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Unifying Attention Heads and Task Vectors via Hidden State Geometry in In-Context Learning

Neural Information Processing Systems

The unusual properties of in-context learning (ICL) have prompted investigations into the internal mechanisms of large language models. Prior work typically focuses on either special attention heads or task vectors at specific layers, but lacks a unified framework linking these components to the evolution of hidden states across layers that ultimately produce the model's output. In this paper, we propose such a framework for ICL primarily in classification tasks by analyzing two geometric factors that govern performance: the separability and alignment of query hidden states. A fine-grained analysis of layer-wise dynamics reveals a striking two-stage mechanism--separability emerges in early layers, while alignment develops in later layers. Ablation studies further show that Previous Token Heads drive separability, while Induction Heads and task vectors enhance alignment. Our findings thus bridge the gap between attention heads and task vectors, offering a unified account of ICL's underlying mechanisms.1


TrajAgent: An LLM-Agent Framework for Trajectory Modeling via Large-and-Small Model Collaboration

Neural Information Processing Systems

Trajectory modeling, which includes research on trajectory data pattern mining and future prediction, has widespread applications in areas such as life services, urban transportation, and public administration. Numerous methods have been proposed to address specific problems within trajectory modeling. However, the heterogeneity of data and the diversity of trajectory tasks make effective and reliable trajectory modeling an important yet highly challenging endeavor, even for domain experts. In this paper, we propose TrajAgent, a agent framework powered by large language models (LLMs), designed to facilitate robust and efficient trajectory modeling through automation modeling. This framework leverages and optimizes diverse specialized models to address various trajectory modeling tasks across different datasets effectively. In TrajAgent, we first develop UniEnv, an execution environment with a unified data and model interface, to support the execution and training of various models. Building on UniEnv, we introduce an agentic workflow designed for automatic trajectory modeling across various trajectory tasks and data. Furthermore, we introduce collaborative learning schema between LLM-based agents and small speciallized models, to enhance the performance of the whole framework effectively. Extensive experiments on four tasks using four real-world datasets demonstrate the effectiveness of TrajAgent in automated trajectory modeling, achieving a performance improvement of 2.38%-69.91%


Continuous Thought Machines

Neural Information Processing Systems

Biological brains demonstrate complex neural activity, where neural dynamics are critical to how brains process information. Most artificial neural networks ignore the complexity of individual neurons .


LinPrim: Linear Primitives for Differentiable Volumetric Rendering

Neural Information Processing Systems

Volumetric rendering has become central to modern novel view synthesis methods, which use differentiable rendering to optimize 3D scene representations directly from observed views. While many recent works build on NeRF [18] or 3DGaussians [13], we explore an alternative volumetric scene representation. More specifically, we introduce two new scene representations based on linear primitives--octahedra and tetrahedra--both of which define homogeneous volumes bounded by triangular faces. To optimize these primitives, we present a differentiable rasterizer that runs efficiently on GPUs, allowing end-to-end gradientbased optimization while maintaining real-time rendering capabilities. Through experiments on real-world datasets, we demonstrate comparable performance to state-of-the-art volumetric methods while requiring fewer primitives to achieve similar reconstruction fidelity. Our findings deepen the understanding of 3D representations by providing insights into the fidelity and performance characteristics of transparent polyhedra and suggest that adopting novel primitives can expand the available design space. 1


Enhancing Contrastive Learning with Variable Similarity

Neural Information Processing Systems

Contrastive learning has achieved remarkable success in self-supervised learning by pretraining a generalizable feature representation based on the augmentation invariance. Most existing approaches assume that different augmented views of the same instance (i.e., the positive pairs) remain semantically invariant. However, the augmentation results with varying extent may introduce semantic discrepancies or even content distortion, and thus the conventional (pseudo) supervision from augmentation invariance may lead to misguided learning objectives. In this paper, we propose a novel method called Contrastive Learning with Variable Similarity (CLVS) to accurately characterize the intrinsic similarity relationships between different augmented views. Our method dynamically adjusts the similarity based on the augmentation extent, and it ensures that strongly augmented views are always assigned lower similarity scores than weakly augmented ones. We provide a theoretical analysis to guarantee the effectiveness of the variable similarity in improving model generalizability. Extensive experiments demonstrate the superiority of our approach, achieving gains of 2.1% on ImageNet-100 and 1.4% on ImageNet-1k compared with the state-of-the-art methods.


