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Impact of Layer Norm on Memorization and Generalization in Transformers

Neural Information Processing Systems

Layer Normalization (LayerNorm) is one of the fundamental components in transformers that stabilizes training and improves optimization. In recent times, PreLayerNorm transformers have become the preferred choice over Post-LayerNorm transformers due to their stable gradient flow. However, the impact of LayerNorm on learning and memorization across these architectures remains unclear. In this work, we investigate how LayerNorm influences memorization and learning for Preand Post-LayerNorm transformers. We identify that LayerNorm serves as a key factor for stable learning in Pre-LayerNorm transformers, while in Post-LayerNorm transformers, it impacts memorization. Our analysis reveals that eliminating LayerNorm parameters in Pre-LayerNorm models exacerbates memorization and destabilizes learning, while in Post-LayerNorm models, it effectively mitigates memorization by restoring genuine labels. We further precisely identify that early layers LayerNorm are the most critical over middle/later layers and their influence varies across Pre and Post LayerNorm models. We have validated it through 13 models across 6 Vision and Language datasets. These insights shed new light on the role of LayerNorm in shaping memorization and learning in transformers2.


Opinion Maximization in Social Networks by Modifying Internal Opinions

Neural Information Processing Systems

Public opinion governance in social networks is critical for public health campaigns, political elections, and commercial marketing. In this paper, we addresse the problem of maximizing overall opinion in social networks by strategically modifying the internal opinions of a fixed number of nodes. Traditional matrix inversion methods suffer from prohibitively high computational costs, prompting us to propose two efficient sampling-based algorithms. Furthermore, we develop a deterministic asynchronous algorithm that exactly identifies the optimal set of nodes through asynchronous update operations and progressive refinement, ensuring both efficiency and precision. Extensive experiments on real-world datasets demonstrate that our methods outperform baseline approaches. Notably, our asynchronous algorithm delivers exceptional efficiency and accuracy across all scenarios, even in networks with tens of millions of nodes.


Sound Logical Explanations for Mean Aggregation Graph Neural Networks

Neural Information Processing Systems

Graph neural networks (GNNs) are frequently used for knowledge graph completion. Their black-box nature has motivated work that uses sound logical rules to explain predictions and characterise their expressivity. However, despite the prevalence of GNNs that use mean as an aggregation function, explainability and expressivity results are lacking for them. We consider GNNs with mean aggregation and non-negative weights (MAGNNs), proving the precise class of monotonic rules that can be sound for them, as well as providing a restricted fragment of first-order logic to explain any MAGNN prediction. Our experiments show that restricting mean-aggregation GNNs to have non-negative weights yields comparable or improved performance on standard inductive benchmarks, that sound rules are obtained in practice, that insightful explanations can be generated in practice, and that the sound rules can expose issues in the trained models.


Generalization Bounds for Kolmogorov-Arnold Networks (KANs)and Enhanced KANs with Lower Lipschitz Complexity

Neural Information Processing Systems

Kolmogorov-Arnold Networks (KANs) have demonstrated remarkable expressive capacity and predictive power in symbolic learning. However, existing generalization errors of KANs primarily focus on approximation errors while neglecting estimation errors, leading to a suboptimal bias-variance trade-off and poor generalization performance. Meanwhile, the unclear generalization mechanism hinders the design of more effective KANs. As the authors of KANs highlighted, they "would like to explore ways to restrict KANs' hypothesis space so that they can achieve good performance." To address these challenges, we explore the generalization mechanism of KANs and design more effective KANs with lower model complexity and better generalization. We define Lipschitz complexity as the first structural measure for deep functions represented by KANs and derive novel generalization bounds based on Lipschitz complexity, establishing a theoretical foundation for understanding their generalization behavior. To reduce Lipschitz complexity and boost the generalization mechanism of KANs, we propose Lipschitz-Enhanced KANs (LipKANs) by integrating the Lip layers and pioneering the L1.5-regularization, contributing to tighter generalization bounds. Empirical experiments validate that the proposed LipKANs enhance the generalization mechanism of KANs when modeling complex distributions. We hope our theoretical insights and proposed LipKANs lay a foundation for the future development of KANs.


PoseCrafter: Extreme Pose Estimation with Hybrid Video Synthesis

Neural Information Processing Systems

Pairwise camera pose estimation from sparsely overlapping image pairs remains a critical and unsolved challenge in 3D vision. Most existing methods struggle with image pairs that have small or no overlap. Recent approaches attempt to address this by synthesizing intermediate frames using video interpolation and selecting key frames via a self-consistency score. However, the generated frames are often blurry due to small overlap inputs, and the selection strategies are slow and not explicitly aligned with pose estimation. To solve these cases, we propose Hybrid Video Generation (HVG) to synthesize clearer intermediate frames by coupling a video interpolation model with a pose-conditioned novel view synthesis model, where we also propose a Feature Matching Selector (FMS) based on feature correspondence to select intermediate frames appropriate for pose estimation from the synthesized results. Extensive experiments on Cambridge Landmarks, ScanNet, DL3DV-10K, and NAVI demonstrate that, compared to existing SOTA methods, PoseCrafter can obviously enhance the pose estimation performances, especially on examples with small or no overlap.


