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How Data Mixing Shapes In-Context Learning: Asymptotic Equivalence for Transformers with MLPs

Neural Information Processing Systems

Pretrained Transformers demonstrate remarkable in-context learning (ICL) capabilities, enabling them to adapt to new tasks from demonstrations without parameter updates. However, theoretical studies often rely on simplified architectures (e.g., omitting MLPs), plain data models (e.g., linear regression with isotropic inputs), and single-source training--limiting their relevance to realistic settings. In this work, we study ICL in pretrained Transformers with nonlinear MLP heads on nonlinear tasks drawn from multiple data sources with heterogeneous input, task, and noise distributions. We analyze a model where the MLP comprises two layers, with the first layer trained via a single gradient step and the second layer fully optimized. Under high-dimensional asymptotics, we prove that such models are equivalent in ICL error to structured polynomial predictors, leveraging results from the theory of Gaussian universality and orthogonal polynomials. This equivalence reveals that nonlinear MLPs meaningfully enhance ICL performance--particularly on nonlinear tasks--compared to linear baselines.


Distribution-Aware Tensor Decomposition for Compression of Convolutional Neural Networks

Neural Information Processing Systems

Neural networks are widely used for image-related tasks but typically demand considerable computing power. Once a network has been trained, however, its memoryand compute-footprint can be reduced by compression. In this work, we focus on compression through tensorization and low-rank representations. Whereas classical approaches search for a low-rank approximation by minimizing an isotropic norm such as the Frobenius norm in weight-space, we use data-informed norms that measure the error in function space. Concretely, we minimize the change in the layer's output distribution, which can be expressed as (W fW)ฮฃ1/2 F where ฮฃ1/2 is the square root of the covariance matrix of the layer's input and W, fW are the original and compressed weights. We propose new alternating least square algorithms for the two most common tensor decompositions (Tucker-2 and CPD) that directly optimize the new norm. Unlike conventional compression pipelines, which almost always require post-compression fine-tuning, our data-informed approach often achieves competitive accuracy without any fine-tuning. We further show that the same covariance-based norm can be transferred from one dataset to another with only a minor accuracy drop, enabling compression even when the original training dataset is unavailable. Experiments on several CNN architectures (ResNet-18/50, and GoogLeNet) and datasets (ImageNet, FGVC-Aircraft, Cifar10, and Cifar100) confirm the advantages of the proposed method.


Knowledge Distillation of Uncertainty using Deep Latent Factor Model

Neural Information Processing Systems

Deep ensembles deliver state-of-the-art, reliable uncertainty quantification, but their heavy computational and memory requirements hinder their practical deployments to real applications such as on-device AI. Knowledge distillation compresses an ensemble into small student models, but existing techniques struggle to preserve uncertainty partly because reducing the size of DNNs typically results in variation reduction. To resolve this limitation, we introduce a new method of distribution distillation (i.e.


From Sequence to Structure: Uncovering Substructure Reasoning in Transformers

Neural Information Processing Systems

Recent studies suggest that large language models (LLMs) possess the capability to solve graph reasoning tasks. Notably, even when graph structures are embedded within textual descriptions, LLMs can still effectively answer related questions. This raises a fundamental question: How can a decoder-only Transformer architecture understand underlying graph structures? To address this, we start with the substructure extraction task, interpreting the inner mechanisms inside the transformers and analyzing the impact of the input queries.


Scaling Data-Driven Probabilistic Robustness Analysis for Semantic Segmentation Neural Networks

Neural Information Processing Systems

Semantic segmentation neural networks (SSNs) are increasingly essential in highstakes fields such as medical imaging, autonomous driving, and environmental monitoring, where robustness to input uncertainties and adversarial examples is crucial for ensuring safety and reliability. However, traditional probabilistic verification methods struggle to scale effectively with the size and depth of modern SSNs, especially when dealing with their high-dimensional, structured inputs/outputs. As the output dimension increases, these methods tend to become overly conservative, resulting in unnecessarily restrictive safety guarantees. In this work, we propose a probabilistic, data-driven verification algorithm that is architecture-agnostic and scalable, capable of handling the high-dimensional outputs of SSNs without introducing conservative and loose guarantees. We leverage efficient sampling-based reachability analysis to explore the space of possible outputs while maintaining computational feasibility.


Training-Free Bayesianization for Low-Rank Adapters of Large Language Models

Neural Information Processing Systems

Estimating the uncertainty of responses from Large Language Models (LLMs) remains a critical challenge. While recent Bayesian methods have demonstrated effectiveness in quantifying uncertainty through low-rank weight updates, they typically require complex fine-tuning or post-training procedures. In this paper, we propose Training-Free Bayesianization (TFB), a simple yet theoretically grounded framework that efficiently transforms trained low-rank adapters into Bayesian ones without additional training. TFBsystematically searches for the maximally acceptable level of variance in the weight posterior, constrained within a family of low-rank isotropic Gaussian distributions. Our theoretical analysis shows that under mild conditions, this search process is equivalent to KL-regularized variational optimization, a generalized form of variational inference. Through comprehensive experiments, we show that TFB achieves superior uncertainty estimation and generalization compared to existing methods while eliminating the need for complex Bayesianization training procedures.


