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 Large Language Model


Scale-invariant attention

Neural Information Processing Systems

One persistent challenge in LLM research is the development of attention mechanisms that are able to generalise from training on shorter contexts to inference on longer contexts. We propose two conditions that we expect all effective longcontext attention mechanisms to have: scale-invariant total attention, and scaleinvariant attention sparsity. Under a Gaussian assumption, we show that a simple position-dependent transformation of the attention logits is sufficient for these conditions to hold. Experimentally we find that the resulting scale-invariant attention scheme gives considerable benefits in terms of validation loss when zero-shot generalising from training on short contexts to validation on longer contexts, and is effective at long-context retrieval.


39th Conference on Neural Information Processing Systems (NeurIPS 2025)

Neural Information Processing Systems

Although recent methods have made progress toward unified solutions, their reliance on post hoc processing introduces considerable application inconvenience and compromises forensic reliability.


Localizing Knowledge in Diffusion Transformers

Neural Information Processing Systems

Understanding how knowledge is distributed across the layers of generative models is crucial for improving interpretability, controllability, and adaptation. While prior work has explored knowledge localization in UNet-based architectures, Diffusion Transformer (DiT)-based models remain underexplored in this context. In this paper, we propose a model-and knowledge-agnostic method to localize where specific types of knowledge are encoded within the DiT blocks. We evaluate our method on state-of-the-art DiT-based models, including PixArt-ฮฑ, FLUX, and SANA, across six diverse knowledge categories. We show that the identified blocks are both interpretable and causally linked to the expression of knowledge in generated outputs. Building on these insights, we apply our localization framework to two key applications: model personalization and knowledge unlearning. In both settings, our localized fine-tuning approach enables efficient and targeted updates, reducing computational cost, improving task-specific performance, and better preserving general model behavior with minimal interference to unrelated or surrounding content. Overall, our findings offer new insights into the internal structure of DiTs and introduce a practical pathway for more interpretable, efficient, and controllable model editing. 1


Adaptive Gradient Masking for Balancing ID and based Representations in Recommendation

Neural Information Processing Systems

In large-scale recommendation systems, multimodal (MM) content is increasingly introduced to enhance the generalization of ID features. The rise of Multimodal Large Language Models (MLLMs) enables the construction of unified user and item representations. However, the semantic distribution gap between MM and ID representations leads to convergence inconsistency during joint training: the ID branch converges quickly, while the MM branch requires more epochs, thus limiting overall performance. To address this, we propose a two-stage framework including MM representation learning and joint training optimization. First, we fine-tune the MLLM to generate unified user and item representations, and introduce collaborative signals by post-aligning user ID representations to alleviate semantic differences. Then, we propose an Adaptive Gradient Masking (AGM) training strategy to dynamically regulate parameter updates between ID and MLLM branches. AGM estimates the contribution of each representation with mutual information, and applies non-uniform gradient masking at the sub-network level to balance optimization. We provide theoretical analysis of AGM's effectiveness and further introduce an unbiased variant, AGM*, to enhance training stability.



COSMOS: Compressed and Smooth Latent Space for Text Diffusion Modeling

Neural Information Processing Systems

Autoregressive language models dominate modern text generation, yet their sequential nature introduces fundamental limitations: decoding is slow, and maintaining global coherence remains challenging. Diffusion models offer a promising alternative by enabling parallel generation and flexible control; however, their application to text generation is hindered by the high dimensionality of token-level representations. We introduce COSMOS, a novel approach to text generation that operates entirely in a compressed, smooth latent space tailored specifically for diffusion. This space is learned using an autoencoder trained simultaneously for token-level reconstruction and alignment with frozen activations from a pretrained language encoder, providing robust semantic grounding and enabling effective perturbation-based augmentations. Empirically, we demonstrate that text representations can be compressed up to 8 while maintaining generation quality comparable to token-level diffusion models. Furthermore, increasing the latent sequence length allows COSMOS to surpass both diffusion-based and autoregressive baselines. We evaluate COSMOS on four diverse generative tasks including story generation, question generation, summarization, and detoxification and compare it with various generative paradigms. COSMOS achieves comparable or superior generation quality while offering more than 2 faster inference. Code is released at GitHub.