6f4bb3e0b6331df4b85337c3403c7490-Paper-Conference.pdf

Neural Information Processing Systems

Human behavior is characterized by continuous learning to reduce uncertainties about the world in pursuit of goals. When trying to understand such behavior from observations, it is essential to account for this adaptive nature and reason about the uncertainties that may have led to seemingly suboptimal decisions. Nevertheless, most inverse approaches to sequential decision-making focus on inferring cost functions underlying stationary behavior or are limited to low-dimensional tasks. In this paper, we address this gap by considering the problem of inferring an agent's knowledge or awareness about the environment based on a given trajectory. We assume that the agent aims to reach a goal in an environment they only partially know, and integrates new information into their plan as they act. We propose a Bayesian approach to infer their latent knowledge state, leveraging an approximate navigation model that optimistically incorporates partial information while accounting for uncertainty. By combining sample-based Bayesian inference with dynamic graph algorithms, we achieve an efficient method for computing posterior beliefs about the agent's knowledge. Empirical validation using simulated behavioral data and human data from an online experiment demonstrates that our model effectively captures human navigation under uncertainty and reveals interpretable insights into their environmental knowledge.


Why Playing Against Diverse and Challenging Opponents Speeds Up Coevolution: ATheoretical Analysis on Combinatorial Games

Neural Information Processing Systems

Competitive coevolutionary algorithms (CoEAs) have a natural application to problems that are adversarial or feature strategic interaction. However, there is currently limited theoretical insight into how to avoid pathological behaviour associated with CoEAs. In this paper we use impartial combinatorial games as a challenging domain for CoEAs and provide a corresponding runtime analysis. By analysing how individuals capitalise on the mistakes of their opponents, we prove that the Univariate Marginal Distribution Algorithm finds (with high probability) an optimal strategy for a game called Reciprocal LeadingOnes within O(n2 log3 n)game evaluations, a significant improvement over the best known bound of O(n5 log2 n). Critical to the analysis is the introduction of a novel stabilising operator, the impact of which we study both theoretically and empirically.


G2M: AGeneralized Gaussian Mirror Method to boost feature selection power

Neural Information Processing Systems

Recent advances in false discovery rate (FDR)-controlled feature selection methods have improved reliability by effectively limiting false positives, making them wellsuited for complex applications. A popular FDR-controlled framework called data splitting uses the "mirror statistics" to select features. However, we find that the unit variance assumption on mirror statistics could potentially limit the feature selection power. To address this, we generalize the mirror statistics in the Gaussian mirror framework and introduce a new approach called "generalized Gaussian mirror" (G2M), which adaptively learns the variance and forms new test statistics. We demonstrate both theoretically and empirically that the proposed test statistics achieve higher power than those of Gaussian mirror and data splitting. Comparisons with other FDR-controlled frameworks on synthetic, semi-synthetic, and real datasets highlight the superior performance of the G2M method in achieving higher power while maintaining FDR control. These findings suggest the potential for the G2M method for practical applications in real-world problems. Code is available at: https://github.com/skyve2012/G2M.


Harnessing the Computation Redundancy in ViTs to Boost Adversarial Transferability

Neural Information Processing Systems

Vision Transformers (ViTs) have demonstrated impressive performance across a range of applications, including many safety-critical tasks. Many previous studies have observed that adversarial examples crafted on ViTs exhibit higher transferability than those crafted on CNNs, indicating that ViTs contain structural characteristics favorable for transferable attacks. In this work, we take a further step to deeply investigate the role of computational redundancy brought by its unique characteristics in ViTs and its impact on adversarial transferability. Specifically, we identify two forms of redundancy, including the data-level and model-level, that can be harnessed to amplify attack effectiveness. Building on this insight, we design a suite of techniques, including attention sparsity manipulation, attention head permutation, clean token regularization, ghost MoE diversification, and learning to robustify before the attack. A dynamic online learning strategy is also proposed to fully leverage these operations to enhance the adversarial transferability. Extensive experiments on the ImageNet-1k dataset validate the effectiveness of our approach, showing that our methods significantly outperform existing baselines in both transferability and generality across diverse model architectures, including different variants of ViTs and mainstream Vision Large Language Models (VLLMs).


When Models Don't Collapse: On the Consistency of Iterative MLE

Neural Information Processing Systems

The widespread use of generative models has created a feedback loop, in which each version of a model is trained on data partially produced by its predecessors. This process has raised concerns about model collapse: A critical degradation in performance caused by repeated training on synthetic data. However, different analyses in the literature have reached different conclusions as to the severity of model collapse. As such, it remains unclear how concerning this phenomenon is, and under which assumptions it can be avoided. To address this, we theoretically study model collapse for maximum likelihood estimation (MLE), in a natural setting where synthetic data is gradually added to the original data set. Under standard assumptions (similar to those long used for proving asymptotic consistency and normality of MLE), we establish non-asymptotic bounds showing that collapse can be avoided even as the fraction of real data vanishes. On the other hand, we prove that some assumptions (beyond MLE consistency) are indeed necessary: Without them, model collapse can occur arbitrarily quickly, even when the original data is still present in the training set. To the best of our knowledge, these are the first rigorous examples of iterative generative modeling with accumulating data that rapidly leads to model collapse.