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 Deep Learning


Complexity Scaling Laws for Neural Models using Combinatorial Optimization

arXiv.org Artificial Intelligence

Recent work on neural scaling laws demonstrates that model performance scales predictably with compute budget, model size, and dataset size. In this work, we develop scaling laws based on problem complexity. We analyze two fundamental complexity measures: solution space size and representation space size. Using the Traveling Salesman Problem (TSP) as a case study, we show that combinatorial optimization promotes smooth cost trends, and therefore meaningful scaling laws can be obtained even in the absence of an interpretable loss. We then show that suboptimality grows predictably for fixed-size models when scaling the number of TSP nodes or spatial dimensions, independent of whether the model was trained with reinforcement learning or supervised fine-tuning on a static dataset. We conclude with an analogy to problem complexity scaling in local search, showing that a much simpler gradient descent of the cost landscape produces similar trends.


Boost Post-Training Quantization via Null Space Optimization for Large Language Models

arXiv.org Artificial Intelligence

Existing post-training quantization methods for large language models (LLMs) offer remarkable success. However, the increasingly marginal performance gains suggest that existing quantization strategies are insufficient to support the development of more compressed models. To inspire new directions for future research, this paper introduces the concept of null space into LLMs quantization. We argue that the quantization error can be effectively alleviated by constraining the post-quantization weight perturbation to lie within the null space of input activations. To prove this idea, we propose a plug-and-play null space projection module for existing milestone PTQ baselines named Q2N. Specifically, we first design an efficient and accurate null space projection approximation method tailored to the characteristics of LLMs. Subsequently, we theoretically derive a closed-form solution for an equivalent vector of the obtained projection matrix, which satisfies practical inference condition while avoiding additional memory overhead. Extensive experiments are conducted on various state-of-the-art LLMs (LLaMA3, DeepSeek, Qwen3) and baselines, demonstrating the effectiveness of both our Q2N and the perspective of null space optimization for LLMs quantization. We view this paper the first step to further alleviate the quantization error based on the insights of null space, hoping it inspiring future researchers to design more advanced quantization methods. Codes are available at https://github.com/zjq0455/q2n.


Generalization or Hallucination? Understanding Out-of-Context Reasoning in Transformers

arXiv.org Artificial Intelligence

Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.


Causal Sufficiency and Necessity Improves Chain-of-Thought Reasoning

arXiv.org Artificial Intelligence

Chain-of-Thought (CoT) prompting plays an indispensable role in endowing large language models (LLMs) with complex reasoning capabilities. However, CoT currently faces two fundamental challenges: (1) Sufficiency, which ensures that the generated intermediate inference steps comprehensively cover and substantiate the final conclusion; and (2) Necessity, which identifies the inference steps that are truly indispensable for the soundness of the resulting answer. We propose a causal framework that characterizes CoT reasoning through the dual lenses of sufficiency and necessity. Incorporating causal Probability of Sufficiency and Necessity allows us not only to determine which steps are logically sufficient or necessary to the prediction outcome, but also to quantify their actual influence on the final reasoning outcome under different intervention scenarios, thereby enabling the automated addition of missing steps and the pruning of redundant ones. Extensive experimental results on various mathematical and commonsense reasoning benchmarks confirm substantial improvements in reasoning efficiency and reduced token usage without sacrificing accuracy. Our work provides a promising direction for improving LLM reasoning performance and cost-effectiveness.


