United States

This paper studies the problem of graph-level clustering, which is a novel yet challenging task. This problem is critical in a variety of real-world applications such as protein clustering and genome analysis in bioinformatics. Recent years have witnessed the success of deep clustering coupled with graph neural networks (GNNs). However, existing methods focus on clustering among nodes given a single graph, while exploring clustering on multiple graphs is still under-explored. In this paper, we propose a general graph-level clustering framework named Graph-Level Contrastive Clustering (GLCC) given multiple graphs. Specifically, GLCC first constructs an adaptive affinity graph to explore instance- and cluster-level contrastive learning (CL). Instance-level CL leverages graph Laplacian based contrastive loss to learn clustering-friendly representations while cluster-level CL captures discriminative cluster representations incorporating neighbor information of each sample. Moreover, we utilize neighbor-aware pseudo-labels to reward the optimization of representation learning. The two steps can be alternatively trained to collaborate and benefit each other. Experiments on a range of well-known datasets demonstrate the superiority of our proposed GLCC over competitive baselines. 

AAAI 2023

GLCC: A General Framework for Graph-level Clustering

data mining & knowledge management (dmkm)

ml: clustering

social network analysis & community mining

dmkm: graph mining

machine learning (ml)

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-23 is the Thirty-Seventh AAAI Conference on Artificial Intelligence. The theme of this conference is to create collaborative bridges within and beyond AI. Like previous AAAI conferences, AAAI-23 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and two new activities: a Bridge Program and a Lab Program. Many of these activities are tailored to the theme of bridges and all are selected according to the highest standards, with additional programs for students and young researchers. 
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The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines.

poster

Mixed Integer programs (MIPs) are typically solved by the Branch-and-Bound algorithm. Recently, Learning to imitate fast approximations of the expert strong branching heuristic has gained attention due to its success in reducing the running time for solving MIPs. However, existing learning-to-branch methods assume that the entire training data is available in a single session of training. This assumption is often not true, and if the training data is supplied in continual fashion over time, existing techniques suffer from catastrophic forgetting. In this work, we study the hitherto unexplored paradigm of Lifelong Learning to Branch on Mixed Integer Programs. To mitigate catastrophic forgetting, we propose LIMIP, which is powered by the idea of modeling an MIP instance in the form of a bipartite graph, which we map to an embedding space using a bipartite Graph Attention Network. This rich embedding space avoids catastrophic forgetting through the application of knowledge distillation and elastic weight consolidation, wherein we learn the parameters key towards retaining efficacy and are therefore protected from significant drift. We evaluate LIMIP on a series of NP-hard problems and establish that in comparison to existing baselines, LIMIP is up to 50% better when confronted with lifelong learning

LIMIP: Lifelong Learning to solve Mixed Integer Programs

The recent prevalence of pretrained language models (PLMs) has dramatically shifted the paradigm of semantic parsing, where the mapping from natural language utterances to structured logical forms is now formulated as a Seq2Seq task. Despite the promising performance, previous PLM-based approaches often suffer from hallucination problems due to their negligence of the structural information contained in the sentence, which essentially constitutes the key semantics of the logical forms. Furthermore, most works treat PLM as a black box in which the generation process of the target logical form is hidden beneath the decoder modules, which greatly hinders the model's intrinsic interpretability. To address these two issues, we propose to incorporate the current PLMs with a hierarchical decoder network. By taking the first-principle structures as the semantic anchors, we propose two novel intermediate supervision tasks, namely Semantic Anchor Extraction and Semantic Anchor Alignment, for training the hierarchical decoders and probing the model intermediate representations in a self-adaptive manner alongside the fine-tuning process. We conduct intensive experiments on several semantic parsing benchmarks and demonstrate that our approach can consistently outperform the baselines. More importantly, by analyzing the intermediate representations of the hierarchical decoders, our approach also makes a huge step toward the interpretability of PLMs in the domain of semantic parsing. 

