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Fixing It in Post: AComparative Study of LLM Post-Training Data Quality and Model Performance

Neural Information Processing Systems

Recent work on large language models (LLMs) has increasingly focused on posttraining and alignment with datasets curated to enhance instruction following, world knowledge, and specialized skills. However, most post-training datasets used in leading open-and closed-source LLMs remain inaccessible to the public, with limited information about their construction process. This lack of transparency has motivated the recent development of open-source post-training corpora. While training on these open alternatives can yield performance comparable to that of leading models, systematic comparisons remain challenging due to the significant computational cost of conducting them rigorously at scale, and are therefore largely absent. As a result, it remains unclear how specific samples, task types, or curation strategies influence downstream performance when assessing data quality.


DAPO: An Open-Source LLMReinforcement Learning System at Scale

Neural Information Processing Systems

Inference scaling empowers LLMs with unprecedented reasoning ability, with reinforcement learning as the core technique to elicit complex reasoning. However, key technical details of state-of-the-art reasoning LLMs are concealed (such as in OpenAI o1 blog and DeepSeek R1 technical report), thus the community still struggles to reproduce their RL training results. We propose the Decoupled Clip and Dynamic sAmpling Policy Optimization (DAPO) algorithm, and fully opensource a state-of-the-art large-scale RL system that achieves 50 points on AIME 2024 using Qwen2.5-32B


D2SA: Dual-Stage Distribution and Slice Adaptation for Efficient Test-Time Adaptation in MRI Reconstruction

Neural Information Processing Systems

Variations in Magnetic resonance imaging (MRI) scanners and acquisition protocols cause distribution shifts that degrade reconstruction performance on unseen data. Test-time adaptation (TTA) offers a promising solution to address this discrepancies. However, previous single-shot TTA approaches are inefficient due to repeated training and suboptimal distributional models. Self-supervised learning methods may risk over-smoothing in scarce data scenarios. To address these challenges, we propose a novel Dual-Stage Distribution and Slice Adaptation (D2SA) via MRI implicit neural representation (MR-INR) to improve MRI reconstruction performance and efficiency, which features two stages. In the first stage, an MR-INR branch performs patient-wise distribution adaptation by learning shared representations across slices and modelling patient-specific shifts with mean and variance adjustments. In the second stage, single-slice adaptation refines the output from frozen convolutional layers with a learnable anisotropic diffusion module, preventing over-smoothing and reducing computation. Experiments across five MRI distribution shifts demonstrate that our method can integrate well with various self-supervised learning (SSL) framework, improving performance and accelerating convergence under diverse conditions.


Ada-KV: Optimizing KVCache Eviction by Adaptive Budget Allocation for Efficient LLMInference

Neural Information Processing Systems

Large Language Models have excelled in various domains but face efficiency challenges due to the growing Key-Value (KV) cache required for long-sequence inference. Recent efforts aim to reduce KV cache size by evicting vast non-critical cache elements during runtime while preserving generation quality. However, these methods typically allocate compression budgets uniformly across all attention heads, ignoring the unique attention patterns of each head. In this paper, we establish a theoretical loss upper bound between pre-and post-eviction attention output, explaining the optimization target of prior cache eviction methods, while guiding the optimization of adaptive budget allocation. Base on this, we propose Ada-KV, the first head-wise adaptive budget allocation strategy. It offers plug-and-play benefits, enabling seamless integration with prior cache eviction methods. Extensive evaluations on 13 datasets from Ruler and 16 datasets from LongBench, all conducted under both question-aware and question-agnostic scenarios, demonstrate substantial quality improvements over existing methods. Our code is available at https://github.com/FFY0/AdaKV.


Score-informed Neural Operator for Enhancing Ordering-based Causal Discovery

Neural Information Processing Systems

Ordering-based approaches to causal discovery identify topological orders of causal graphs, providing scalable alternatives to combinatorial search methods. Under the Additive Noise Model (ANM) assumption, recent causal ordering methods based on score matching require an accurate estimation of the Hessian diagonal of the log-densities. In this paper, we aim to improve the approximation of the Hessian diagonal of the log-densities, thereby enhancing the performance of orderingbased causal discovery algorithms. Existing approaches that rely on Stein gradient estimators are computationally expensive and memory-intensive, while diffusionmodel-based methods remain unstable due to the second-order derivatives of score models. To alleviate these problems, we propose Score-informed Neural Operator (SciNO), a probabilistic generative model in smooth function spaces designed to stably approximate the Hessian diagonal and to preserve structural information during the score modeling. Empirical results show that SciNO reduces order divergence by 42.7% on synthetic graphs and by 31.5% on real-world datasets on average compared to DiffAN, while maintaining memory efficiency and scalability. Furthermore, we propose a probabilistic control algorithm for causal reasoning with autoregressive models that integrates SciNO's probability estimates with autoregressive model priors, enabling reliable data-driven causal ordering informed by semantic information. Consequently, the proposed method enhances causal reasoning abilities of LLMs without additional fine-tuning or prompt engineering.


