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Interpretable Next-token Prediction via the Generalized Induction Head

Neural Information Processing Systems

While large transformer models excel in predictive performance, their lack of interpretability restricts their usefulness in high-stakes domains. To remedy this, we propose the Generalized Induction-Head Model (GIM), an interpretable model for next-token prediction inspired by the observation of "induction heads" in LLMs. GIM is a retrieval-based module that identifies similar sequences in the input context by combining exact n-gram matching and fuzzy matching based on a neural similarity metric. We evaluate GIM in two settings: language modeling and fMRI response prediction. In language modeling, GIM improves next-token prediction by up to 25%p over interpretable baselines, significantly narrowing the gap with black-box LLMs. In an fMRI setting, GIM improves neural response prediction by 20% and offers insight into the language selectivity of the brain. GIM represents a significant step toward uniting interpretability and performance across domains.


Trajectory Bellman Residual Minimization: ASimple Value-Based Method for LLMReasoning

Neural Information Processing Systems

Policy-based methods currently dominate reinforcement learning (RL) pipelines for large language model (LLM) reasoning, leaving value-based approaches largely unexplored. We revisit the classical paradigm of Bellman Residual Minimization and introduce Trajectory Bellman Residual Minimization (TBRM), an algorithm that naturally adapts this idea to LLMs, yielding a simple yet effective off-policy algorithm that optimizes a single trajectory-level Bellman objective using the model's own logits as Q-values. TBRM removes the need for critics, importancesampling ratios, or clipping, and can operate with only one rollout per prompt. We prove convergence to the near-optimal KL-regularized policy from arbitrary offpolicy data via an improved change-of-trajectory-measure analysis. Experiments on standard mathematical-reasoning benchmarks show that TBRM matches or surpasses policy-based baselines, like PPO and GRPO, with comparable or lower computational and memory overhead. Our results indicate that value-based RL might be a principled and efficient alternative for enhancing reasoning capabilities in LLMs.


Seeds of Structure: Patch PCAReveals Universal Compositional Cues in Diffusion Models

Neural Information Processing Systems

Diffusion models transform random noise into images of remarkable fidelity, yet the structure of this noise-to-image map remains largely unexplored. We investigate this relationship using patch-wise Principal Component Analysis (PCA) and empirically demonstrate that low-frequency components of the initial noise predominantly influence the compositional structure of generated images. Our analyses reveal that noise seeds inherently contain universal compositional cues, evident when identical seeds produce images with similar structural attributes across different datasets and model architectures. Leveraging these insights, we develop and theoretically justify a simple yet effective Patch PCA denoiser that extracts underlying structure from noise using only generic natural image statistics. The robustness of these structural cues is observed to persist across both pixel-space models and latent diffusion models, highlighting their fundamental nature. Finally, we introduce a zero-shot editing method that enables injecting compositional control over generated images, providing an intuitive approach to guided generation without requiring model fine-tuning or additional training.


Critical Batch Size Revisited: ASimple Empirical Approach to Large-Batch Language Model Training

Neural Information Processing Systems

The right batch size is important when training language models at scale: a large batch size is necessary for fast training, but a batch size that is too large will harm token efficiency. To navigate this tradeoff, McCandlish et al. (2018) suggest that a critical batch size (CBS), below which training will not substantially degrade loss, can be estimated based on the gradient noise scale during training. While their method has been adopted in practice, e.g., when training GPT-3, strong assumptions are required to justify gradient noise as a proxy for the CBS, which makes it unclear whether their approach should be trusted in practice, limiting its applicability. In this paper, we introduce a simple, empirical approach to directly measure the CBS and show how the CBS evolves over training. Applying our approach to the OLMo models, we find that CBS is near 0 at initialization, increases rapidly at first, and then plateaus as training progresses. Furthermore, we find that this trend holds across different model sizes (1B and 7B), suggesting CBS from small training runs can inform larger-scale training runs. Our findings about how the CBS changes over training motivate batch size warmup as a natural way to reliably train language models at large batch size: start the batch size small and increase it as the CBS grows. To validate this claim, we use batch size warmup to train OLMo 1B to slightly better loss than the original training run with 43% fewer gradient steps. This shows how our framework can be applied to reliably train language models at larger batch sizes, increasing data parallelism without compromising performance.