Neural Networks for Learnable and Scalable Influence Estimation of Instruction Fine-Tuning Data

Neural Information Processing Systems

Influence functions provide crucial insights into model training, but existing methods suffer from large computational costs and limited generalization. Particularly, recent works have proposed various metrics and algorithms to calculate the influence of data using language models, which do not scale well with large models and datasets. This is because of the expensive forward and backward passes required for computation, substantial memory requirements to store large models, and poor generalization of influence estimates to new data. In this paper, we explore the use of small neural networks - which we refer to as the InfluenceNetwork - to estimate influence values, achieving up to 99% cost reduction. Our evaluation demonstrates that influence values can be estimated with models just 0.0007% the size of full language models (we average across 1.5B-22B versions). We apply our algorithm of estimating influence values (called NN-CIFT: Neural Networks for effiCient Instruction Fine-Tuning) to the downstream task of subset selection for general instruction fine-tuning. In our study, we include four state-of-the-art influence functions and show no compromise in performance, despite large speedups, between NN-CIFT and the original influence functions. We provide an in-depth hyperparameter analyses of NN-CIFT.



Web-Scale Collection of Video Data for 4DAnimal Reconstruction

Neural Information Processing Systems

Computer vision for animals holds great promise for wildlife research but often depends on large-scale data, while existing collection methods rely on controlled capture setups. Recent data-driven approaches show the potential of single-view, non-invasive analysis, yet current animal video datasets are limited--offering as few as 2.4K 15-frame clips and lacking key processing for animal-centric 3D/4D tasks. We introduce an automated pipeline that mines YouTube videos and processes them into object-centric clips, along with auxiliary annotations valuable for downstream tasks like pose estimation, tracking, and 3D/4D reconstruction. Using this pipeline, we amass 30K videos (2M frames)--an order of magnitude more than prior works. To demonstrate its utility, we focus on the 4D quadruped animal reconstruction task. To support this task, we present Animal-in-Motion (AiM), a benchmark of 230 manually filtered sequences with 11K frames showcasing clean, diverse animal motions. We evaluate state-of-the-art model-based and model-free methods on Animal-in-Motion, finding that 2D metrics favor the former despite unrealistic 3D shapes, while the latter yields more natural reconstructions but scores lower--revealing a gap in current evaluation. To address this, we enhance a recent model-free approach with sequence-level optimization, establishing the first 4D animal reconstruction baseline. Together, our pipeline, benchmark, and baseline aim to advance large-scale, markerless 4D animal reconstruction and related tasks from in-the-wild videos.


One Filters All: AGeneralist Filter for State Estimation

Neural Information Processing Systems

Estimating hidden states in dynamical systems, also known as optimal filtering, is a long-standing problem in various fields of science and engineering. In this paper, we introduce a general filtering framework, LLM-Filter1, which leverages large language models (LLMs) for state estimation by embedding noisy observations with text prototypes. In various experiments for classical dynamical systems, we find that first, state estimation can significantly benefit from the reasoning knowledge embedded in pre-trained LLMs. By achieving proper modality alignment with the frozen LLM, LLM-Filter outperforms the state-of-the-art learning-based approaches. Second, we carefully design the prompt structure, System-as-Prompt (SaP), incorporating task instructions that enable the LLM to understand the estimation tasks. Guided by these prompts, LLM-Filter exhibits exceptional generalization, capable of performing filtering tasks accurately in changed or even unseen environments. We further observe a scaling-law behavior in LLM-Filter, where accuracy improves with larger model sizes and longer training times. These findings make LLM-Filter a promising foundation model of filtering.


Iterative Missing Data Imputation with Model Form Adaptation and Non-Missing Feature Supervision

Neural Information Processing Systems

Iterative imputation is a prevalent method for missing data imputation, where each feature is imputed iteratively by treating it as a target variable estimated from all other features. However, iterative imputation method suffers from two principal limitations: it imposes a single parametric model form to impute all features, neglecting the potential for optimal models to vary among features, which risks model misspecification; and it assumes every feature contains missing values, overlooking the potential presence of non-missing features, termed as oracle features, which are informative for imputation. To address these limitations, we propose kernel point imputation (KPI), a bi-level optimization framework for iterative missing data imputation. At the inner level, KPI adaptively learns the optimal model form for each feature within a reproducing kernel Hilbert space, addressing limitation . At the outer level, KPI utilizes oracle features as supervisory signals to iteratively refine the imputations, addressing limitation . Experiments demonstrate that KPI outperforms competitive imputation methods. Code is available at https://github.com/FMLYD/kpi.git.