluate our model, we extracted a multimodal protein dataset from SwissProt, and demonstrate empirically the effectiveness of Prot2Text. These results highlight the transformative impact of multimodal models, specifically the fusion of GNNs and LLMs, empowering researchers with powerful tools for more accurate function prediction of existing as well as first-to-see proteins.
On the Structural Hardness of Answer Set Programming: Can Structure Efficiently Confine the Power of Disjunctions?
PDF ↗Answer Set Programming (ASP) is a generic problem modeling and solving framework with a strong focus on knowledge representation and a rapid growth of industrial applications. So far, the study of complexity resulted in characterizing hardness and determining their sources, fine-grained insights in the form of dichotomy-style results, as well as detailed parameterized complexity landscapes. Unfortunately, for the well-known parameter treewidth disjunctive programs require double-exponential runtime under reasonable complexity assumptions. This quickly becomes out of reach. We deal with the classification of structural parameters for disjunctive ASP on the program's rule structure (incidence graph). First, we provide a polynomial kernel to obtain single-exponential runtime in terms of vertex cover size, despite subset-minimization being not represented in the program’s structure. Then we turn our attention to strictly better structural parameters between vertex cover size and treewidth. Here, we provide double-exponential lower bounds for the most prominent parameters in that range: treedepth, feedback vertex size, and cliquewidth. Based on this, we argue that unfortunately our options beyond vertex cover size are limited. Our results provide an in-depth hardness study, relying on a novel reduction from normal to disjunctive programs, trading the increase of complexity for an exponential parameter compression.
We consider the NP-hard problem of finding a smallest decision tree representing a classification instance in terms of a partially defined Boolean function. Small decision trees are desirable to provide an interpretable model for the given data. We show that the problem is fixed-parameter tractable when parameterized by the rank-width of the incidence graph of the given classification instance. Our algorithm proceeds by dynamic programming using an NLC decomposition obtained from a rank-width decomposition. The key to the algorithm is a succinct representation of partial solutions. This allows us to limit the space and time requirements for each dynamic programming step in terms of the parameter.
Open-set graph learning is a practical task that aims to classify the known class nodes and to identify unknown class samples as unknowns. Conventional node classification methods usually perform unsatisfactorily in open-set scenarios due to the complex data they encounter, such as out-of-distribution (OOD) data and in-distribution (IND) noise. OOD data are samples that do not belong to any known classes. They are outliers if they occur in training (OOD noise), and open-set samples if they occur in testing. IND noise are training samples which are assigned incorrect labels. The existence of IND noise and OOD noise is prevalent, which usually cause the ambiguity problem, including the intra-class variety problem and the inter-class confusion problem. Thus, to explore robust open-set learning methods is necessary and difficult, and it becomes even more difficult for non-IID graph data. To this end, we propose a unified framework named ROG_PL to achieve robust open-set learning on complex noisy graph data, by introducing prototype learning. In specific, ROG_PL consists of two modules, i.e., denoising via label propagation and open-set prototype learning via regions. The first module corrects noisy labels through similarity-based label propagation and removes low-confidence samples, to solve the intra-class variety problem caused by noise. The second module learns open-set prototypes for each known class via non-overlapped regions and remains both interior and border prototypes to remedy the inter-class confusion problem. The two modules are iteratively updated under the constraints of classification loss and prototype diversity loss. To the best of our knowledge, the proposed ROG_PL is the first robust open-set node classification method for graph data with complex noise. Experimental evaluations of ROG_PL on several benchmark graph datasets demonstrate that it has good performance.
