Kewei Li, Rongying Zhang, Xueli Wang +6cs.AI q-bio.BM
Token aggregation converts token-level representations into fixed-dimensional sample representations, but most pooling methods operate only in the original token space. We introduce Frequency-Domain Latent-attention Gated Pooling (FLaG), a plug-in aggregation module that re-expresses encoder outputs in the Fourier domain before final pooling. FLaG represents the nonredundant rFFT spectrum through concatenated real and imaginary components, summarizes spectral tokens with learnable latent queries, derives a sample-conditioned channel gate, and reconstructs modulated token representations for downstream aggregation. We evaluate the same architecture across ESM2-based antimicrobial peptide (AMP) activity prediction, ResNet18 image classification on CIFAR-10 and CIFAR-100, and three RoBERTa-based language tasks. FLaG achieves the best macro-averaged Spearman correlation coefficient, RMSE, and Recall@50 across four AMP backbone-species settings and the highest top-1 accuracy on CIFAR 10. It also achieves the best mean results on five of seven language metrics, although mean pooling remains strongest on STSBenchmark. AMP-side mechanistic analyses reveal low-frequency prediction sensitivity across most encoder layers, with increased relative high-frequency sensitivity in the final layer, and pronounced peptide-specific positional responses. The residual gate broadly amplifies spectral channels while preserving the low-frequency-dominated energy profile, whereas latent cross-attention exhibits sample- and species-specific spectral allocation. Overall, FLaG provides a transferable frequency-domain aggregation bias across protein, visual, and textual representations, with benefits that depend on the backbone and downstream task. Supplementary materials, source code, and data are available at https://www.healthinformaticslab.org/supp/ and https://github.com/Kewei2023/AMPCliff/tree/FLaG.
Francesco Paolo Nerini, Francesco Bonchi, Arijit Khan +1cs.LG cs.DS
Correlation Clustering (CC) is a natural formulation of clustering in combinatorial optimization, which uses a graph representation of the input and does not require a pre-specified number of clusters. Given $n$ objects and a pairwise similarity function, the goal is to cluster the objects so that similar objects are put in the same cluster and dissimilar objects are put in different clusters. Despite its versatility, existing CC algorithms suffer from significant scalability issues and are inherently transductive: i.e., the algorithm must be executed from scratch for any new problem instance. In this work, we bridge this gap by leveraging Graph Neural Networks (GNNs) to solve Inductive Correlation Clustering, a novel generalization of the CC problem designed to handle unseen graph instances. By learning to exploit common structural patterns and node features during training, our framework generalizes to new graphs drawn from the same distribution with minimal computational overhead with respect to standard algorithms. We demonstrate the effectiveness and scalability of our approach through extensive experiments. Our framework not only excels in the inductive setting, e.g., lowering the inference time up to $5$ order of magnitude, while maintaining an approximation ratio within $~10\%$ of the best baseline solution, but also achieves competitive results on standard (transductive) CC benchmarks. Finally, we showcase a practical application of our framework as a learnable pooling mechanism for graph classification. Our results indicate that our method serves as an efficient pooling layer, enhancing the ability of GNNs to capture hierarchical structural information in networks.
In computer vision, the basic pipeline of most convolutional neural networks consists of multiple feature extraction layers, where the input signal is downsampled to a lower resolution in each subsequent layer. This downsampling process is commonly referred to as pooling, which is an essential operation in CNNs. Pooling improves robustness against transformations, reduces the number of trainable parameters, increases the receptive field, and lowers computation time. Since pooling is a lossy process but remains important for extracting high-level information from low-level representations, it is important to preserve the most prominent information from previous activations to improve network discriminability. Standard pooling is usually performed using dense pooling methods, such as max pooling or average pooling, or through strided convolutional kernels. In this paper, we propose a simple yet effective adaptive pooling method, called FlexPooling, which generalizes average pooling by learning a weighted average over activations jointly with the rest of the network. We further show that attaching Simple Auxiliary Classifiers (SAC) to the CNN improves performance and demonstrates the effectiveness of the proposed method compared with standard pooling methods. Experiments on multiple popular image classification datasets show that FlexPooling consistently outperforms baseline networks, achieving approximately 1 to 3 percent improvement in accuracy.
Convolutions have successfully transitioned from image processing to the complex realm of non-Euclidean higher-order domains, particularly in hypergraphs. Despite the success in convolution, the exploration of a popular architecture named U-Net remains largely unexplored for hypergraph data due to the lack of well-defined pooling and unpooling operations. This work pioneers the study of U-Net architectures for hypergraph data, addressing the critical challenge of designing effective pooling and unpooling operations that retain maximal structural information from the input hypergraph. Motivated by hierarchical clustering, we propose to construct the pooling and unpooling operators all at once by cutting the clustering dendrogram at different granularities, named the Parallel Hierarchical Pooling (PHPool) and Unpooling (PHUnpool) operators. Unlike existing pooling methods that risk local structural damage through a sequential learning procedure, our PHPool operators are designed in a global and parallel manner to ensure fidelity to the original hypergraph structure with efficient computation while the PHUnpool operators are tailored to perform inverse operations of the PHPools for hypergraph reconstruction. We validate our model through hypergraph reconstruction simulation, hypergraph classification, and node-level anomaly detection, where it demonstrates superior performance over existing state-of-the-art graph and hypergraph deep learning methods.
For constructing text embeddings, mean pooling, which averages token embeddings, is the standard approach. This paper examines whether mean pooling actually works well in real models. First, we note that mean pooling can collapse information beyond the first-order statistics of the token embeddings, such as second-order statistics that capture their spatial structure, potentially mapping distinct token embedding distributions to similar text embeddings. Motivated by this concern, we propose a simple metric to quantify such a collapse induced by mean pooling. Then, using this metric, we empirically measure how often this collapse occurs in actual models and texts, and find that modern text encoders are robust to this collapse. In particular, contrastive fine-tuned text encoders tend to be less prone to the collapse than their pretrained backbone models. We also find that the robustness of these text encoders lies in the concentration of token embeddings within each text. In addition, we find that robustness to the collapse, as quantified by our proposed metric, correlates with downstream task performance. Overall, our findings offer a new perspective on why modern text encoders remain effective despite relying on seemingly coarse mean pooling.