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Determining the optimal size of a neural network is critical, as it directly impacts runtime performance and memory usage. Pruning is a well-established model compression technique that reduces the size of neural networks while mathematically guaranteeing accuracy preservation. However, many recent pruning methods overlook the global contributions of individual model components, making it difficult to ensure that a pruned model meets the desired dataset and performance requirements. To address these challenges, we developed a new pruning algorithm, MPruner, that leverages mutual information through vector similarity. MPruner utilizes layer clustering with the Centered Kernel Alignment (CKA) similarity metric, allowing us to incorporate global information from the neural network for more precise and efficient layer-wise pruning. We evaluated MPruner across various architectures and configurations, demonstrating its versatility and providing practical guidelines. MPruner achieved up to a 50% reduction in parameters and memory usage for CNN and transformer-based models, with minimal to no loss in accuracy.

We revisit a simple idea for machine learning on graphs, where a random walk on a graph produces a machine-readable record, and this record is processed by a deep neural network to directly make vertex-level or graph-level predictions. We refer to these stochastic machines as random walk neural networks, and show that we can design them to be isomorphism invariant while capable of universal approximation of graph functions in probability. A useful finding is that almost any kind of record of random walk guarantees probabilistic invariance as long as the vertices are anonymized. This enables us to record random walks in plain text and adopt a language model to read these text records to solve graph tasks. We further establish a parallelism to message passing neural networks using tools from Markov chain theory, and show that over-smoothing in message passing is alleviated by construction in random walk neural networks, while over-squashing manifests as probabilistic under-reaching. We show that random walk neural networks based on pre-trained language models can solve several hard problems on graphs, such as separating strongly regular graphs where the 3-WL test fails, counting substructures, and transductive classification on arXiv citation network without training. Code is available at https://github.com/jw9730/random-walk., Comment: 41 pages, 11 figures

Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches, these methods struggle to show statistically significant gains in predictive performance. Recent work have thus instead proposed 3D conformer-based pretraining under the task of denoising, which led to promising results. During downstream finetuning, however, models trained with 3D conformers require accurate atom-coordinates of previously unseen molecules, which are computationally expensive to acquire at scale. In light of this limitation, we propose D&D, a self-supervised molecular representation learning framework that pretrains a 2D graph encoder by distilling representations from a 3D denoiser. With denoising followed by cross-modal knowledge distillation, our approach enjoys use of knowledge obtained from denoising as well as painless application to downstream tasks with no access to accurate conformers. Experiments on real-world molecular property prediction datasets show that the graph encoder trained via D&D can infer 3D information based on the 2D graph and shows superior performance and label-efficiency against other baselines., Comment: 16 pages, 5 figures

We present a novel framework to overcome the limitations of equivariant architectures in learning functions with group symmetries. In contrary to equivariant architectures, we use an arbitrary base model such as an MLP or a transformer and symmetrize it to be equivariant to the given group by employing a small equivariant network that parameterizes the probabilistic distribution underlying the symmetrization. The distribution is end-to-end trained with the base model which can maximize performance while reducing sample complexity of symmetrization. We show that this approach ensures not only equivariance to given group but also universal approximation capability in expectation. We implement our method on various base models, including patch-based transformers that can be initialized from pretrained vision transformers, and test them for a wide range of symmetry groups including permutation and Euclidean groups and their combinations. Empirical tests show competitive results against tailored equivariant architectures, suggesting the potential for learning equivariant functions for diverse groups using a non-equivariant universal base architecture. We further show evidence of enhanced learning in symmetric modalities, like graphs, when pretrained from non-symmetric modalities, like vision. Code is available at https://github.com/jw9730/lps., Comment: 32 pages, 11 figures

Deep Reinforcement Learning (DRL) has exhibited efficacy in resolving the Local Path Planning (LPP) problem. However, such application in the real world is immensely limited due to the deficient training efficiency and generalization capability of DRL. To alleviate these two issues, a solution named Color is proposed, which consists of an Actor-Sharer-Learner (ASL) training framework and a mobile robot-oriented simulator Sparrow. Specifically, the ASL intends to improve the training efficiency of DRL algorithms. It employs a Vectorized Data Collection (VDC) mode to expedite data acquisition, decouples the data collection from model optimization by multithreading, and partially connects the two procedures by harnessing a Time Feedback Mechanism (TFM) to evade data underuse or overuse. Meanwhile, the Sparrow simulator utilizes a 2D grid-based world, simplified kinematics, and conversion-free data flow to achieve a lightweight design. The lightness facilitates vectorized diversity, allowing diversified simulation setups across extensive copies of the vectorized environments, resulting in a notable enhancement in the generalization capability of the DRL algorithm being trained. Comprehensive experiments, comprising 57 DRL benchmark environments, 32 simulated and 36 real-world LPP scenarios, have been conducted to corroborate the superiority of our method in terms of efficiency and generalization. The code and the video of this paper are accessible at https://github.com/XinJingHao/Color., Comment: 15 pages

