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Why Diffusion Models Don't Memorize: The Role of Implicit Dynamical Regularization in Training

Neural Information Processing Systems

Diffusion models have achieved remarkable success across a wide range of generative tasks. A key challenge is understanding the mechanisms that prevent their memorization of training data and allow generalization. In this work, we investigate the role of the training dynamics in the transition from generalization to memorization. Through extensive experiments and theoretical analysis, we identify two distinct timescales: an early time ฯ„gen at which models begin to generate high-quality samples, and a later time ฯ„mem beyond which memorization emerges. Crucially, we find that ฯ„mem increases linearly with the training set size n, while ฯ„gen remains constant. This creates a growing window of training times with n where models generalize effectively, despite showing strong memorization if training continues beyond it. It is only when nbecomes larger than a model-dependent threshold that overfitting disappears at infinite training times. These findings reveal a form of implicit dynamical regularization in the training dynamics, which allow to avoid memorization even in highly overparameterized settings. Our results are supported by numerical experiments with standard U-Net architectures on realistic and synthetic datasets, and by a theoretical analysis using a tractable random features model studied in the high-dimensional limit.


Router-R1: Teaching LLMs Multi-Round Routing and Aggregation via Reinforcement Learning

Neural Information Processing Systems

The rapid emergence of diverse large language models (LLMs) has spurred the development of LLM routers that assign user queries to the most suitable model. However, existing LLM routers typically perform a single-round, one-to-one mapping (i.e., assigning each query to a single model in isolation), which limits their capability to tackle complex tasks that demand the complementary strengths of multiple LLMs. In this paper, we present Router-R1, a reinforcement learning (RL)-based framework that formulates multi-LLM routing and aggregation as a sequential decision process. Router-R1 instantiates the router itself as a capable LLM, leveraging its reasoning ability to interleave "think" actions (internal deliberation) with "route" actions (dynamic model invocation), and integrates each response into its evolving context. To facilitate learning, we employ a lightweight rule-based reward comprising format rewards, final outcome rewards, and a novel cost reward for optimizing the balance between performance and cost, opening a pathway toward enhancing performance-cost trade-offs via RL.


Think before Recommendation Autonomous Reasoning enhanced

Neural Information Processing Systems

The core task of recommender systems is to learn user preferences from historical user-item interactions. With the rapid development of large language models (LLMs), recent research has explored leveraging the reasoning capabilities of LLMs to enhance rating prediction tasks. However, existing distillation-based methods suffer from limitations such as the teacher model's insufficient recommendation capability, costly and static supervision, and superficial transfer of reasoning ability. To address these issues, this paper proposes RecZero, a reinforcement learning (RL)-based recommendation paradigm that abandons the traditional multi-model and multi-stage distillation approach. Instead, RecZero trains a single LLM through pure RL to autonomously develop reasoning capabilities for rating prediction. RecZero consists of two key components: (1) "Think-before-Recommendation" prompt construction, which employs a structured reasoning template to guide the model in step-wise analysis of user interests, item features, and user-item compatibility; and (2) rule-based reward modeling, which adopts group relative policy optimization (GRPO) to compute rewards for reasoning trajectories and optimize the LLM. Additionally, the paper explores a hybrid paradigm, RecOne, which combines supervised fine-tuning with RL, initializing the model with coldstart reasoning samples and further optimizing it with RL. Experimental results demonstrate that RecZero and RecOne significantly outperform existing baseline methods on multiple benchmark datasets, validating the superiority of the RL paradigm in achieving autonomous reasoning-enhanced recommender systems.


The Best Instruction-Tuning Data are Those That Fit

Neural Information Processing Systems

High-quality supervised finetuning (SFT) data are essential for unlocking pretrained LLMs' capabilities. Typically, instructions are paired with responses from various sources by humans annotators or other LMs, which are often out of the distribution of the target model to be finetuned. This, at scale, can lead to diminishing returns and even hurt the models' performance and robustness. We hypothesize that SFT is most effective with data aligned to the model's pretrained distribution and propose GRAPE-- a novel SFT framework that tailors supervision to the target model. For each instruction, it gathers responses from various sources, and selects the one that aligns most closely to the target model's pretrained distribution, as measured by the normalized probability. We then proceed with standard SFT with these selected responses. We first evaluate GRAPE with a controlled experiment, where we sample various solutions for each question in UltraInteract from multiple models and finetune on GRAPE-selected data using LMs from different families including LLaMA.1-8B,


Truth over Tricks: Measuring and Mitigating Shortcut Learning in Misinformation Detection

Neural Information Processing Systems

Misinformation detectors often rely on superficial cues (i.e., shortcuts) that correlate with misinformation in training data but fail to generalize to the diverse and evolving nature of real-world misinformation. This issue is exacerbated by large language models (LLMs), which can easily generate convincing misinformation using simple prompts. We introduce TRUTHOVERTRICKS, a unified evaluation paradigm for measuring shortcut learning in misinformation detection. TRUTHOVERTRICKS categorizes shortcut behaviors into intrinsic shortcut induction and extrinsic shortcut injection, and evaluates seven representative detectors across 14 popular benchmarks, along with two new factual misinformation datasets, NQ-Misinfo and Streaming-Misinfo. Empirical results reveal that existing detectors suffer severe performance degradation when exposed to both naturally occurring and adversarially crafted shortcuts. To address this, we propose the Shortcut Mitigation Framework (SMF), an LLM-augmented data augmentation framework that mitigates shortcut reliance through paraphrasing, factual summarization, and sentiment normalization. SMF consistently enhances robustness across 16 benchmarks, forcing models to rely on deeper semantic understanding rather than shortcut cues.


