Understanding the learning dynamics of neural networks is a central topic in the deep learning community. In this paper, we take an empirical perspective to study the learning dynamics of neural networks in real-world settings. Specifically, we investigate the evolution process of the empirical Neural Tangent Kernel (eNTK) during training. Our key findings reveal a two-phase learning process: i) in Phase I, the eNTK evolves significantly, signaling the rich regime, and ii) in Phase II, the eNTK keeps evolving but is constrained in a narrow space, a phenomenon we term the cone effect. This two-phase framework builds on the hypothesis proposed by Fort et al. (2020), but we uniquely identify the cone effect in Phase II, demonstrating its significant performance advantages over fully linearized training.

Recent work has demonstrated that semantics specified by pretraining data influence how representations of different concepts are organized in a large language model (LLM). However, given the open-ended nature of LLMs, e.g., their ability to in-context learn, we can ask whether models alter these pretraining semantics to adopt alternative, context-specified ones. Specifically, if we provide in-context exemplars wherein a concept plays a different role than what the pretraining data suggests, do models reorganize their representations in accordance with these novel semantics? To answer this question, we take inspiration from the theory of conceptual role semantics and 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 from pretrained semantic representations to in-context representations aligned with the graph 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, providing evidence towards an implicit optimization process to infer context-specified semantics. Overall, our findings indicate scaling context-size can flexibly re-organize model representations, possibly unlocking novel capabilities.

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.

As a variant of Graph Neural Networks (GNNs), Unfolded GNNs offer enhanced interpretability and flexibility over traditional designs. Nevertheless, they still suffer from scalability challenges when it comes to the training cost. Although many methods have been proposed to address the scalability issues, they mostly focus on per-iteration efficiency, without worst-case convergence guarantees. Moreover, those methods typically add components to or modify the original model, thus possibly breaking the interpretability of Unfolded GNNs. In this paper, we propose HERTA: a High-Efficiency and Rigorous Training Algorithm for Unfolded GNNs that accelerates the whole training process, achieving a nearly-linear time worst-case training guarantee. Crucially, HERTA converges to the optimum of the original model, thus preserving the interpretability of Unfolded GNNs. Additionally, as a byproduct of HERTA, we propose a new spectral sparsification method applicable to normalized and regularized graph Laplacians that ensures tighter bounds for our algorithm than existing spectral sparsifiers do. Experiments on real-world datasets verify the superiority of HERTA as well as its adaptability to various loss functions and optimizers.

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 spawning and permutation approaches. The study of LLFC transcends and advances our understanding of LMC by adopting a feature-learning perspective.

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.

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 view Transformers as the unfolding of an interpretable optimization process across iterations. 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.