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.

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)Σ1/2 F where Σ1/2 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.

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.

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.

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.

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.

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.

We introduce a new convex optimization framework for logistic scalar-on-matrix regression which incorporates nuclear and $\ell_1$ norm penalties to enforce simultaneously low-rank and sparse structures in the estimated coefficient matrix. The proposed method enables interpretable modeling of high-dimensional matrix-valued predictors in the presence of binary responses. We derive a custom algorithm based on the Alternating Direction Method of Multipliers (ADMM) to efficiently solve the resulting convex optimization problem and establish the theoretical properties of the obtained solution. Numerical experiments clearly demonstrate the effectiveness of our method in recovering meaningful predictive patterns. Finally, we apply our method to the brain imaging data to identify structures in functional brain connectivity matrices that are characteristic of subjects with a family history of alcohol use disorders (AUDs).

Manifold-constrained hyper-connections (mHCs) have recently been proposed as a principled extension of hyper-connections, where the residual mixing matrices are constrained to be doubly stochastic via projection onto the Birkhoff polytope. In practical mHC implementations, this constraint is enforced by Sinkhorn-Knopp iterations, and the backward pass relies on unrolling the iterative solver. This design introduces substantial computation and memory overhead, and may also yield inaccurate projections when the algorithm converges slowly on challenging inputs, undermining the intended norm-control and stability guarantees of mHCs. In this work, we focus on the practically important 4x4 Birkhoff projection setting and develop an end-to-end acceleration framework. By leveraging the dual formulation, we reduce the problem to a three-dimensional unconstrained convex problem and solve it with Newton's method, achieving fast convergence and high accuracy. For the backward pass, we replace the unrolled differentiation with implicit differentiation, yielding exact gradients without storing intermediate states. To exploit massive parallelism, we design a warp-level CUDA kernel that uses only register-level primitives, avoiding global and shared memory I/O. Extensive experiments against representative open-source baselines demonstrate that the proposed solver yields substantially more reliable doubly stochastic projections -- especially when the input magnitude is large -- and achieves significant end-to-end speedups (including the backward pass), reaching over 20x acceleration at large batch sizes while maintaining orders of magnitude smaller marginal errors.

Whilst the vulnerability of graph neural networks (GNNs) to adversarial attacks poses a critical threat to graph representation learning, the understanding of the robust generalization behavior remains a fundamental challenge in the adversarial setting. Recently, PAC-Bayesian margin-based generalization analysis substantially advances this line of research by providing a flexible and data-dependent analytical framework. However, existing robust analyses often rely on isotropic Gaussian posteriors and control weight perturbations in the full parameter space, which limits the ability to capture heterogeneous parameter sensitivity yet hinges on hidden-width-dependent complexity terms, resulting in not-tight-enough generalization bounds. In this paper, we extend a recently proposed sensitivity-aware PAC-Bayesian framework from deep neural networks to message passing GNNs (MPGNNs) and derive a tighter robust generalization bound in the adversarial setting. Specifically, we first quantify how sensitive the perturbations across different parameter blocks are to the network outputs by deriving the output Jacobians with respect to the weight parameters. Exploiting the fact that these Jacobian matrices have rank at most $K$ in $K$-class graph classification, we then construct Jacobian-aligned sensitivity matrices and use anisotropic Gaussian posteriors with optimized covariances to upper bound the KL divergence in a tight way. Notably, by refining the spectral-norm dependence on the learned weights and reducing the leading dimension factor from hidden-width-dependent terms to the number of classes $K$, our analysis yields much tighter robust generalization guarantees for MPGNNs, thereby guiding their designs to enhance adversarial robustness.