Certifying Concavity and Monotonicity in Games via Sum-of-Squares Hierarchies

Neural Information Processing Systems

Concavity and its refinements underpin tractability in multiplayer games, where players independently choose actions to maximize their own payoffs which depend on other players' actions. In concave games, where players' strategy sets are compact and convex, and their payoffs are concave in their own actions, strong guarantees follow: Nash equilibria always exist and decentralized algorithms converge to equilibria. If the game is furthermore monotone, an even stronger guarantee holds: Nash equilibria are unique under strictness assumptions. Unfortunately, we show that certifying concavity or monotonicity is NP-hard, already for games where utilities are multivariate polynomials and compact, convex basic semialgebraic strategy sets--an expressive class that captures extensive-form games with imperfect recall. On the positive side, we develop two hierarchies of sum-of-squares programs that certify concavity and monotonicity of a given game, and each level of the hierarchies can be solved in polynomial time. We show that almost all concave/monotone games are certified at some finite level of the hierarchies. Subsequently, we introduce the classes of SOS-concave/monotone games, which globally approximate concave/monotone games, and show that for any given game we can compute the closest SOS-concave/monotone game in polynomial time. Finally, we apply our techniques to canonical examples of extensiveform games with imperfect recall.


Operationalizing Individual Fairness via Gradient Descent and Bradley-Terry Models

arXiv.org Machine Learning

Individual fairness, the notion that "similar individuals should be treated similarly," provides a strong and flexible fairness guarantee for algorithmic decision makers. However, a barrier to implementing individual fairness in practice is the difficulty of learning the similarity metric over individuals. In this work, we present an algorithm for learning a Mahalanobis similarity metric from triplet queries of the form "is individual $i$ more similar to individual $j$ or $k$?" We work in the standard Bradley-Terry model for pairwise comparisons. Our algorithm consists of a spectral initialization step followed by gradient descent. We provide extensive theoretical guarantees on our algorithm, showing that it converges quickly to the ground truth metric despite the non-convexity of the loss in our model. Because our focus is on fairness, we also show that individual fairness with respect to an estimated metric is sufficient to achieve similar fairness with respect to the true metric. We also discuss potential applications of our work to AI model tuning. Finally, we present experimental results that demonstrate the convergence of our algorithm and the fairness performance of downstream fair predictors trained on our estimated metric.


Convexity in Disguise: A Theoretical Framework for Nonconvex Low-Rank Matrix Estimation

arXiv.org Machine Learning

Nonconvex methods have emerged as a dominant approach for low-rank matrix estimation, a problem that arises widely in machine learning and AI for learning and representing high-dimensional data. Existing analyses for these methods often require additional regularization to mitigate nonconvexity, even though such regularization is often unnecessary in practice. Moreover, most analyses rely on problem-specific arguments that are difficult to generalize to more complex settings. In this paper, we develop a theoretical framework for studying nonconvex procedures across a broad class of low-rank matrix estimation problems. Rather than focusing on a specific model, we reveal a fundamental mechanism that explains why nonconvex procedures can behave well in low-rank estimation. Our key device is a {\it benign regularizer} that does not alter the original update rule, but yields an equivalent locally strongly convex formulation of the algorithm. This perspective uncovers a disguised convexity inherent in the nonconvex procedure and provides a new route to theoretical guarantees for nonconvex low-rank matrix estimation.


Hypergraph Generation via Structured Stochastic Diffusion

arXiv.org Machine Learning

Hypergraphs model higher-order interactions, but realistic hypergraph generation remains difficult because incidence, hyperedge-size heterogeneity, and overlap structure are not faithfully captured by pairwise reductions. We propose \HEDGE, a generative model defined directly on relaxed incidence matrices via a structured stochastic diffusion. The forward process combines a hypergraph-specific two-sided heat operator with an Ornstein--Uhlenbeck component, preserving structure-aware noising near the data while yielding an explicit Gaussian terminal law. Conditional on an observed hypergraph, this forward process is linear-Gaussian, so conditional means, covariances, scores, and reverse-drift targets are available in closed form. We therefore learn a permutation-equivariant state-only reverse-drift field in incidence space by regressing onto exact conditional targets, and generate samples by simulating a learned reverse-time SDE from the Gaussian base law. We establish exactness in the ideal state-only setting together with finite-horizon stability guarantees, and empirically show improved hypergraph generation quality relative to strong baselines.