Understanding and Mitigating Numerical Sources of Nondeterminism in LLM Inference

arXiv.org Artificial Intelligence

Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the reproducibility of LLM performance is fragile: changing system configuration, such as evaluation batch size, GPU count, and GPU version, can introduce significant differences in the generated responses. This issue is especially pronounced in reasoning models, where minor rounding differences in early tokens can cascade into divergent chains of thought, ultimately affecting accuracy. For instance, under bfloat16 precision with greedy decoding, a reasoning model like DeepSeek-R1-Distill-Qwen-7B can exhibit up to 9% variation in accuracy and 9,000 tokens difference in response length due to differences in GPU count, type, and evaluation batch size. We trace the root cause of this variability to the non-associative nature of floating-point arithmetic under limited numerical precision. This work presents the first systematic investigation into how numerical precision affects reproducibility in LLM inference. Through carefully controlled experiments across various hardware, software, and precision settings, we quantify when and how model outputs diverge. Our analysis reveals that floating-point precision - while critical for reproducibility - is often neglected in evaluation practices. Inspired by this, we develop a lightweight inference pipeline, dubbed LayerCast, that stores weights in 16-bit precision but performs all computations in FP32, balancing memory efficiency with numerical stability. Code is available at https://github.com/nanomaoli/llm_reproducibility.


TRACE: Grounding Time Series in Context for Multimodal Embedding and Retrieval

arXiv.org Artificial Intelligence

The ubiquity of dynamic data in domains such as weather, healthcare, and energy underscores a growing need for effective interpretation and retrieval of time-series data. These data are inherently tied to domain-specific contexts, such as clinical notes or weather narratives, making cross-modal retrieval essential not only for downstream tasks but also for developing robust time-series foundation models by retrieval-augmented generation (RAG). Despite the increasing demand, time-series retrieval remains largely underexplored. Existing methods often lack semantic grounding, struggle to align heterogeneous modalities, and have limited capacity for handling multi-channel signals. To address this gap, we propose TRACE, a generic multimodal retriever that grounds time-series embeddings in aligned textual context. TRACE enables fine-grained channel-level alignment and employs hard negative mining to facilitate semantically meaningful retrieval. It supports flexible cross-modal retrieval modes, including Text-to-Timeseries and Timeseries-to-Text, effectively linking linguistic descriptions with complex temporal patterns. By retrieving semantically relevant pairs, TRACE enriches downstream models with informative context, leading to improved predictive accuracy and interpretability. Beyond a static retrieval engine, TRACE also serves as a powerful standalone encoder, with lightweight task-specific tuning that refines context-aware representations while maintaining strong cross-modal alignment. These representations achieve state-of-the-art performance on downstream forecasting and classification tasks. Extensive experiments across multiple domains highlight its dual utility, as both an effective encoder for downstream applications and a general-purpose retriever to enhance time-series models.


Vision Transformers Don't Need Trained Registers

arXiv.org Artificial Intelligence

We investigate the mechanism underlying a previously identified phenomenon in Vision Transformers - the emergence of high-norm tokens that lead to noisy attention maps (Darcet et al., 2024). We observe that in multiple models (e.g., CLIP, DINOv2), a sparse set of neurons is responsible for concentrating high-norm activations on outlier tokens, leading to irregular attention patterns and degrading downstream visual processing. While the existing solution for removing these outliers involves retraining models from scratch with additional learned register tokens, we use our findings to create a training-free approach to mitigate these artifacts. By shifting the high-norm activations from our discovered register neurons into an additional untrained token, we can mimic the effect of register tokens on a model already trained without registers. We demonstrate that our method produces cleaner attention and feature maps, enhances performance over base models across multiple downstream visual tasks, and achieves results comparable to models explicitly trained with register tokens. We then extend test-time registers to off-the-shelf vision-language models, yielding cleaner attention-based, text-to-image attribution. Finally, we outline a simple mathematical model that reflects the observed behavior of register neurons and high norm tokens. Our results suggest that test-time registers effectively take on the role of register tokens at test-time, offering a training-free solution for any pre-trained model released without them.