Unveiling the Black Box of PLMs with Semantic Anchors: Towards Interpretable Neural Semantic Parsing

In practice, Wearable Human Activity Recognition (WHAR) models usually face performance degradation on the new user due to user variance. Unsupervised domain adaptation (UDA) becomes the natural solution to cross-user WHAR under annotation scarcity. Existing UDA models usually align samples across domains without differentiation, which ignores the difference among samples. In this paper, we propose an unsupervised domain adaptation model with sample weight learning (SWL-Adapt) for cross-user WHAR. SWL-Adapt calculates sample weights according to the classification loss and domain discrimination loss of each sample with a parameterized network. We introduce the meta-optimization based update rule to learn this network end-to-end, which is guided by meta-classification loss on the selected pseudo-labeled target samples. Therefore, this network can fit a weighting function according to the cross-user WHAR task at hand, which is superior to existing sample differentiation rules fixed for special scenarios. Extensive experiments on three public WHAR datasets demonstrate that SWL-Adapt achieves the state-of-the-art performance on the cross-user WHAR task, outperforming the best baseline by an average of 3.1% and 5.3% in accuracy and macro F1 score, respectively.

SWL-Adapt: An Unsupervised Domain Adaptation Model with Sample Weight Learning for Cross-User Wearable Human Activity Recognition

Applying deep neural networks to 3D point cloud processing has demonstrated a rapid pace of advancement in those domains where 3D geometry information can greatly boost task performance, such as AR/VR, robotics, and autonomous driving. However, as the size of both the neural network model and 3D point cloud continues to scale, reducing the entailed computation and memory access overhead is a primary challenge to meet strict latency and energy constraints of practical applications. This paper proposes a new weight pruning technique for 3D point cloud based on spatial point distribution. We identify that particular groups of neighborhood voxels in 3D point cloud contribute more frequently to actual output features than others. Based on this observation, we propose to selectively prune less contributing groups of neighborhood voxels first to reduce the computation overhead while minimizing the impact on model accuracy. We apply our technique to three representative Sparse 3D Convolution libraries. Our technique reduces the inference latency by 1.60x on average and energy consumption by 1.74x on NVIDIA GV100 GPU with no accuracy loss.

Not All Neighbors Matter: Point Distribution-Aware Pruning for 3D Point Cloud

Retrosynthesis aided by artificial intelligence has been a very active and bourgeoning area of research, for its critical role in drug discovery as well as material science. Three categories of solutions, i.e., template-based, template-free, and semi-template methods, constitute mainstream solutions to this problem. In this paper, we focus on template-free methods which are known to be less bothered by the template generalization issue and the atom mapping challenge. Among several remaining problems regarding template-free methods, failing to conform to chemical rules is pronounced. To address the issue, we seek for a pre-training solution to empower the pre-trained model with chemical rules encoded. Concretely, we enforce the atom conservation rule via a molecule reconstruction pre-training task, and the reaction rule that dictates reaction centers via a reaction type guided contrastive pre-training task. In our empirical evaluation, the proposed pre-training solution substantially improves the single-step retrosynthesis accuracies in three downstream datasets.

Learning Chemical Rules of Retrosynthesis with Pre-training

Structure pruning is an effective method to compress and accelerate neural networks. While filter and channel pruning are preferable to other structure pruning methods in terms of realistic acceleration and hardware compatibility, pruning methods with a finer granularity, such as intra-channel pruning, are expected to be capable of yielding more compact and computationally efficient networks. Typical intra-channel pruning methods utilize a static and hand-crafted pruning granularity due to a large search space, which leaves room for improvement in their pruning performance. In this work, we introduce a novel structure pruning method, termed as dynamic structure pruning, to identify optimal pruning granularities for intra-channel pruning. In contrast to existing intra-channel pruning methods, the proposed method automatically optimizes dynamic pruning granularities in each layer while training deep neural networks. To achieve this, we propose a differentiable group learning method designed to efficiently learn a pruning granularity based on gradient-based learning of filter groups. The experimental results show that dynamic structure pruning achieves state-of-the-art pruning performance and better realistic acceleration on a GPU compared with channel pruning. In particular, it reduces the FLOPs of ResNet50 by 71.85% without accuracy degradation on the ImageNet dataset. Our code is available at https://github.com/irishev/DSP.