Who Reasons in the Large Language Models?

Neural Information Processing Systems

Despite the impressive performance of large language models (LLMs), the process of endowing them with new capabilities--such as mathematical reasoning-- remains largely empirical and opaque. A critical open question is whether reasoning abilities stem from the entire model, specific modules, or are merely artifacts of overfitting. In this work, we hypothesize that the reasoning capabilities in welltrained LLMs are primarily attributed to the output projection module (o_proj) in the Transformer's multi-head self-attention (MHSA) module. To support this hypothesis, we introduce Stethoscope for Networks (SfN), a suite of diagnostic tools designed to probe and analyze the internal behaviors of LLMs. Using SfN, we provide both circumstantial and empirical evidence suggesting that o_proj plays a central role in enabling reasoning, whereas other modules contribute more to fluent dialogue. These findings offer a new perspective on LLM interpretability and open avenues for more targeted training strategies, potentially enabling more efficient and specialized LLMs.


Connecting Neural Models Latent Geometries with Relative Geodesic Representations

Neural Information Processing Systems

Neural models learn representations of high-dimensional data on low-dimensional manifolds. Multiple factors, including stochasticities in the training process, model architectures, and additional inductive biases, may induce different representations, even when learning the same task on the same data. However, it has recently been shown that when a latent structure is shared between distinct latent spaces, relative distances between representations can be preserved, up to distortions. Building on this idea, we demonstrate that exploiting the differential-geometric structure of latent spaces of neural models, it is possible to capture precisely the transformations between representational spaces trained on similar data distributions. Specifically, we assume that distinct neural models parametrize approximately the same underlying manifold, and introduce a representation based on the pullback metric that captures the intrinsic structure of the latent space, while scaling efficiently to large models.


FRAM: Frobenius-Regularized Assignment Matching with Mixed-Precision Computing

Neural Information Processing Systems

Graph matching, usually cast as a discrete Quadratic Assignment Problem (QAP), aims to identify correspondences between nodes in two graphs. Since QAP is NPhard, many methods its discrete constraints by projecting the discrete feasible set onto its convex hull and solving the resulting continuous problem. However, these relaxations inevitably enlarge the feasible set and introduce two errors: sensitivity to numerical scales and geometric misalignment between the relaxed and original feasible domains. To address these issues, we propose a novel relaxation framework to reformulate the projection step as a Frobenius-Regularized Linear Assignment (FRA) problem. This formulation incorporates a tunable regularization term to curb the inflation of the feasible region and ensure numerical scale invariance.


Dimension-adapted Momentum Outscales SGD

Neural Information Processing Systems

We investigate scaling laws for stochastic momentum algorithms with small batch on the power law random features model, parameterized by data complexity, target complexity, and model size. When trained with a stochastic momentum algorithm, our analysis reveals four distinct loss curve shapes determined by varying data-target complexities. While traditional stochastic gradient descent with momentum (SGD-M) yields identical scaling law exponents to SGD, dimension-adapted Nesterov acceleration (DANA) improves these exponents by scaling momentum hyperparameters based on model size and data complexity. This outscaling phenomenon, which also improves compute-optimal scaling behavior, is achieved by DANA across a broad range of data and target complexities, while traditional methods fall short. Extensive experiments on high-dimensional synthetic quadratics validate our theoretical predictions and large-scale text experiments with LSTMs show DANA's improved loss exponents over SGD hold in a practical setting.


An Evidence-Based Post-Hoc Adjustment Framework for Anomaly Detection Under Data Contamination

Neural Information Processing Systems

Unsupervised anomaly detection (AD) methods typically assume clean training data, yet real-world datasets often contain undetected or mislabeled anomalies, leading to significant performance degradation. Existing solutions require access to the training pipelines, data or prior knowledge of the proportions of anomalies in the data, limiting their real-world applicability. To address this challenge, we propose EPHAD, a simple yet effective test-time adaptation framework that updates the outputs of AD models trained on contaminated datasets using evidence gathered at test time. Our approach integrates the prior knowledge captured by the AD model trained on contaminated datasets with evidence derived from multimodal foundation models like Contrastive Language-Image Pre-training (CLIP), classical AD methods like the Local Outlier Factor or domain-specific knowledge. We illustrate the intuition behind EPHAD using a synthetic toy example and validate its effectiveness through comprehensive experiments across eight visual AD datasets, twenty-six tabular AD datasets, and a real-world industrial AD dataset. Additionally, we conduct an ablation study to analyse hyperparameter influence and robustness to varying contamination levels, demonstrating the versatility and robustness of EPHAD across diverse AD models and evidence pairs. To ensure reproducibility, our code is publicly available2.