First Attentions Last: Better Exploiting First Attentions for Efficient Transformer Training

Neural Information Processing Systems

As training billion-scale transformers becomes increasingly common, employing multiple distributed GPUs along with parallel training methods has become a standard practice. However, existing transformer designs suffer from significant communication overhead, especially in Tensor Parallelism (TP), where each block's MHA-MLP connection requires an all-reduce communication. Through our investigation, we show that the MHA-MLP connections can be bypassed for efficiency, while the attention output of the first layer can serve as an alternative signal for the bypassed connection. Motivated by the observations, we propose FAL (First Attentions Last), an efficient transformer architecture that redirects the first MHA output to the MLP inputs of the following layers, eliminating the per-block MHA-MLP connections. This removes the all-reduce communication and enables parallel execution of MHA and MLP on a single GPU. We also introduce FAL+, which adds the normalized first attention output to the MHA outputs of the following layers to augment the MLP input for the model quality. Our evaluation shows that FAL reduces multi-GPU training time by up to 44%, improves single-GPU throughput by up to 1.18, and achieves better perplexity compared to the baseline GPT. FAL+ achieves even lower perplexity without increasing the training time than the baseline. Codes are available at: https://casl-ku.github.io/FAL/


scGeneScope: ATreatment-Matched Single Cell Imaging and Transcriptomics Dataset and Benchmark for Treatment Response Modeling

Neural Information Processing Systems

Understanding cellular responses to chemical interventions is critical to the discovery of effective therapeutics. Because individual biological techniques often measure only one axis of cellular response at a time, high-quality multimodal datasets are needed to unlock a holistic understanding of how cells respond to treatments and to advance computational methods that integrate modalities. However, many techniques destroy cells and thus preclude paired measurements, and attempts to match disparate unimodal datasets are often confounded by data being generated in incompatible experimental settings. Here we introduce scGeneScope, a multimodal single-cell RNA sequencing (scRNA-seq) and Cell Painting microscopy image dataset conditionally paired by chemical treatment, designed to facilitate the development and benchmarking of unimodal, multimodal, and multiple profile machine learning methods for cellular profiling.


Reparameterized LLMTraining via Orthogonal Equivalence Transformation

Neural Information Processing Systems

While Large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we propose POET, a novel reParameterized training algorithm that uses Orthogonal Equivalence Transformation to optimize neurons. Specifically, POET reparameterizes each neuron with two learnable orthogonal matrices and a fixed random weight matrix. Because of its provable preservation of spectral properties of weight matrices, POET can stably optimize the objective function with improved generalization. We further develop efficient approximations that make POET flexible and scalable for training large-scale neural networks.


SpatialReasoner: Towards Explicit and Generalizable 3DSpatial Reasoning

Neural Information Processing Systems

Despite recent advances on multi-modal models, 3D spatial reasoning remains a challenging task for state-of-the-art open-source and proprietary models. Recent studies explore data-driven approaches and achieve enhanced spatial reasoning performance by fine-tuning models on 3D-related visual question-answering data. However, these methods typically perform spatial reasoning in an implicit manner and often fail on questions that are trivial to humans, even with long chain-ofthought reasoning. In this work, we introduce SpatialReasoner, a novel large visionlanguage model (LVLM) that addresses 3D spatial reasoning with explicit 3D representations shared between multiple stages-3D perception, computation, and reasoning. Explicit 3D representations provide a coherent interface that supports advanced 3D spatial reasoning and improves the generalization ability to novel question types. Furthermore, by analyzing the explicit 3D representations in multistep reasoning traces of SpatialReasoner, we study the factual errors and identify key shortcomings of current LVLMs. Results show that our SpatialReasoner achieves improved performance on a variety of spatial reasoning benchmarks, outperforming Gemini 2.0 by 9.2% on 3DSRBench, and generalizes better when evaluating on novel 3D spatial reasoning questions.


cdd30bf15e29005a7803f3e4beffb65a-Paper-Conference.pdf

Neural Information Processing Systems

Data duplication within large-scale corpora often impedes large language models' (LLMs) performance and privacy. In privacy-concerned federated learning scenarios, conventional deduplication methods typically rely on trusted third parties to perform uniform deletion, risking loss of informative samples while introducing privacy vulnerabilities. To address these gaps, we propose Federated ReWeighting (FedRW), the first privacy-preserving framework, to the best of our knowledge, that performs soft deduplication via sample reweighting instead of deletion in federated LLM training, without assuming a trusted third party. At its core, FedRW proposes a secure, frequency-aware reweighting protocol through secure multi-party computation, coupled with a parallel orchestration strategy to ensure efficiency and scalability. During training, FedRW utilizes an adaptive reweighting mechanism with global sample frequencies to adjust individual loss contributions, effectively improving generalization and robustness. Empirical results demonstrate that FedRW outperforms the state-of-the-art method by achieving up to 28.78 speedup in preprocessing and approximately 11.42% improvement in perplexity, while offering enhanced security guarantees. FedRW thus establishes a new paradigm for managing duplication in federated LLM training.