In the existing spectral GNNs, polynomial-based methods occupy the mainstream in designing a filter through the Laplacian matrix. However, polynomial combinations factored by the Laplacian matrix naturally have limitations in message passing (e.g., over-smoothing). Furthermore, most existing spectral GNNs are based on polynomial bases, which struggle to capture the high-frequency parts of the graph spectral signal. Additionally, we also find that even increasing the polynomial order does not change this situation, which means polynomial-based models have a natural deficiency when facing high-frequency signals. To tackle these problems, we propose WaveNet, which aims to effectively capture the high-frequency part of the graph spectral signal from the perspective of wavelet bases through reconstructing the message propagation matrix. We utilize Multi-Resolution Analysis (MRA) to model this question, and our proposed method can reconstruct arbitrary filters theoretically. We also conduct node classification experiments on real-world graph benchmarks and achieve superior performance on most datasets. Our code is available at https://github.com/Bufordyang/WaveNet
Hypergraph captures high-order information in structured data and obtains much attention in machine learning and data mining. Existing approaches mainly learn representations for hypervertices by transforming a hypergraph to a standard graph, or learn representations for hypervertices and hyperedges in separate spaces. In this paper, we propose a hypergraph expansion method to transform a hypergraph to a standard graph while preserving high-order information. Different from previous hypergraph expansion approaches like clique expansion and star expansion, we transform both hypervertices and hyperedges in the hypergraph to vertices in the expanded graph, and construct connections between hypervertices or hyperedges, so that richer relationships can be used in graph learning. Based on the expanded graph, we propose a learning model to embed hypervertices and hyperedges in a joint representation space. Compared with the method of learning separate spaces for hypervertices and hyperedges, our method is able to capture common knowledge involved in hypervertices and hyperedges, and also improve the data efficiency and computational efficiency. To better leverage structure information, we minimize the graph reconstruction loss to preserve the structure information in the model. We perform experiments on both hypervertex classification and hyperedge classification tasks to demonstrate the effectiveness of our proposed method.
Graph-based fraud detection (GFD) can be regarded as a challenging semi-supervised node binary classification task. In recent years, Graph Neural Networks (GNN) have been widely applied to GFD, characterizing the anomalous possibility of a node by aggregating neighbor information. However, fraud graphs are inherently heterophilic, thus most of GNNs perform poorly due to their assumption of homophily. In addition, due to the existence of heterophily and class imbalance problem, the existing models do not fully utilize the precious node label information. To address the above issues, this paper proposes a semi-supervised GNN-based fraud detector SEC-GFD. This detector includes a hybrid filtering module and a local environmental constraint module, the two modules are utilized to solve heterophily and label utilization problem respectively. The first module starts from the perspective of the spectral domain, and solves the heterophily problem to a certain extent. Specifically, it divides the spectrum into various mixed-frequency bands based on the correlation between spectrum energy distribution and heterophily. Then in order to make full use of the node label information, a local environmental constraint module is adaptively designed. The comprehensive experimental results on four real-world fraud detection datasets denote that SEC-GFD outperforms other competitive graph-based fraud detectors. We release our code at https://github.com/Sunxkissed/SEC-GFD.
Hierarchy is an important and commonly observed topological property in real-world graphs that indicate the relationships between supervisors and subordinates or the organizational behavior of human groups. As hierarchy is introduced as a new inductive bias into the Graph Neural Networks (GNNs) in various tasks, it implies latent topological relations for attackers to improve their inference attack performance, leading to serious privacy leakage issues. In addition, existing privacy-preserving frameworks suffer from reduced protection ability in hierarchical propagation due to the deficiency of adaptive upper-bound estimation of the hierarchical perturbation boundary. It is of great urgency to effectively leverage the hierarchical property of data while satisfying privacy guarantees. To solve the problem, we propose the Poincar\'e Differential Privacy framework, named PoinDP, to protect the hierarchy-aware graph embedding based on hyperbolic geometry. Specifically, PoinDP first learns the hierarchy weights for each entity based on the Poincar\'e model in hyperbolic space. Then, the Personalized Hierarchy-aware Sensitivity is designed to measure the sensitivity of the hierarchical structure and adaptively allocate the privacy protection strength. Besides, Hyperbolic Gaussian Mechanism (HGM) is proposed to extend the Gaussian mechanism in Euclidean space to hyperbolic space to realize random perturbations that satisfy differential privacy under the hyperbolic space metric. Extensive experiment results on five real-world datasets demonstrate the proposed PoinDP’s advantages of effective privacy protection while maintaining good performance on the node classification task.
