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Generalizable Insights for Graph Transformers in Theory and Practice

Neural Information Processing Systems

Graph transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to specific design choices and lack comprehensive empirical validation on large-scale data. This leaves a gap between theory and practice, preventing generalizable insights that exceed particular application domains. Here, we propose the GeneralizedDistance Transformer (GDT), a GT architecture based on standard attention that incorporates many recent advancements for GTs, and we develop a fine-grained understanding of the GDT's representation power in terms of attention and PEs. Through extensive experiments, we identify design choices that consistently perform well across various applications, tasks, and model scales, demonstrating strong performance in a few-shot transfer setting without fine-tuning. Our evaluation covers over eight million graphs with roughly 270M tokens across diverse domains, including image-based object detection, molecular property prediction, code summarization, and out-of-distribution algorithmic reasoning.


Dynamic Focused Masking for Embodied Occupancy Prediction

Neural Information Processing Systems

Visual autoregressive modeling has recently demonstrated potential in image tasks by enabling coarse-to-fine, next-level prediction. Most indoor 3D occupancy prediction methods, however, continue to rely on dense voxel grids and convolution-heavy backbones, which incur high computational costs when applying such coarse-tofine frameworks. In contrast, cost-efficient alternatives based on Gaussian representations--particularly in the context of multi-scale autoregression--remain underexplored. To bridge this gap, we propose DFGauss, a Dynamic Focused masking framework for multi-scale 3DGaussian representation. Unlike conventional approaches that refine voxel volumes or 2D projections, DFGauss directly operates in the 3DGaussian parameter space, progressively refining representations across resolutions under hierarchical supervision. Each finer-scale Gaussian is conditioned on its coarser-level counterpart, forming a scale-wise autoregressive process. To further enhance efficiency, we introduce an importance-guided refinement strategy that selectively propagates informative Gaussians across scales, enabling spatially adaptive detail modeling. Experiments on 3D occupancy benchmarks demonstrate that DFGauss achieves competitive performance, highlighting the promise of autoregressive modeling for scalable 3D occupancy prediction.


LIMOPro: Reasoning Refinement for Efficient and Effective Test-time Scaling

Neural Information Processing Systems

Large language models (LLMs) have demonstrated remarkable reasoning capabilities through test-time scaling approaches, particularly when fine-tuned with chain-of-thought (CoT) data distilled from more powerful large reasoning models (LRMs). However, these reasoning chains often contain verbose elements that mirror human problem-solving, categorized as progressive reasoning (the essential solution development path) and functional elements (verification processes, alternative solution approaches, and error corrections). While progressive reasoning is crucial, the functional elements significantly increase computational demands during test-time inference. We introduce PIR (Perplexity-based Importance Refinement), a principled framework that quantitatively evaluates the importance of each reasoning step based on its impact on answer prediction confidence. PIR systematically identifies and selectively prunes only low-importance functional steps while preserving progressive reasoning components, creating optimized training data that maintains the integrity of the core solution path while reducing verbosity. Models fine-tuned on PIR-optimized data exhibit superior test-time scaling properties, generating more concise reasoning chains while achieving improved accuracy (+0.9% to +6.6%) with significantly reduced token usage (-3% to -41%) across challenging reasoning benchmarks (AIME, AMC, and GPQA Diamond). Our approach demonstrates strong generalizability across different model sizes, data sources, and token budgets, offering a practical solution for deploying reasoningcapable LLMs in scenarios where efficient test-time scaling, response time, and computational efficiency are valuable constraints. Code and dataset are available at the LIMOPro.


Data Evolution by Wittgenstein's Rule Following

arXiv.org Machine Learning

This paper introduces Wittgenstein's Rule Following (WRF) data evolution, a framework in philomatics for evolving or generating a new dataset from a sequence of previously observed datasets. The method is inspired by Ludwig Wittgenstein's rule-following considerations and his notion of family resemblance in Philosophical Investigations. Unlike standard synthetic data generation, where the goal is usually to sample from or augment a fixed distribution, WRF aims to continue the implicit rule expressed by a historical sequence of datasets while preserving resemblance to the previous datasets. WRF represents each dataset by structural descriptors rather than pointwise correspondences. These descriptors summarize geometric, distributional, clustering, and, in the supervised case, label-based properties of the data. The method predicts a rule-following target by extrapolating descriptor trajectories and a family-resemblance target by averaging historical descriptors. Candidate datasets are then generated from the observed history through balanced or bounded mixture recombination, scored according to these targets, and optionally refined through differentiable optimization in descriptor space. The proposed framework allows both sample size and feature dimension to vary over time and does not assume that the next dataset is a direct transformation of the last one. Simulations on synthetic and image datasets show that WRF can generate meaningful continuations of evolving datasets in both unsupervised and supervised settings.


GenIR: Generative Visual Feedback for Mental Image Retrieval

Neural Information Processing Systems

Vision-language models (VLMs) have shown strong performance on text-to-image retrieval benchmarks. However, bridging this success to real-world applications remains a challenge. In practice, human search behavior is rarely a one-shot action. Instead, it is often a multi-round process guided by clues in mind. That is, a mental image ranging from vague recollections to vivid mental representations of the target image.


