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Yongyi Yang

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9 papers

2 author rows

ICLR Conference 2025 Conference Paper

ICLR: In-Context Learning of Representations

Core Francisco Park
Andrew Lee 0001
Ekdeep Singh Lubana
Yongyi Yang
Maya Okawa
Kento Nishi
Martin Wattenberg
Hidenori Tanaka

Recent work demonstrates that structured patterns in pretraining data influence how representations of different concepts are organized in a large language model’s (LLM) internals, with such representations then driving downstream abilities. Given the open-ended nature of LLMs, e.g., their ability to in-context learn novel tasks, we ask whether models can flexibly alter their semantically grounded organization of concepts. Specifically, if we provide in-context exemplars wherein a concept plays a different role than what the pretraining data suggests, can models infer these novel semantics and reorganize representations in accordance with them? To answer this question, we define a toy “graph tracing” task wherein the nodes of the graph are referenced via concepts seen during training (e.g., apple, bird, etc.), and the connectivity of the graph is defined via some predefined structure (e.g., a square grid). Given exemplars that indicate traces of random walks on the graph, we analyze intermediate representations of the model and find that as the amount of context is scaled, there is a sudden re-organization of representations according to the graph’s structure. Further, we find that when reference concepts have correlations in their semantics (e.g., Monday, Tuesday, etc.), the context-specified graph structure is still present in the representations, but is unable to dominate the pretrained structure. To explain these results, we analogize our task to energy minimization for a predefined graph topology, which shows getting non-trivial performance on the task requires for the model to infer a connected component. Overall, our findings indicate context-size may be an underappreciated scaling axis that can flexibly re-organize model representations, unlocking novel capabilities.

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JMLR Journal 2025 Journal Article

Implicit vs Unfolded Graph Neural Networks

Yongyi Yang
Tang Liu
Yangkun Wang
zengfeng Huang
David Wipf

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient / scalable modeling of long-range dependencies across nodes while avoiding unintended consequences such oversmoothed node representations, sensitivity to spurious edges, or inadequate model interpretability. To address these and other issues, two separate strategies have recently been proposed, namely implicit and unfolded GNNs (that we abbreviate to IGNN and UGNN respectively). The former treats node representations as the fixed points of a deep equilibrium model that can efficiently facilitate arbitrary implicit propagation across the graph with a fixed memory footprint. In contrast, the latter involves treating graph propagation as unfolded descent iterations as applied to some graph-regularized energy function. While motivated differently, in this paper we carefully quantify explicit situations where the solutions they produce are equivalent and others where their properties sharply diverge. This includes the analysis of convergence, representational capacity, and interpretability. In support of this analysis, we also provide empirical head-to-head comparisons across multiple synthetic and public real-world node classification benchmarks. These results indicate that while IGNN is substantially more memory-efficient, UGNN models support unique, integrated graph attention mechanisms and propagation rules that can achieve strong node classification accuracy across disparate regimes such as adversarially-perturbed graphs, graphs with heterophily, and graphs involving long-range dependencies. [abs] [ pdf ][ bib ] &copy JMLR 2025. ( edit, beta )

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ICLR Conference 2025 Conference Paper

Swing-by Dynamics in Concept Learning and Compositional Generalization

Yongyi Yang
Core Francisco Park
Ekdeep Singh Lubana
Maya Okawa
Wei Hu
Hidenori Tanaka

