Large language models (LLMs) have achieved remarkable achievements across diverse applications; however, they remain plagued by spurious correlations and the generation of hallucinated content. Despite extensive efforts to enhance the resilience of LLMs, existing approaches either rely on indiscriminate fine-tuning of all parameters, resulting in parameter inefficiency and lack of specificity, or depend on post-processing techniques that offer limited adaptability and flexibility. This study introduces a novel Causality-driven Robust Optimization (CDRO) approach that selectively updates model components sensitive to causal reasoning, enhancing model causality while preserving valuable pretrained knowledge to mitigate overfitting. Our method begins by identifying the parameter components within LLMs that capture causal relationships, achieved through comparing the training dynamics of parameter matrices associated with the original samples, as well as augmented counterfactual and paraphrased variants. These comparisons are then fed into a lightweight logistic regression model, optimized in real time to dynamically identify and adapt the causal components within LLMs. The identified parameters are subsequently optimized using an enhanced policy optimization algorithm, where the reward function is designed to jointly promote both model generalization and robustness. Extensive experiments across various tasks using twelve different LLMs demonstrate the superior performance of our framework, underscoring its significant effectiveness in reducing the model's dependence on spurious associations and mitigating hallucinations.

How do vision transformers (ViTs) represent and process the world? This paper addresses this long-standing question through the first systematic analysis of 6.6K features across all layers, extracted via sparse autoencoders, and by introducing the residual replacement model, which replaces ViT computations with interpretable features in the residual stream. Our analysis reveals not only a feature evolution from low-level patterns to high-level semantics, but also how ViTs encode curves and spatial positions through specialized feature types. The residual replacement model scalably produces a faithful yet parsimonious circuit for human-scale interpretability by significantly simplifying the original computations. As a result, this framework enables intuitive understanding of ViT mechanisms. Finally, we demonstrate the utility of our framework in debiasing spurious correlations.

Recent developments in DNN-based image watermarking techniques have achieved impressive results in protecting digital content. However, most existing methods are constrained to low-resolution images as they need to encode the entire image, leading to prohibitive memory and computational costs when applied to high-resolution images. Moreover, they lack robustness to distortions prevalent in large-image transmission, such as extreme scaling and random cropping. To address these issues, we propose a novel watermarking method based on implicit neural representations (INRs). Leveraging the properties of INRs, our method employs resolution-independent coordinate sampling mechanism to generate watermarks pixel-wise, achieving ultra-high resolution watermark generation with fixed and limited memory and computational resources. This design ensures strong robustness in watermark extraction, even under extreme cropping and scaling distortions. Additionally, we introduce a hierarchical multi-scale coordinate embedding and a low-rank watermark injection strategy to ensure high-quality watermark generation and robust decoding. Experimental results show that our method significantly outperforms existing schemes in terms of both robustness and computational efficiency while preserving high image quality. Our approach achieves an accuracy greater than 98% in watermark extraction with only 0.4% of the image area in 2K images.

Can neural networks systematically capture discrete, compositional task structure despite their continuous, distributed nature? The impressive capabilities of largescale neural networks suggest that the answer to this question is yes. However, even for the most capable models, there are still frequent failure cases that raise doubts about their compositionality. Here, we seek to understand what it takes for a standard neural network to generalize over tasks that share compositional structure. We find that simply scaling data and model size leads to compositional generalization. We show that this holds across different task encodings as long as the training distribution sufficiently covers the task space. In line with this finding, we prove that standard multilayer perceptrons can approximate a general class of compositional task families to arbitrary precision using only a linear number of neurons with respect to the number of task modules. Finally, we uncover that if networks successfully compositionally generalize, the constituents of a task can be linearly decoded from their hidden activations. We show that this metric correlates with failures of text-to-image generation models to compose known concepts.

Large Language Models (LLMs) have shown remarkable capabilities, with optimizing their input prompts playing a pivotal role in maximizing their performance. However, while LLM prompts consist of both the task-agnostic system prompts and task-specific user prompts, existing work on prompt optimization has focused on user prompts specific to individual queries or tasks, and largely overlooked the system prompt that is, once optimized, applicable across different tasks and domains. Motivated by this, we introduce the novel problem of bilevel system prompt optimization, whose objective is to design system prompts that are robust to diverse user prompts and transferable to unseen tasks. To tackle this problem, we then propose a meta-learning framework, which meta-learns the system prompt by optimizing it over various user prompts across multiple datasets, while simultaneously updating the user prompts in an iterative manner to ensure synergy between them. We conduct experiments on 14 unseen datasets spanning 5 different domains, on which we show that our approach produces system prompts that generalize effectively to diverse user prompts. Also, our findings reveal that the optimized system prompt enables rapid adaptation even to unseen tasks, requiring fewer optimization steps for test-time user prompts while achieving improved performance.

