Fanchen Bu

Federico Berto, Chuanbo Hua, Junyoung Park et al. · pku

Combinatorial optimization (CO) is fundamental to several real-world applications, from logistics and scheduling to hardware design and resource allocation. Deep reinforcement learning (RL) has recently shown significant benefits in solving CO problems, reducing reliance on domain expertise and improving computational efficiency. However, the absence of a unified benchmarking framework leads to inconsistent evaluations, limits reproducibility, and increases engineering overhead, raising barriers to adoption for new researchers. To address these challenges, we introduce RL4CO, a unified and extensive benchmark with in-depth library coverage of 27 CO problem environments and 23 state-of-the-art baselines. Built on efficient software libraries and best practices in implementation, RL4CO features modularized implementation and flexible configurations of diverse environments, policy architectures, RL algorithms, and utilities with extensive documentation. RL4CO helps researchers build on existing successes while exploring and developing their own designs, facilitating the entire research process by decoupling science from heavy engineering. We finally provide extensive benchmark studies to inspire new insights and future work. RL4CO has already attracted numerous researchers in the community and is open-sourced at https://github.com/ai4co/rl4co.

Soo Yong Lee, Fanchen Bu, Jaemin Yoo et al.

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the weight of its propagation. Despite their popularity, the discussion on deep graph attention and its unique challenges has been limited. In this work, we investigate some problematic phenomena related to deep graph attention, including vulnerability to over-smoothed features and smooth cumulative attention. Through theoretical and empirical analyses, we show that various attention-based GNNs suffer from these problems. Motivated by our findings, we propose AEROGNN, a novel GNN architecture designed for deep graph attention. AERO-GNN provably mitigates the proposed problems of deep graph attention, which is further empirically demonstrated with (a) its adaptive and less smooth attention functions and (b) higher performance at deep layers (up to 64). On 9 out of 12 node classification benchmarks, AERO-GNN outperforms the baseline GNNs, highlighting the advantages of deep graph attention. Our code is available at https://github.com/syleeheal/AERO-GNN.

Hyeonsoo Jo, Fanchen Bu, Kijung Shin

How can we find meaningful clusters in a graph robustly against noise edges? Graph clustering (i.e., dividing nodes into groups of similar ones) is a fundamental problem in graph analysis with applications in various fields. Recent studies have demonstrated that graph neural network (GNN) based approaches yield promising results for graph clustering. However, we observe that their performance degenerates significantly on graphs with noise edges, which are prevalent in practice. In this work, we propose MetaGC for robust GNN-based graph clustering. MetaGC employs a decomposable clustering loss function, which can be rephrased as a sum of losses over node pairs. We add a learnable weight to each node pair, and MetaGC adaptively adjusts the weights of node pairs using meta-weighting so that the weights of meaningful node pairs increase and the weights of less-meaningful ones (e.g., noise edges) decrease. We show empirically that MetaGC learns weights as intended and consequently outperforms the state-of-the-art GNN-based competitors, even when they are equipped with separate denoising schemes, on five real-world graphs under varying levels of noise. Our code and datasets are available at https://github.com/HyeonsooJo/MetaGC.

Fanchen Bu, Dong Eui Chang

The optimization with orthogonality has been shown useful in training deep neural networks (DNNs). To impose orthogonality on DNNs, both computational efficiency and stability are important. However, existing methods utilizing Riemannian optimization or hard constraints can only ensure stability while those using soft constraints can only improve efficiency. In this paper, we propose a novel method, named Feedback Gradient Descent (FGD), to our knowledge, the first work showing high efficiency and stability simultaneously. FGD induces orthogonality based on the simple yet indispensable Euler discretization of a continuous-time dynamical system on the tangent bundle of the Stiefel manifold. In particular, inspired by a numerical integration method on manifolds called Feedback Integrators, we propose to instantiate it on the tangent bundle of the Stiefel manifold for the first time. In the extensive image classification experiments, FGD comprehensively outperforms the existing state-of-the-art methods in terms of accuracy, efficiency, and stability.

Sunwoo Kim, Shinhwan Kang, Fanchen Bu et al.