Prior work has shown that text-conditioned diffusion models can learn to identify and manipulate primitive concepts underlying a compositional data-generating process, enabling generalization to entirely novel, out-of-distribution compositions. Beyond performance evaluations, these studies develop a rich empirical phenomenology of learning dynamics, showing that models generalize sequentially, respecting the compositional hierarchy of the data-generating process. Moreover, concept-centric structures within the data significantly influence a model's speed of learning the ability to manipulate a concept. In this paper, we aim to better characterize these empirical results from a theoretical standpoint. Specifically, we propose an abstraction of prior work's compositional generalization problem by introducing a structured identity mapping (SIM) task, where a model is trained to learn the identity mapping on a Gaussian mixture with structurally organized centroids. We mathematically analyze the learning dynamics of neural networks trained on this SIM task and show that, despite its simplicity, SIM's learning dynamics capture and help explain key empirical observations on compositional generalization with diffusion models identified in prior work. Our theory also offers several new insights---e.g., we find a novel mechanism for non-monotonic learning dynamics of test loss in early phases of training. We validate our new predictions by training a text-conditioned diffusion model, bridging our simplified framework and complex generative models. Overall, this work establishes the SIM task as a meaningful theoretical abstraction of concept learning dynamics in modern generative models.

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ICML Conference 2023 Conference Paper

Are Neurons Actually Collapsed? On the Fine-Grained Structure in Neural Representations

Yongyi Yang
Jacob Steinhardt
Wei Hu

Recent work has observed an intriguing "Neural Collapse” phenomenon in well-trained neural networks, where the last-layer representations of training samples with the same label collapse into each other. This appears to suggest that the last-layer representations are completely determined by the labels, and do not depend on the intrinsic structure of input distribution. We provide evidence that this is not a complete description, and that the apparent collapse hides important fine-grained structure in the representations. Specifically, even when representations apparently collapse, the small amount of remaining variation can still faithfully and accurately captures the intrinsic structure of input distribution. As an example, if we train on CIFAR-10 using only 5 coarse-grained labels (by combining two classes into one super-class) until convergence, we can reconstruct the original 10-class labels from the learned representations via unsupervised clustering. The reconstructed labels achieve 93% accuracy on the CIFAR-10 test set, nearly matching the normal CIFAR-10 accuracy for the same architecture. We also provide an initial theoretical result showing the fine-grained representation structure in a simplified synthetic setting. Our results show concretely how the structure of input data can play a significant role in determining the fine-grained structure of neural representations, going beyond what Neural Collapse predicts.

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NeurIPS Conference 2023 Conference Paper

Going Beyond Linear Mode Connectivity: The Layerwise Linear Feature Connectivity

Zhanpeng Zhou
Yongyi Yang
Xiaojiang Yang
Junchi Yan
Wei Hu

Recent work has revealed many intriguing empirical phenomena in neural network training, despite the poorly understood and highly complex loss landscapes and training dynamics. One of these phenomena, Linear Mode Connectivity (LMC), has gained considerable attention due to the intriguing observation that different solutions can be connected by a linear path in the parameter space while maintaining near-constant training and test losses. In this work, we introduce a stronger notion of linear connectivity, Layerwise Linear Feature Connectivity (LLFC), which says that the feature maps of every layer in different trained networks are also linearly connected. We provide comprehensive empirical evidence for LLFC across a wide range of settings, demonstrating that whenever two trained networks satisfy LMC (via either spawning or permutation methods), they also satisfy LLFC in nearly all the layers. Furthermore, we delve deeper into the underlying factors contributing to LLFC, which reveal new insights into the permutation approaches. The study of LLFC transcends and advances our understanding of LMC by adopting a feature-learning perspective.

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NeurIPS Conference 2022 Conference Paper

Descent Steps of a Relation-Aware Energy Produce Heterogeneous Graph Neural Networks

Hongjoon Ahn
Yongyi Yang
Quan Gan
Taesup Moon
David P Wipf

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle to balance between resisting the oversmoothing that may occur in deep models, and capturing long-range dependencies of graph structured data. Moreover, the complexity of this trade-off is compounded in the heterogeneous graph case due to the disparate heterophily relationships between nodes of different types. To address these issues, we propose a novel heterogeneous GNN architecture in which layers are derived from optimization steps that descend a novel relation-aware energy function. The corresponding minimizer is fully differentiable with respect to the energy function parameters, such that bilevel optimization can be applied to effectively learn a functional form whose minimum provides optimal node representations for subsequent classification tasks. In particular, this methodology allows us to model diverse heterophily relationships between different node types while avoiding oversmoothing effects. Experimental results on 8 heterogeneous graph benchmarks demonstrates that our proposed method can achieve competitive node classification accuracy.