Dynamic Structure Pruning for Compressing CNNs

This paper investigates a new yet challenging problem called Reverse $k$-Maximum Inner Product Search (R$k$MIPS). Given a query (item) vector, a set of item vectors, and a set of user vectors, the problem of R$k$MIPS aims to find a set of user vectors whose inner products with the query vector are one of the $k$ largest among the query and item vectors. We propose the first subquadratic-time algorithm, i.e., Shifting-aware Asymmetric Hashing (SAH), to tackle the R$k$MIPS problem. To speed up the Maximum Inner Product Search (MIPS) on item vectors, we design a shifting-invariant asymmetric transformation and develop a novel sublinear-time Shifting-Aware Asymmetric Locality Sensitive Hashing (SA-ALSH) scheme. Furthermore, we devise a new blocking strategy based on the Cone-Tree to effectively prune user vectors (in a batch). We prove that SAH achieves a theoretical guarantee for solving the RMIPS problem. Experimental results on five real-world datasets show that SAH runs 4$\sim$8$\times$ faster than the state-of-the-art methods for R$k$MIPS while achieving F1-scores of over 90\%. The code is available at \url{https://github.com/HuangQiang/SAH}.

SAH: Shifting-aware Asymmetric Hashing for Reverse k-Maximum Inner Product Search

Error correction in automatic speech recognition (ASR) aims to correct those incorrect words in sentences generated by ASR models. Since recent ASR models usually have low word error rate (WER), to avoid affecting originally correct tokens, error correction models should only modify incorrect words, and therefore detecting incorrect words is important for error correction. Previous works on error correction either implicitly detect error words through target-source attention or CTC (connectionist temporal classification) loss, or explicitly locate specific deletion/substitution/insertion errors. However, implicit error detection does not provide clear signal about which tokens are incorrect and explicit error detection suffers from low detection accuracy. In this paper, we propose SoftCorrect with a soft error detection mechanism to avoid the limitations of both explicit and implicit error detection. Specifically, we first detect whether a token is correct or not through a probability produced by a dedicatedly designed language model, and then design a constrained CTC loss that only duplicates the detected incorrect tokens to let the decoder focus on the correction of error tokens. Compared with implicit error detection with CTC loss, SoftCorrect provides explicit signal about which words are incorrect and thus does not need to duplicate every token but only incorrect tokens; compared with explicit error detection, SoftCorrect does not detect specific deletion/substitution/insertion errors but just leaves it to CTC loss. Experiments on AISHELL-1 and Aidatatang datasets show that SoftCorrect achieves 26.1% and 9.4% CER reduction respectively, outperforming previous works by a large margin, while still enjoying fast speed of parallel generation.

SoftCorrect: Error Correction with Soft Detection for Automatic Speech Recognition

Robust training of neural networks has so far been developed in the context of white noise perturbations to limit their susceptibility to adversarial attacks. However, in applications neural networks need to be robust to a wider range of input perturbations, including contrast, brightness, and beyond. We here introduce the problem of training neural networks such that they are robust against a class of smooth intensity perturbations modelled by bias fields. We first develop an approach towards this goal based on a State-of-the-Art (SoA) robust training method utilising Interval Bound Propagation (IBP). We analyse the resulting algorithm and observe that IBP often produces very loose bounds for bias field perturbations, which may be detrimental to training. We propose an alternative approach based on Symbolic Interval Propagation (SIP), which usually results in significantly tighter bounds than IBP. We present RobNet, a tool implementing these approaches for bias field robust training. In experiments networks trained with the SIP-based approach achieved up to 31% higher certified robustness while also maintaining a better accuracy than networks trained with the IBP approach. 

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GLCC: A General Framework for Graph-level Clustering

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