BAM-ICL: Causal Hijacking In-Context Learning with Budgeted Adversarial Manipulation

Neural Information Processing Systems

Recent research shows that large language models (LLMs) are vulnerable to hijacking attacks under the scenario of in-context learning (ICL) where LLMs demonstrate impressive capabilities in performing tasks by conditioning on a sequence of in-context examples (ICEs) (i.e., prompts with task-specific input-output pairs). Adversaries can manipulate the provided ICEs to steer the model toward attackerspecified outputs, effectively "hijacking" the model's decision-making process. Unlike traditional adversarial attacks targeting single inputs, hijacking attacks in LLMs aim to subtly manipulate the initial few examples to influence the model's behavior across a range of subsequent inputs, which requires distributed and stealthy perturbations. However, existing approaches overlook how to effectively allocate the perturbation budget across ICEs. We argue that fixed budgets miss the potential of dynamic reallocation to improve attack success while maintaining high stealthiness and text quality.


SSTAG: Structure-Aware Self-Supervised Learning Method for Text-Attributed Graphs

Neural Information Processing Systems

Large-scale pre-trained models have revolutionized Natural Language Processing (NLP) and Computer Vision (CV), showcasing remarkable cross-domain generalization abilities. However, in graph learning, models are typically trained on individual graph datasets, limiting their capacity to transfer knowledge across different graphs and tasks. This approach also heavily relies on large volumes of annotated data, which presents a significant challenge in resource-constrained settings. Unlike NLP and CV, graph-structured data presents unique challenges due to its inherent heterogeneity, including domain-specific feature spaces and structural diversity across various applications. To address these challenges, we propose a novel structure-aware self-supervised learning method for Text-Attributed Graphs (SSTAG).


Enhancing Optimizer Stability: Momentum Adaptation of The NGNStep-size

Neural Information Processing Systems

Modern optimization algorithms that incorporate momentum and adaptive stepsize offer improved performance in numerous challenging deep learning tasks. However, their effectiveness is often highly sensitive to the choice of hyperparameters, especially the learning rate (LR). Tuning these parameters is often difficult, resource-intensive, and time-consuming. Therefore, recent efforts have been directed toward enhancing the stability of optimizers across a wide range of hyper-parameter choices [79]. In this paper, we introduce an algorithm that matches the performance of state-of-the-art optimizers while improving stability through a novel adaptation of the NGN step-size method [66]. Specifically, we propose a momentum-based version (NGN-M) that attains the standard convergence rate of O(1/ K)under common assumptions, without the need for interpolation condition or assumptions of bounded stochastic gradients or iterates, in contrast to previous approaches. Additionally, we empirically demonstrate that the combination of the NGN step-size with momentum results in high robustness while delivering performance that is comparable to or surpasses other state-of-the-art optimizers.


CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs

Neural Information Processing Systems

Structure-guided molecular generation is pivotal in early-stage drug discovery, enabling the design of compounds tailored to specific protein targets. However, despite recent advances in 3D generative modeling, particularly in improving docking scores, these methods often produce uncommon and intrinsically unreasonable molecular structures that deviate from drug-like chemical space. To quantify this issue, we propose a novel metric, the Molecule Reasonable Ratio (MRR), which measures structural rationality and reveals a critical gap between existing models and real-world approved drugs. To address this, we introduce the Collaborative Intelligence Drug Design (CIDD) framework, the first approach to unify the 3D interaction modeling capabilities of generative models with the general knowledge and reasoning power of large language models (LLMs). By leveraging LLMbased Chain-of-Thought reasoning, CIDD generates molecules that are not only compatible with protein pockets but also exhibit favorable drug-likeness, structural rationality, and synthetic accessibility. On the CrossDocked2020 benchmark, CIDD consistently improves drug-likeness metrics, including QED, SA, and MRR, across different base generative models, while maintaining competitive binding affinity. Notably, it raises the combined success rate (balancing drug-likeness and binding) from 15.72% to 34.59%, more than doubling previous results. These findings demonstrate the value of integrating knowledge reasoning with geometric generation to advance AI-driven drug design.3