Hypergraphs are marked by complex topology, expressing higher-order interactions among multiple nodes with hyperedges, and better capturing the topology is essential for effective representation learning. Recent advances in generative self-supervised learning (SSL) suggest that hypergraph neural networks learned from generative self supervision have the potential to effectively encode the complex hypergraph topology. Designing a generative SSL strategy for hypergraphs, however, is not straightforward. Questions remain with regard to its generative SSL task, connection to downstream tasks, and empirical properties of learned representations. In light of the promises and challenges, we propose a novel generative SSL strategy for hypergraphs. We first formulate a generative SSL task on hypergraphs, hyperedge filling, and highlight its theoretical connection to node classification. Based on the generative SSL task, we propose a hypergraph SSL method, HypeBoy. HypeBoy learns effective general-purpose hypergraph representations, outperforming 16 baseline methods across 11 benchmark datasets.

Sunwoo Kim, Soo Yong Lee, Fanchen Bu et al.

Graph autoencoders (Graph-AEs) learn representations of given graphs by aiming to accurately reconstruct them. A notable application of Graph-AEs is graph-level anomaly detection (GLAD), whose objective is to identify graphs with anomalous topological structures and/or node features compared to the majority of the graph population. Graph-AEs for GLAD regard a graph with a high mean reconstruction error (i.e. mean of errors from all node pairs and/or nodes) as anomalies. Namely, the methods rest on the assumption that they would better reconstruct graphs with similar characteristics to the majority. We, however, report non-trivial counter-examples, a phenomenon we call reconstruction flip, and highlight the limitations of the existing Graph-AE-based GLAD methods. Specifically, we empirically and theoretically investigate when this assumption holds and when it fails. Through our analyses, we further argue that, while the reconstruction errors for a given graph are effective features for GLAD, leveraging the multifaceted summaries of the reconstruction errors, beyond just mean, can further strengthen the features. Thus, we propose a novel and simple GLAD method, named MUSE. The key innovation of MUSE involves taking multifaceted summaries of reconstruction errors as graph features for GLAD. This surprisingly simple method obtains SOTA performance in GLAD, performing best overall among 14 methods across 10 datasets.

Soo Yong Lee, Sunwoo Kim, Fanchen Bu et al.

How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that align with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.

Fanchen Bu, Hyeonsoo Jo, Soo Yong Lee et al.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

Hyeonsoo Jo, Hyunjin Hwang, Fanchen Bu et al.

Adversarial attacks are allegedly unnoticeable. Prior studies have designed attack noticeability measures on graphs, primarily using statistical tests to compare the topology of original and (possibly) attacked graphs. However, we observe two critical limitations in the existing measures. First, because the measures rely on simple rules, attackers can readily enhance their attacks to bypass them, reducing their attack "noticeability" and, yet, maintaining their attack performance. Second, because the measures naively leverage global statistics, such as degree distributions, they may entirely overlook attacks until severe perturbations occur, letting the attacks be almost "totally unnoticeable." To address the limitations, we introduce HideNSeek, a learnable measure for graph attack noticeability. First, to mitigate the bypass problem, HideNSeek learns to distinguish the original and (potential) attack edges using a learnable edge scorer (LEO), which scores each edge on its likelihood of being an attack. Second, to mitigate the overlooking problem, HideNSeek conducts imbalance-aware aggregation of all the edge scores to obtain the final noticeability score. Using six real-world graphs, we empirically demonstrate that HideNSeek effectively alleviates the observed limitations, and LEO (i.e., our learnable edge scorer) outperforms eleven competitors in distinguishing attack edges under five different attack methods. For an additional application, we show that LEO boost the performance of robust GNNs by removing attack-like edges.

Hyunjin Choo, Fanchen Bu, Hyunjin Hwang et al.