Gradient smoothing is an efficient approach to reducing noise in gradient-based model explanation methods. SmoothGrad adds Gaussian noise to mitigate much of this noise. However, the crucial hyperparameter in this method, the variance σ of the Gaussian noise, is often set manually or determined using a heuristic approach. This results in the smoothed gradients containing extra noise introduced by the smoothing process. In this paper, we aim to analyze the noise and its connection to the out-of-range sampling in the smoothing process of SmoothGrad. Based on this insight, we propose AdaptGrad, an adaptive gradient smoothing method that controls out-of-range sampling to minimize noise. Comprehensive experiments, both qualitative and quantitative, demonstrate that AdaptGrad could effectively reduce almost all the noise in vanilla gradients compared to baseline methods. AdaptGrad is simple and universal, making it a practical solution to enhance gradient-based interpretability methods to achieve clearer visualization.

Proper initialization is critical for Recurrent Neural Networks (RNNs), particularly in long-range reasoning tasks, where repeated application of the same weight matrix can cause vanishing or exploding signals. A common baseline for linear recurrences is Glorot initialization, designed to ensure stable signal propagation--but derived under the infinite-width, fixed-length regime--an unrealistic setting for RNNs processing long sequences. In this work, we show that Glorot initialization is in fact unstable: small positive deviations in the spectral radius are amplified through time and cause the hidden state to explode. Our theoretical analysis demonstrates that sequences of length t = O( n), where n is the hidden width, are sufficient to induce instability. To address this, we propose a simple, dimension-aware rescaling of Glorot that shifts the spectral radius slightly below one, preventing rapid signal explosion or decay. These results suggest that standard initialization schemes may break down in the long-sequence regime, motivating a separate line of theory for stable recurrent initialization.

The recently proposed optimization algorithm for deep neural networks Sharpness Aware Minimization (SAM) suggests perturbing parameters before gradient calculation by a gradient ascent step to guide the optimization into parameter space regions of flat loss. While significant generalization improvements and thus reduction of overfitting could be demonstrated, the computational costs are doubled due to the additionally needed gradient calculation, making SAM unfeasible in case of limited computationally capacities. Motivated by Nesterov Accelerated Gradient (NAG) we propose Momentum-SAM (MSAM), which perturbs parameters in the direction of the accumulated momentum vector to achieve low sharpness without significant computational overhead or memory demands over SGD or Adam. We evaluate MSAM in detail and reveal insights on separable mechanisms of NAG, SAM and MSAM regarding training optimization and generalization.

We introduce PurpCode, the first post-training recipe for training safe code reasoning models towards generating secure code and defending against malicious cyberactivities. PurpCode trains a reasoning model in two stages: (i) Rule Learning, which explicitly teaches the model to reference cybersafety rules to generate vulnerabilityfree code and to avoid facilitating malicious cyberactivities; and (ii) Reinforcement Learning, which optimizes model safety and preserves model utility through diverse, multi-objective reward mechanisms. To empower the training pipelines with comprehensive cybersafety data, we conduct internal red-teaming to synthesize comprehensive and high-coverage prompts based on real-world tasks for inducing unsafe cyberactivities in the model. Based on PurpCode, we develop a reasoning-based coding model, namely PurpCode-32B, which demonstrates state-of-the-art cybersafety, outperforming various frontier models. Moreover, our alignment method decreases the model overrefusal rates in both general and cybersafety-specific scenarios, while preserving model utility in both code generation and common security knowledge.

A major problem of kernel-based methods (e.g., least squares support vector machines, LS-SVMs) for solving linear/nonlinear ordinary differential equations (ODEs) is the prohibitive O(an3) (a = 1 for linear ODEs and 27 for nonlinear ODEs) part of their computational complexity with increasing temporal discretization points n. We propose a novel Nyström-accelerated LS-SVMs framework that breaks this bottleneck by reformulating ODEs as primal-space constraints. Specifically, we derive for the first time an explicit Nyström-based mapping and its derivatives from one-dimensional temporal discretization points to a higher m-dimensional feature space (1 < m n), enabling the learning process to solve linear/nonlinear equation systems with m-dependent complexity. Numerical experiments on sixteen benchmark ODEs demonstrate: 1) 10 6000 times faster computation than classical LS-SVMs and physics-informed neural networks (PINNs), 2) comparable accuracy to LS-SVMs (< 0.13% relative MAE, RMSE, and y ˆy difference) while maximum surpassing PINNs by 72% in RMSE, and 3) scalability to n = 104 time steps with m = 50features. This work establishes a new paradigm for efficient kernel-based ODEs learning without significantly sacrificing the accuracy of the solution.