Domain adaptation has become an attractive learning paradigm, as it can leverage source domains with rich labels to deal with classification tasks in an unlabeled target domain. A few recent studies develop domain adaptation approaches for graph-structured data. In the case of node classification task, current domain adaptation methods only focus on the closed-set setting, where source and target domains share the same label space. A more practical assumption is that the target domain may contain new classes that are not included in the source domain. Therefore, in this paper, we introduce a novel and challenging problem for graphs, i.e., open-set domain adaptive node classification, and propose a new approach to solve it. Specifically, we develop an algorithm for efficient knowledge transfer from a labeled source graph to an unlabeled target graph under a separate domain alignment (SDA) strategy, in order to learn discriminative feature representations for the target graph. Our goal is to not only correctly classify target nodes into the known classes, but also classify unseen types of nodes into an unknown class. Experimental results on real-world datasets show that our method outperforms existing methods on graph domain adaptation.
CREAD: A Classification-Restoration Framework with Error Adaptive Discretization for Watch Time Prediction in Video Recommender Systems
PDF ↗The watch time is a significant indicator of user satisfaction in video recommender systems. However, the prediction of watch time as a target variable is often hindered by its highly imbalanced distribution with a scarcity of observations for larger target values and over-populated samples for small values. State-of-the-art watch time prediction models discretize the continuous watch time into a set of buckets in order to consider the distribution of watch time. However, it is highly uninvestigated how these discrete buckets should be created from the continuous watch time distribution, and existing discretization approaches suffer from either a large learning error or a large restoration error. To address this challenge, we propose a Classification-Restoration framework with Error-Adaptive-Discretization (CREAD) to accurately predict the watch time. The proposed framework contains a discretization module, a classification module, and a restoration module. It predicts the watch time through multiple classification problems. The discretization process is a key contribution of the CREAD framework. We theoretically analyze the impacts of the discretization on the learning error and the restoration error, and then propose the error-adaptive discretization (EAD) technique to better balance the two errors, which achieves better performance over traditional discretization approaches. We conduct detailed offline evaluations on a public dataset and an industrial dataset, both showing performance gains through the proposed approach. Moreover, We have fully launched our framework to an online video platform, which resulted in a significant increase in users' video watch time by 0.29% through A/B testing. These results highlight the effectiveness of the CREAD framework in watch time prediction in video recommender systems.
In Time Series Classification (TSC), temporal pooling methods that consider sequential information have been proposed. However, we found that each temporal pooling has a distinct mechanism, and can perform better or worse depending on time series data. We term this fixed pooling mechanism a single perspective of temporal poolings. In this paper, we propose a novel temporal pooling method with diverse perspective learning: Selection over Multiple Temporal Poolings (SoM-TP). SoM-TP dynamically selects the optimal temporal pooling among multiple methods for each data by attention. The dynamic pooling selection is motivated by the ensemble concept of Multiple Choice Learning (MCL), which selects the best among multiple outputs. The pooling selection by SoM-TP's attention enables a non-iterative pooling ensemble within a single classifier. Additionally, we define a perspective loss and Diverse Perspective Learning Network (DPLN). The loss works as a regularizer to reflect all the pooling perspectives from DPLN. Our perspective analysis using Layer-wise Relevance Propagation (LRP) reveals the limitation of a single perspective and ultimately demonstrates diverse perspective learning of SoM-TP. We also show that SoM-TP outperforms CNN models based on other temporal poolings and state-of-the-art models in TSC with extensive UCR/UEA repositories.
Refining Latent Homophilic Structures over Heterophilic Graphs for Robust Graph Convolution Networks
PDF ↗Graph convolution networks (GCNs) are extensively utilized in various graph tasks to mine knowledge from spatial data. Our study marks the pioneering attempt to quantitatively investigate the GCN robustness over omnipresent heterophilic graphs for node classification. We uncover that the predominant vulnerability is caused by the structural out-of-distribution (OOD) issue. This finding motivates us to present a novel method that aims to harden GCNs by automatically learning Latent Homophilic Structures over heterophilic graphs. We term such a methodology as LHS. To elaborate, our initial step involves learning a latent structure by employing a novel self-expressive technique based on multi-node interactions. Subsequently, the structure is refined using a pairwisely constrained dual-view contrastive learning approach. We iteratively perform the above procedure, enabling a GCN model to aggregate information in a homophilic way on heterophilic graphs. Armed with such an adaptable structure, we can properly mitigate the structural OOD threats over heterophilic graphs. Experiments on various benchmarks show the effectiveness of the proposed LHS approach for robust GCNs.