Higher-order interactions (HOIs) in complex systems, such as scientific collaborations, multi-protein complexes, and multi-user communications, are commonly modeled as hypergraphs, where each hyperedge (i.e., a subset of nodes) represents an HOI among the nodes. Given a hypergraph, hyperedge prediction aims to identify hyperedges that are either missing or likely to form in the future, and it has broad applications, including recommending interest-based social groups, predicting collaborations, and uncovering functional complexes in biological systems. However, the vast search space of hyperedge candidates (i.e., all possible subsets of nodes) poses a significant computational challenge, making naive exhaustive search infeasible. As a result, existing approaches rely on either heuristic sampling to obtain constrained candidate sets or ungrounded assumptions on hypergraph structure to select promising hyperedges. In this work, we propose HyperSearch, a search-based algorithm for hyperedge prediction that efficiently evaluates unconstrained candidate sets, by incorporating two key components: (1) an empirically grounded scoring function derived from observations in real-world hypergraphs and (2) an efficient search mechanism, where we derive and use an anti-monotonic upper bound of the original scoring function (which is not antimonotonic) to prune the search space. This pruning comes with theoretical guarantees, ensuring that discarded candidates are never better than the kept ones w.r.t. the original scoring function. In extensive experiments on 10 real-world hypergraphs across five domains, HyperSearch consistently outperforms state-of-the-art baselines, achieving higher accuracy in predicting new (i.e., not in the training set) hyperedges.

Fanchen Bu, Geon Lee, Minyoung Choe et al.

Group interactions occur in various real-world contexts, e.g., co-authorship, email communication, and online Q&A. In each group, there is often a particularly significant member, around whom the group is formed. Examples include the first or last author of a paper, the sender of an email, and the questioner in a Q&A session. In this work, we discuss the existence of such individuals in real-world group interactions. We call such individuals group anchors and study the problem of identifying them. First, we introduce the concept of group anchors and the identification problem. Then, we discuss our observations on group anchors in real-world group interactions. Based on our observations, we develop AnchorRadar, a fast and effective method for group anchor identification under realistic settings with label scarcity, i.e., when only a few groups have known anchors. AnchorRadar is a semi-supervised method using information from groups both with and without known group anchors. Finally, through extensive experiments on thirteen real-world datasets, we demonstrate the empirical superiority of AnchorRadar over various baselines w.r.t. accuracy and efficiency. In most cases, AnchorRadar achieves higher accuracy in group anchor identification than all the baselines, while using 10.2$\times$ less training time than the fastest baseline and 43.6$\times$ fewer learnable parameters than the most lightweight baseline on average.

Fanchen Bu, Kijung Shin

Geometric learning has emerged as a powerful paradigm for modeling non-Euclidean data, especially graph-structured ones, with applications spanning social networks, molecular structures, knowledge graphs, and recommender systems. While Nvidia's CUDA-enabled graphics processing units (GPUs) largely dominate the hardware landscape, emerging accelerators such as Intel's Gaudi Habana Processing Units (HPUs) offer competitive performance and energy efficiency. However, the usage of such non-CUDA processing units requires significant engineering effort and novel software adaptations. In this work, we present our experiences porting PyTorch-based geometric learning frameworks to Gaudi-v2 HPUs. We introduce a collection of core utilities that restore essential operations (e.g., scatter, sparse indexing, k-nearest neighbors) on Gaudi-v2 HPUs, and we consolidate sixteen guided tutorials and eleven real-world examples with diagnostic analyses of encountered failures and detailed workarounds. We collect all our experiences into a publicly accessible GitHub repository. Our contributions lower the barrier for researchers to experiment with geometric-learning algorithms and models on non-CUDA hardware, providing a foundation for further optimization and cross-platform portability.

Fanchen Bu, Kijung Shin

In unsupervised combinatorial optimization (UCO), during training, one aims to have continuous decisions that are promising in a probabilistic sense for each training instance, which enables end-to-end training on initially discrete and non-differentiable problems. At the test time, for each test instance, starting from continuous decisions, derandomization is typically applied to obtain the final deterministic decisions. Researchers have developed more and more powerful test-time derandomization schemes to enhance the empirical performance and the theoretical guarantee of UCO methods. However, we notice a misalignment between training and testing in the existing UCO methods. Consequently, lower training losses do not necessarily entail better post-derandomization performance, even for the training instances without any data distribution shift. Empirically, we indeed observe such undesirable cases. We explore a preliminary idea to better align training and testing in UCO by including a differentiable version of derandomization into training. Our empirical exploration shows that such an idea indeed improves training-test alignment, but also introduces nontrivial challenges into training.