SimpleStrat: Diversifying Language Model Generation with Stratification

Neural Information Processing Systems

Generating diverse responses from large language models (LLMs) is crucial for applications such as adversarial testing, search, and synthetic data generation, where diversity provides distinct answers across generations. Previous approaches rely solely on increasing the temperature, sacrificing quality. Furthermore, the model's next-token probabilities may not be representative of the true answer distribution. To combat these challenges, we propose SimpleStrat, an alternative that uses the language sample. To model measure itself resampling to partition divers the ity solution, we introduce space int Co o verageQA, strata from a dataset which of to underspecified questions with multiple equally plausible answers. We propose measuring resampling diversity as the KLDivergence between the response distribution and the uniform distribution over valid ground truth answers and use recall as an alternative when assessing proprietary models. On CoverageQA, SimpleStrat improves diversity across all temperatures, showing orthogonal benefits. Quantifiably, we achieve as much as 4X better recall when applied to GPT-4o, and an average reLineduction in KL divergence by 0.36 when applied to Llama 3. Furthermore, we showthat SimpleStrat achieves more resampling diversity at temperature T=0 than scaling and temperature dataset available to T=1 at on https://github.com/j


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Neural Information Processing Systems

To encode structure, FactoredScenes learns are dra a wn, library then of uses functions large language capturing models reusable to generate layout patterns high-lev from el programs, which scenes regularized a program-conditioned by the learned library model . T to o represent hierarchically scene predict variations, object FactoredScenes poses, and retrie learns ves and real-w places orld 3D rooms objects that in are a dif scene.




Diffusing DeBias: Synthetic Bias Amplification for Model Debiasing

Neural Information Processing Systems

The effectiveness of deep learning models in classification tasks is often challenged by the quality and quantity of training data whenever they are affected by strong spurious correlations between specific attributes and target labels. This results in a form of bias affecting training data, which typically leads to unrecoverable weak generalization in prediction. This paper addresses this problem by leveraging bias amplification with generated synthetic data only: we introduce Diffusing DeBias (DDB), a novel approach acting as a plug-in for common methods of unsupervised model debiasing, exploiting the inherent bias-learning tendency of diffusion models in data generation. Specifically, our approach adopts conditional diffusion models to generate synthetic bias-aligned images, which fully replace the original training set for learning an effective bias amplifier model to be subsequently incorporated into an end-to-end and a two-step unsupervised debiasing approach. By tackling the fundamental issue of bias-conflicting training samples' memorization in learning auxiliary models, typical of this type of technique, our proposed method outperforms the current state-of-the-art in multiple benchmark datasets, demonstrating its potential as a versatile and effective tool for tackling bias in deep learning models.


Hybrid Re-matching for Continual Learning with Parameter-efficient Tuning

Neural Information Processing Systems

Continual learning seeks to enable a model to assimilate knowledge from nonstationary data streams without catastrophic forgetting. Recently, methods based on Parameter-Efficient Tuning (PET) have achieved superior performance without even storing any historical exemplars, which train much fewer specific parameters for each task upon a frozen pre-trained model, and tailored parameters are retrieved to guide predictions during inference. However, reliance solely on pretrained features for parameter matching exacerbates the inconsistency between the training and inference phases, thereby constraining the overall performance. To address this issue, we propose HRM-PET, which makes full use of the richer downstream knowledge inherently contained in the trained parameters. Specifically, we introduce a hybrid re-matching mechanism, which benefits from the initial predicted distribution to facilitate the parameter selections. The direct rematching addresses misclassified samples identified with correct task identity in prediction, despite incorrect initial matching. Moreover, the confidence-based re-matching is specifically designed to handle other more challenging mismatched samples that cannot be calibrated by the former. Besides, to acquire task-invariant knowledge for better matching, we integrate a cross-task instance relationship distillation module into the PET-based method. Extensive experiments conducted on four datasets under five pre-trained settings demonstrate that HRM-PET performs favorably against the state-of-the-art methods.