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 transformer decoder


End-to-End Subgraph Detection with GraphDETR

arXiv.org Machine Learning

Subgraph detection seeks to identify whether and where instances of query patterns occur within a larger graph. This problem is fundamental across scientific domains and is closely related to subgraph isomorphism, which is NP-complete, limiting combinatorial approaches to small patterns or moderately sized graphs. We introduce GraphDETR, a deep learning framework that formulates subgraph detection as a set prediction problem, analogous to DETR in object detection. GraphDETR encodes the target graph with a graph neural network, and employs a fixed set of learnable query vectors, decoded via a transformer decoder, to predict all pattern occurrences jointly in a single forward pass. This is enabled by training the model end-to-end with bipartite matching. Unlike traditional combinatorial methods that only solve exact structural matching, GraphDETR naturally extends to approximate matching, enabling detection beyond exact pattern correspondence. Empirically, we show that GraphDETR can detect diverse patterns, such as molecular structures, cycles, cliques, and fuzzy patterns of up to 50 nodes, in target graphs with up to 1000 nodes. We further evaluate on molecular functional group detection over the ChEMBL dataset, where GraphDETR predicts the complete set of functional groups per molecule, achieving a strong performance of $\text{AP}_{100} = 91.2$.



Appendix

Neural Information Processing Systems

Overall dataset-specific architecture: The overall architecture equipped with all our datasetspecific modules is shown in Figure 1. We design the dataset-specific modules to be light-weight, which allows us to save on memory costs.


Rethinking Decoders for Transformer-based Semantic Segmentation: A Compression Perspective

Neural Information Processing Systems

State-of-the-art methods for Transformer-based semantic segmentation typically adopt Transformer decoders that are used to extract additional embeddings from image embeddings via cross-attention, refine either or both types of embeddings via self-attention, and project image embeddings onto the additional embeddings via dot-product. Despite their remarkable success, these empirical designs still lack theoretical justifications or interpretations, thus hindering potentially principled improvements. In this paper, we argue that there are fundamental connections between semantic segmentation and compression, especially between the Transformer decoders and Principal Component Analysis (PCA). From such a perspective, we derive a white-box, fully attentional DEcoder for PrIncipled semantiC segemenTation (DEPICT), with the interpretations as follows: 1) the self-attention operator refines image embeddings to construct an ideal principal subspace that aligns with the supervision and retains most information; 2) the cross-attention operator seeks to find a low-rank approximation of the refined image embeddings, which is expected to be a set of orthonormal bases of the principal subspace and corresponds to the predefined classes; 3) the dot-product operation yields compact representation for image embeddings as segmentation masks. Experiments conducted on dataset ADE20K find that DEPICT consistently outperforms its black-box counterpart, Segmenter, and it is light weight and more robust.


ReMaX: Relaxing for Better Training on Efficient Panoptic Segmentation

Neural Information Processing Systems

This paper presents a new mechanism to facilitate the training of mask transformers for efficient panoptic segmentation, democratizing its deployment. We observe that due to the high complexity in the training objective of panoptic segmentation, it will inevitably lead to much higher penalization on false positive.


Appendix

Neural Information Processing Systems

The annotation tool is a free painting tool, which allows the raters to freely draw the instance mask. We ask the raters to try to draw within the bbox, but if the object is obviously exceeding the bbox, then they can draw outside the bbox. The size of the stroke is adjustable.