Langzhang Liang, Fanchen Bu, Zixing Song et al.

The message-passing paradigm of Graph Neural Networks often struggles with exchanging information across distant nodes typically due to structural bottlenecks in certain graph regions, a limitation known as \textit{over-squashing}. To reduce such bottlenecks, \textit{graph rewiring}, which modifies graph topology, has been widely used. However, existing graph rewiring techniques often overlook the need to preserve critical properties of the original graph, e.g., \textit{spectral properties}. Moreover, many approaches rely on increasing edge count to improve connectivity, which introduces significant computational overhead and exacerbates the risk of over-smoothing. In this paper, we propose a novel graph rewiring method that leverages \textit{spectrum-preserving} graph \textit{sparsification}, for mitigating over-squashing. Our method generates graphs with enhanced connectivity while maintaining sparsity and largely preserving the original graph spectrum, effectively balancing structural bottleneck reduction and graph property preservation. Experimental results validate the effectiveness of our approach, demonstrating its superiority over strong baseline methods in classification accuracy and retention of the Laplacian spectrum.

Hyeonsoo Jo, Jongha Lee, Fanchen Bu et al.

Time-evolving graphs, such as social and citation networks, often contain noise that distorts structural and temporal patterns, adversely affecting downstream tasks, such as node classification. Existing purification methods focus on static graphs, limiting their ability to account for critical temporal dependencies in dynamic graphs. In this work, we propose TiGer (Time-evolving Graph purifier), a self-supervised method explicitly designed for time-evolving graphs. TiGer assigns two different sub-scores to edges using (1) self-attention for capturing long-term contextual patterns shaped by both adjacent and distant past events of varying significance and (2) statistical distance measures for detecting inconsistency over a short-term period. These sub-scores are used to identify and filter out suspicious (i.e., noise-like) edges through an ensemble strategy, ensuring robustness without requiring noise labels. Our experiments on five real-world datasets show TiGer filters out noise with up to 10.2% higher accuracy and improves node classification performance by up to 5.3%, compared to state-of-the-art methods.

Junghun Lee, Hyunju Kim, Fanchen Bu et al.

In social networks, people influence each other through social links, which can be represented as propagation among nodes in graphs. Influence minimization (IMIN) is the problem of manipulating the structures of an input graph (e.g., removing edges) to reduce the propagation among nodes. IMIN can represent time-critical real-world applications, such as rumor blocking, but IMIN is theoretically difficult and computationally expensive. Moreover, the discrete nature of IMIN hinders the usage of powerful machine learning techniques, which requires differentiable computation. In this work, we propose DiffIM, a novel method for IMIN with two differentiable schemes for acceleration: (1) surrogate modeling for efficient influence estimation, which avoids time-consuming simulations (e.g., Monte Carlo), and (2) the continuous relaxation of decisions, which avoids the evaluation of individual discrete decisions (e.g., removing an edge). We further propose a third accelerating scheme, gradient-driven selection, that chooses edges instantly based on gradients without optimization (spec., gradient descent iterations) on each test instance. Through extensive experiments on real-world graphs, we show that each proposed scheme significantly improves speed with little (or even no) IMIN performance degradation. Our method is Pareto-optimal (i.e., no baseline is faster and more effective than it) and typically several orders of magnitude (spec., up to 15,160X) faster than the most effective baseline while being more effective.

Fanchen Bu, Dong Eui Chang

Experience replay enables online reinforcement learning agents to store and reuse the previous experiences of interacting with the environment. In the original method, the experiences are sampled and replayed uniformly at random. A prior work called prioritized experience replay was developed where experiences are prioritized, so as to replay experiences seeming to be more important more frequently. In this paper, we develop a method called double-prioritized state-recycled (DPSR) experience replay, prioritizing the experiences in both training stage and storing stage, as well as replacing the experiences in the memory with state recycling to make the best of experiences that seem to have low priorities temporarily. We used this method in Deep Q-Networks (DQN), and achieved a state-of-the-art result, outperforming the original method and prioritized experience replay on many Atari games.