Hierarchical Language Models for Semantic Navigation and Manipulation in an Aerial-Ground Robotic System

arXiv.org Artificial Intelligence

Heterogeneous multirobot systems show great potential in complex tasks requiring coordinated hybrid cooperation. However, existing methods that rely on static or task-specific models often lack generalizability across diverse tasks and dynamic environments. This highlights the need for generalizable intelligence that can bridge high-level reasoning with low-level execution across heterogeneous agents. To address this, we propose a hierarchical multimodal framework that integrates a prompted large language model (LLM) with a fine-tuned vision-language model (VLM). At the system level, the LLM performs hierarchical task decomposition and constructs a global semantic map, while the VLM provides semantic perception and object localization, where the proposed GridMask significantly enhances the VLM's spatial accuracy for reliable fine-grained manipulation. The aerial robot leverages this global map to generate semantic paths and guide the ground robot's local navigation and manipulation, ensuring robust coordination even in target-absent or ambiguous scenarios. We validate the framework through extensive simulation and real-world experiments on long-horizon object arrangement tasks, demonstrating zero-shot adaptability, robust semantic navigation, and reliable manipulation in dynamic environments. To the best of our knowledge, this work presents the first heterogeneous aerial-ground robotic system that integrates VLM-based perception with LLM-driven reasoning for global high-level task planning and execution.


Entity-Augmented Neuroscience Knowledge Retrieval Using Ontology and Semantic Understanding Capability of LLM

arXiv.org Artificial Intelligence

Neuroscience research publications encompass a vast wealth of knowledge. Accurately retrieving existing information and discovering new insights from this extensive literature is essential for advancing the field. However, when knowledge is dispersed across multiple sources, current state-of-the-art retrieval methods often struggle to extract the necessary information. A knowledge graph (KG) can integrate and link knowledge from multiple sources. However, existing methods for constructing KGs in neuroscience often rely on labeled data and require domain expertise. Acquiring large-scale, labeled data for a specialized area like neuroscience presents significant challenges. This work proposes novel methods for constructing KG from unlabeled large-scale neuroscience research corpus utilizing large language models (LLM), neuroscience ontology, and text embeddings. We analyze the semantic relevance of neuroscience text segments identified by LLM for building the knowledge graph. We also introduce an entity-augmented information retrieval algorithm to extract knowledge from the KG. Several experiments were conducted to evaluate the proposed approaches. The results demonstrate that our methods significantly enhance knowledge discovery from the unlabeled neuroscience research corpus. The performance of the proposed entity and relation extraction method is comparable to the existing supervised method. It achieves an F1 score of 0.84 for entity extraction from the unlabeled data. The knowledge obtained from the KG improves answers to over 52% of neuroscience questions from the PubMedQA dataset and questions generated using selected neuroscience entities.


The Surprising Effectiveness of Negative Reinforcement in LLM Reasoning

arXiv.org Artificial Intelligence

Reinforcement learning with verifiable rewards (RLVR) is a promising approach for training language models (LMs) on reasoning tasks that elicit emergent long chains of thought (CoTs). Unlike supervised learning, it updates the model using both correct and incorrect samples via policy gradients. To better understand its mechanism, we decompose the learning signal into reinforcing correct responses and penalizing incorrect ones, referred to as Positive and Negative Sample Reinforcement (PSR and NSR), respectively. We train Qwen2.5-Math-7B, Qwen3-4B and Llama-3.1-8B-Instruct on a mathematical reasoning dataset and uncover a surprising result: training with only negative samples -- without reinforcing correct responses -- can be highly effective: it consistently improves performance over the base model across the entire Pass@$k$ spectrum $k$ up to 256), often matching or surpassing PPO and GRPO. In contrast, reinforcing only correct responses improves Pass@1 but degrades performance at higher $k$, due to reduced diversity. These inference-scaling trends highlight that solely penalizing incorrect responses may contribute more to performance than previously recognized. Through gradient analysis, we show that NSR works by suppressing incorrect generations and redistributing probability mass toward other plausible candidates, guided by the model's prior beliefs. It refines the model's existing knowledge rather than introducing entirely new behaviors. Building on this insight, we propose a simple variant of the RL objective that upweights NSR, and show that it consistently improves overall Pass@$k$ performance on MATH, AIME 2025, and AMC23. Our code is available at https://github.com/TianHongZXY/RLVR-Decomposed.