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NeurIPS Conference 2022 Conference Paper

Transformers from an Optimization Perspective

Yongyi Yang
zengfeng Huang
David P Wipf

Deep learning models such as the Transformer are often constructed by heuristics and experience. To provide a complementary foundation, in this work we study the following problem: Is it possible to find an energy function underlying the Transformer model, such that descent steps along this energy correspond with the Transformer forward pass? By finding such a function, we can reinterpret Transformers as the unfolding of an interpretable optimization process. This unfolding perspective has been frequently adopted in the past to elucidate more straightforward deep models such as MLPs and CNNs; however, it has thus far remained elusive obtaining a similar equivalence for more complex models with self-attention mechanisms like the Transformer. To this end, we first outline several major obstacles before providing companion techniques to at least partially address them, demonstrating for the first time a close association between energy function minimization and deep layers with self-attention. This interpretation contributes to our intuition and understanding of Transformers, while potentially laying the ground-work for new model designs.

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ICLR Conference 2022 Conference Paper

Why Propagate Alone? Parallel Use of Labels and Features on Graphs

Yangkun Wang
Jiarui Jin
Weinan Zhang 0001
Yongyi Yang
Jiuhai Chen
Quan Gan
Yong Yu 0001
Zheng Zhang 0001

One of the challenges of graph-based semi-supervised learning over ordinary supervised learning for classification tasks lies in label utilization. The direct use of ground-truth labels in graphs for training purposes can result in a parametric model learning trivial degenerate solutions (e.g., an identity mapping from input to output). In addressing this issue, a label trick has recently been proposed in the literature and applied to a wide range of graph neural network (GNN) architectures, achieving state-of-the-art results on various datasets. The essential idea is to randomly split the observed labels on the graph and use a fraction of them as input to the model (along with original node features), and predict the remaining fraction. Despite its success in enabling GNNs to propagate features and labels simultaneously, this approach has never been analyzed from a theoretical perspective, nor fully explored across certain natural use cases. In this paper, we demonstrate that under suitable settings, this stochastic trick can be reduced to a more interpretable deterministic form, allowing us to better explain its behavior, including an emergent regularization effect, and motivate broader application scenarios. Our experimental results corroborate these analyses while also demonstrating improved node classification performance applying the label trick in new domains.

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ICML Conference 2021 Conference Paper

Graph Neural Networks Inspired by Classical Iterative Algorithms

Yongyi Yang
Tang Liu
Yangkun Wang
Jinjing Zhou
Quan Gan
Zhewei Wei
Zheng Zhang 0001
Zengfeng Huang

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e. g. , as can occur as a result of graph heterophily or adversarial attacks. To at least partially address these issues within a simple transparent framework, we consider a new family of GNN layers designed to mimic and integrate the update rules of two classical iterative algorithms, namely, proximal gradient descent and iterative reweighted least squares (IRLS). The former defines an extensible base GNN architecture that is immune to oversmoothing while nonetheless capturing long-range dependencies by allowing arbitrary propagation steps. In contrast, the latter produces a novel attention mechanism that is explicitly anchored to an underlying end-to-end energy function, contributing stability with respect to edge uncertainty. When combined we obtain an extremely simple yet robust model that we evaluate across disparate scenarios including standardized benchmarks, adversarially-perturbated graphs, graphs with heterophily, and graphs involving long-range dependencies. In doing so, we compare against SOTA GNN approaches that have been explicitly designed for the respective task, achieving competitive or superior node classification accuracy. Our code is available at https: //github. com/FFTYYY/TWIRLS. And for an extended version of this work, please see https: //arxiv. org/abs/2103. 06064.

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