Dense prediction tasks are a fundamental class of problems in computer vision. As supervised methods suffer from high pixel-wise labeling cost, a few-shot learning solution that can learn any dense task from a few labeled images is desired. Yet, current few-shot learning methods target a restricted set of tasks such as semantic segmentation, presumably due to challenges in designing a general and unified model that is able to flexibly and efficiently adapt to arbitrary tasks of unseen semantics. We propose Visual Token Matching (VTM), a universal few-shot learner for arbitrary dense prediction tasks. It employs non-parametric matching on patch-level embedded tokens of images and labels that encapsulates all tasks. Also, VTM flexibly adapts to any task with a tiny amount of task-specific parameters that modulate the matching algorithm. We implement VTM as a powerful hierarchical encoder-decoder architecture involving ViT backbones where token matching is performed at multiple feature hierarchies. We experiment VTM on a challenging variant of Taskonomy dataset and observe that it robustly few-shot learns various unseen dense prediction tasks. Surprisingly, it is competitive with fully supervised baselines using only 10 labeled examples of novel tasks (0.004% of full supervision) and sometimes outperforms using 0.1% of full supervision. Codes are available at https://github.com/GitGyun/visual_token_matching.

To overcome the quadratic cost of self-attention, recent works have proposed various sparse attention modules, most of which fall under one of two groups: 1) sparse attention under a hand-crafted patterns and 2) full attention followed by a sparse variant of softmax such as $\alpha$-entmax. Unfortunately, the first group lacks adaptability to data while the second still requires quadratic cost in training. In this work, we propose SBM-Transformer, a model that resolves both problems by endowing each attention head with a mixed-membership Stochastic Block Model (SBM). Then, each attention head data-adaptively samples a bipartite graph, the adjacency of which is used as an attention mask for each input. During backpropagation, a straight-through estimator is used to flow gradients beyond the discrete sampling step and adjust the probabilities of sampled edges based on the predictive loss. The forward and backward cost are thus linear to the number of edges, which each attention head can also choose flexibly based on the input. By assessing the distribution of graphs, we theoretically show that SBM-Transformer is a universal approximator for arbitrary sequence-to-sequence functions in expectation. Empirical evaluations under the LRA and GLUE benchmarks demonstrate that our model outperforms previous efficient variants as well as the original Transformer with full attention. Our implementation can be found in https://github.com/sc782/SBM-Transformer ., Comment: 19 pages, 8 figures

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with token embeddings, and feed them to a Transformer. With an appropriate choice of token embeddings, we prove that this approach is theoretically at least as expressive as an invariant graph network (2-IGN) composed of equivariant linear layers, which is already more expressive than all message-passing Graph Neural Networks (GNN). When trained on a large-scale graph dataset (PCQM4Mv2), our method coined Tokenized Graph Transformer (TokenGT) achieves significantly better results compared to GNN baselines and competitive results compared to Transformer variants with sophisticated graph-specific inductive bias. Our implementation is available at https://github.com/jw9730/tokengt., Comment: 26 pages, 8 figures

Generic Event Boundary Detection (GEBD) is a newly suggested video understanding task that aims to find one level deeper semantic boundaries of events. Bridging the gap between natural human perception and video understanding, it has various potential applications, including interpretable and semantically valid video parsing. Still at an early development stage, existing GEBD solvers are simple extensions of relevant video understanding tasks, disregarding GEBD's distinctive characteristics. In this paper, we propose a novel framework for unsupervised/supervised GEBD, by using the Temporal Self-similarity Matrix (TSM) as the video representation. The new Recursive TSM Parsing (RTP) algorithm exploits local diagonal patterns in TSM to detect boundaries, and it is combined with the Boundary Contrastive (BoCo) loss to train our encoder to generate more informative TSMs. Our framework can be applied to both unsupervised and supervised settings, with both achieving state-of-the-art performance by a huge margin in GEBD benchmark. Especially, our unsupervised method outperforms the previous state-of-the-art "supervised" model, implying its exceptional efficacy.

The purpose of this paper is to examine the opportunities and barriers of Integrated Human-Machine Intelligence (IHMI) in civil engineering. Integrating artificial intelligence's high efficiency and repeatability with humans' adaptability in various contexts can advance timely and reliable decision-making during civil engineering projects and emergencies. Successful cases in other domains, such as biomedical science, healthcare, and transportation, showed the potential of IHMI in data-driven, knowledge-based decision-making in numerous civil engineering applications. However, whether the industry and academia are ready to embrace the era of IHMI and maximize its benefit to the industry is still questionable due to several knowledge gaps. This paper thus calls for future studies in exploring the value, method, and challenges of applying IHMI in civil engineering. Our systematic review of the literature and motivating cases has identified four knowledge gaps in achieving effective IHMI in civil engineering. First, it is unknown what types of tasks in the civil engineering domain can be assisted by AI and to what extent. Second, the interface between human and AI in civil engineering-related tasks need more precise and formal definition. Third, the barriers that impede collecting detailed behavioral data from humans and contextual environments deserve systematic classification and prototyping. Lastly, it is unknown what expected and unexpected impacts will IHMI have on the AEC industry and entrepreneurship. Analyzing these knowledge gaps led to a list of identified research questions. This paper will lay the foundation for identifying relevant studies to form a research roadmap to address the four knowledge gaps identified.