RAD: Towards Trustworthy Retrieval-Augmented Multi-modal Clinical Diagnosis

Neural Information Processing Systems

Clinical diagnosis is a highly specialized discipline requiring both domain expertise and strict adherence to rigorous guidelines. While current AI-driven medical research predominantly focuses on knowledge graphs or natural text pretraining paradigms to incorporate medical knowledge, these approaches primarily rely on implicitly encoded knowledge within model parameters, neglecting task-specific knowledge required by diverse downstream tasks. To address this limitation, we propose Retrieval-Augmented Diagnosis (RAD), a novel framework that explicitly injects external knowledge into multimodal models directly on downstream tasks. Specifically, RAD operates through three key mechanisms: retrieval and refinement of disease-centered knowledge from multiple medical sources, a guidelineenhanced contrastive loss that constrains the latent distance between multi-modal features and guideline knowledge, and the dual transformer decoder that employs guidelines as queries to steer cross-modal fusion, aligning the models with clinical diagnostic workflows from guideline acquisition to feature extraction and decision-making. Moreover, recognizing the lack of quantitative evaluation of interpretability for multimodal diagnostic models, we introduce a set of criteria to assess the interpretability from both image and text perspectives. Extensive evaluations across four datasets with different anatomies demonstrate RAD's generalizability, achieving state-of-the-art performance. Furthermore, RAD enables the model to concentrate more precisely on abnormal regions and critical indicators, ensuring evidence-based, trustworthy diagnosis. Our code is available at this repository.


Training R&DAnalysis Backtest ModelFinancial ModelMarket

Neural Information Processing Systems

Financial markets pose fundamental challenges for asset return prediction due to their high dimensionality, non-stationarity, and persistent volatility. Despite advances in large language models and multi-agent systems, current quantitative research pipelines suffer from limited automation, weak interpretability, and fragmented coordination across key components such as factor mining and model innovation. In this paper, we propose R&D-Agent for Quantitative Finance, in short R&D-Agent(Q), the first data-centric multi-agent framework designed to automate the full-stack research and development of quantitative strategies via coordinated factor-model co-optimization. R&D-Agent(Q)decomposes the quant process into two iterative stages: a Research stage that dynamically sets goal-aligned prompts, formulates hypotheses based on domain priors, and maps them to concrete tasks, and a Development stage that employs a code-generation agent, Co-STEER, to implement task-specific code, which is then executed in real-market backtests. The two stages are connected through a feedback stage that thoroughly evaluates experimental outcomes and informs subsequent iterations, with a multi-armed bandit scheduler for adaptive direction selection. Empirically, R&D-Agent(Q) achieves up to 2 higher annualized returns than classical factor libraries using 70% fewer factors, and outperforms state-of-the-art deep time-series models on real markets. Its joint factor-model optimization delivers a strong balance between predictive accuracy and strategy robustness.


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.


TokenSqueeze: Performance-Preserving Compression for Reasoning LLMs

Neural Information Processing Systems

Emerging reasoning LLMs such as OpenAI-o1 and DeepSeek-R1 have achieved strong performance on complex reasoning tasks by generating long chain-ofthought (CoT) traces. However, these long CoTs result in increased token usage, leading to higher inference latency and memory consumption. As a result, balancing accuracy and reasoning efficiency has become essential for deploying reasoning LLMs in practical applications. Existing long-to-short (Long2Short) methods aim to reduce inference length but often sacrifice accuracy, revealing a need for an approach that maintains performance while lowering token costs. To address this efficiency-accuracy tradeoff, we propose TokenSqueeze, a novel Long2Short method that condenses reasoning paths while preserving performance and relying exclusively on self-generated data. First, to prevent performance degradation caused by excessive compression of reasoning depth, we propose to select self-generated samples whose reasoning depth is adaptively matched to the complexity of the problem. To further optimize the linguistic expression without altering the underlying reasoning paths, we introduce a distribution-aligned linguistic refinement method that enhances the clarity and conciseness of the reasoning path while preserving its logical integrity. Comprehensive experimental results demonstrated the effectiveness of TokenSqueeze in reducing token usage while maintaining accuracy. Notably, DeepSeek-R1-Distill-Qwen-7B fine-tuned by using our proposed method achieved a 50% average token reduction while preserving accuracy on the MATH500 benchmark.


AURA: Adaptive Uncertainty-aware Refinement for LLM-as-a-Judge Auditing

arXiv.org Machine Learning

Large language models (LLMs) are increasingly used as judges for open-ended generation, as large-scale human evaluation is often expensive and difficult to scale, yet their preferences remain imperfect proxies for human judgment. Existing auditing pipelines often assume that a reliable subset of examples or clean supervision signals are available beforehand, for example from human annotation, heuristic filtering, or the outputs of strong judges. In LLM evaluation, this assumption is fragile: the initial split may inherit judge bias, while human verification is typically too scarce to define stable groups at scale. We propose AURA, an adaptive uncertainty--aware refinement framework for auditing pairwise LLM--as--a--judge decisions under selected human verification. AURA iteratively learns a human-consistency signal, propagates reliable evidence, and prioritizes uncertain comparisons for human review. The key idea is to treat trust in a judge as a latent quantity that is progressively refined as evidence accumulates. We provide a compact formulation, a stable refinement procedure, and a comprehensive evaluation on both synthetic and real pairwise LLM-answer data.