The rise of GPU-based high-performance computing (HPC) has driven the widespread adoption of parallel programming models such as CUDA. Yet, the inherent complexity of parallel programming creates a demand for the automated sequential-to-parallel approaches. However, data scarcity poses a significant challenge for machine learning-based sequential-to-parallel code translation. Although recent back-translation methods show promise, they still fail to ensure functional equivalence in the translated code. In this paper, we propose QiMeng-MuPa, a novel Mutual-Supervised Learning framework for Sequential-to-Parallel code translation, to address the functional equivalence issue.

Active learning (AL) reduces annotation costs by selecting the most informative samples based on both model sensitivity and predictive uncertainty. While sensitivity can be measured through parameter gradients in an unsupervised manner, predictive uncertainty can hardly be estimated without true labels especially for regression tasks, reducing the informativeness of actively selected samples. This paper proposes the concept of auxiliary data to aid the uncertainty estimation for regression tasks. With detailed theoretical analysis, we reveal that auxiliary data, despite potential distribution shifts, can provide a promising uncertainty surrogate when properly weighted. Such finding inspires our design of AGBAL, a novel AL framework that recalibrates auxiliary data losses through density ratio weighting to obtain reliable uncertainty estimates for sample selection. Extensive experiments show that AGBAL consistently outperforms existing approaches without auxiliary data across diverse synthetic and real-world datasets.

Linear attention has attracted interest as a computationally efficient approximation to softmax attention, especially for long sequences. Recent studies have explored distilling softmax attention in pre-trained Transformers into linear attention. However, a critical challenge remains: how to choose the feature dimension that governs the approximation quality. Existing methods fix this dimension uniformly across all attention layers, overlooking the diverse roles and complexities of them. In this paper, we propose a principled method to automatically determine the feature dimension in linear attention using the concept of statistical degrees of freedom, which represent the effective dimensionality of the inputs. We provide a theoretical bound on the approximation error and show that the dimension chosen by our method achieves smaller errors under a fixed computational budget. Furthermore, we introduce an efficient layerwise training strategy to learn nonlinear features tailored to each layer. Experiments on multiple pre-trained transformers demonstrate that our method improves the performance of distilled models compared to baselines without increasing the inference cost. Our findings also provide insight into how the complexity of the attention mechanism evolves across layers.

Parameter-Efficient Fine-Tuning (PEFT) is a popular class of techniques that strive to adapt large models in a scalable and resource-efficient manner. Yet, the mechanisms underlying their training performance and generalization remain underexplored. In this paper, we provide several insights into such fine-tuning through the lens of linearization. Fine-tuned models are often implicitly encouraged to remain close to the pretrained model. By making this explicit, using an ℓ2distance inductive bias in parameter space, we show that fine-tuning dynamics become equivalent to learning with the positive-definite neural tangent kernel (NTK). We specifically analyze how close the fully linear and the linearized finetuning optimizations are, based on the strength of the regularization. This allows us to be pragmatic about how good a model linearization is when fine-tuning large language models (LLMs). When linearization is a good model, our findings reveal a strong correlation between the eigenvalue spectrum of the NTK and the performance of model adaptation. Motivated by this, we give spectral perturbation bounds on the NTK induced by the choice of layers selected for fine-tuning.

A variety of infinitely wide neural architectures (e.g., dense NNs, CNNs, and transformers) induce Gaussian process (GP) priors over their outputs. These relationships provide both an accurate characterization of the prior predictive distribution and enable the use of GP machinery to improve the uncertainty quantification of deep neural networks. In this work, we extend this connection to neural operators (NOs), a class of models designed to learn mappings between function spaces. Specifically, we show conditions for when arbitrary-depth NOs with Gaussiandistributed convolution kernels converge to function-valued GPs. Based on this result, we show how to compute the covariance functions of these NO-GPs for two NO parametrizations, including the popular Fourier neural operator (FNO). With this, we compute the posteriors of these GPs in regression scenarios, including PDE solution operators. This work is an important step towards uncovering the inductive biases of current FNO architectures and opens a path to incorporate novel inductive biases for use in kernel-based operator learning methods.

Diffusion and flow matching models have significantly advanced media generation, yet their design space is well-explored, somewhat limiting further improvements. Concurrently, autoregressive (AR) models, particularly those generating continuous tokens, have emerged as a promising direction for unifying text and media generation. This paper introduces Transition Matching (TM), a novel discrete-time, continuous-state generative paradigm that unifies and advances both diffusion/flow models and continuous AR generation. TM decomposes complex generation tasks into simpler Markov transitions, allowing for expressive non-deterministic probability transition kernels and arbitrary non-continuous supervision processes, thereby unlocking new flexible design avenues. We explore these choices through three TM variants: (i) Difference Transition Matching (DTM), which generalizes flow matching to discrete-time by directly learning transition probabilities, yielding state-of-the-art image quality and text adherence as well as improved sampling efficiency.

Recent research has increasingly focused on reconciling the reasoning capabilities of System 2 with the efficiency of System 1. While existing training-based and prompt-based approaches face significant challenges in terms of efficiency and stability, model merging emerges as a promising strategy to integrate the diverse capabilities of different Large Language Models (LLMs) into a unified model. However, conventional model merging methods often assume uniform importance across layers, overlooking the functional heterogeneity inherent in neural components. To address this limitation, we propose Activation-Guided Consensus Merging (ACM), a plug-and-play merging framework that determines layer-specific merging coefficients based on mutual information between activations of pre-trained and fine-tuned models. ACM effectively preserves task-specific capabilities without requiring gradient computations or additional training. Extensive experiments on Long-to-Short (L2S) and general merging tasks demonstrate that ACM consistently outperforms all baseline methods. For instance, in the case of Qwen-7B models, TIES-Merging equipped with ACM achieves a 55.3% reduction in response length while simultaneously improving reasoning accuracy by 1.3 points.

Constrained Bayesian optimization (CBO) methods have seen significant success in black-box optimization with constraints. One of the most commonly used CBO methods is the constrained expected improvement (CEI) algorithm. CEI is a natural extension of expected improvement (EI) when constraints are incorporated. However, the theoretical convergence rate of CEI has not been established. In this work, we study the convergence rate of CEI by analyzing its simple regret upper bound.

For regression on the dataset, we perform leave-one-out cross validation. For the single solvents,865 we leave out one solvent at a time. For the full data, we leave out one solvent ramp at a time. We866 measure the performance of the model on each leave-one-out data split, then take the mean of their867 performance across the dataset. We exclude any experiments involving acetonitrile and acetic acid,868 due to the observed side-reactions.

State-Space Models (SSMs) have proven to be powerful tools for modeling longrange dependencies in sequential data. While the recent method known as HiPPO has demonstrated strong performance, and formed the basis for machine learning models S4 and Mamba, it remains limited by its reliance on closed-form solutions for a few specific, well-behaved bases.