Abstract:KV cache growth is a major bottleneck for long-context inference in large language models. Existing methods are often dominated by binary eviction or representation approximation, which may underutilize tokens that are not critical for exact retention but are still reconstructable. We present VECTOR, a plug-and-play augmentation for eviction-based pipelines that introduces three-way token routing: retention, approximation, and eviction. VECTOR combines an importance signal from the base scorer with a reconstructability signal from an offline-calibrated regression-based value estimation. By leveraging reconstructability, VECTOR recovers useful value information that would otherwise be irreversibly lost under binary eviction, while preserving key vectors for attention routing stability. Experimental results show that VECTOR improves quality-memory trade-offs under medium-to-high compression, with especially clear gains in stricter budget regimes.
Abstract:Retrieval-Augmented Generation (RAG) has become a powerful and widely used approach for improving large language models by grounding generation in retrieved evidence. However, RAG systems still produce incorrect answers in many cases. Why RAG fails despite having access to external information remains poorly understood. We present a model-internal study of retrieval-augmented generation that examines how retrieved evidence influences answer generation. Using circuit tracing, we construct attribution graphs that model the flow of information through transformer layers during decoding. These graphs represent interactions among retrieved context, intermediate model activations, and generated tokens, providing a graph, circuit-level view of how external evidence is integrated into the model's reasoning process across multiple question answering benchmarks, we observe consistent structural differences: correct predictions exhibit deeper reasoning paths, more distributed evidence flow, and a more structured pattern of local connectivity, while failed predictions show shallower, fragmented, and overly concentrated evidence flow. Building on these findings, we develop a graph-based error detection framework that uses attribution-graph topology features. Furthermore, we show that attribution graphs enable targeted interventions. By reinforcing question-constrained evidence grounding, we reshape internal routing so that answer generation remains guided by the question, leading to more effective integration of retrieved information and fewer errors.
Abstract:Reasoning hallucinations in large language models (LLMs) often appear as fluent yet unsupported conclusions that violate either the given context or underlying factual knowledge. Although such failures are widely observed, the mechanisms by which decoder-only Transformers produce them remain poorly understood. We model next-token prediction as a graph search process over an underlying graph, where entities correspond to nodes and learned transitions form edges. From this perspective, contextual reasoning is a constrained search over a sampled subgraph (intrinsic reasoning), while context-free queries rely on memorized structures in the underlying graph (extrinsic reasoning). We show that reasoning hallucinations arise from two fundamental mechanisms: \textbf{Path Reuse}, where memorized knowledge overrides contextual constraints during early training, and \textbf{Path Compression}, where frequently traversed multi-step paths collapse into shortcut edges in later training. Together, these mechanisms provide a unified explanation for reasoning hallucinations in LLMs and connected to well-known behaviors observed in downstream applications.
Abstract:Discrete graph generation has emerged as a powerful paradigm for modeling graph data, often relying on highly expressive neural backbones such as transformers or higher-order architectures. We revisit this design choice by introducing GenGNN, a modular message-passing framework for graph generation. Diffusion models with GenGNN achieve more than 90% validity on Tree and Planar datasets, within margins of graph transformers, at 2-5x faster inference speed. For molecule generation, DiGress with a GenGNN backbone achieves 99.49% Validity. A systematic ablation study shows the benefit provided by each GenGNN component, indicating the need for residual connections to mitigate oversmoothing on complicated graph-structure. Through scaling analyses, we apply a principled metric-space view to investigate learned diffusion representations and uncover whether GNNs can be expressive neural backbones for discrete diffusion.
Abstract:Automated assessment of open-ended student responses is a critical capability for scaling personalized feedback in education. While large language models (LLMs) have shown promise in grading tasks via in-context learning (ICL), their reliability is heavily dependent on the selection of few-shot exemplars and the construction of high-quality rationales. Standard retrieval methods typically select examples based on semantic similarity, which often fails to capture subtle decision boundaries required for rubric adherence. Furthermore, manually crafting the expert rationales needed to guide these models can be a significant bottleneck. To address these limitations, we introduce GUIDE (Grading Using Iteratively Designed Exemplars), a framework that reframes exemplar selection and refinement in automated grading as a boundary-focused optimization problem. GUIDE operates on a continuous loop of selection and refinement, employing novel contrastive operators to identify "boundary pairs" that are semantically similar but possess different grades. We enhance exemplars by generating discriminative rationales that explicitly articulate why a response receives a specific score to the exclusion of adjacent grades. Extensive experiments across datasets in physics, chemistry, and pedagogical content knowledge demonstrate that GUIDE significantly outperforms standard retrieval baselines. By focusing the model's attention on the precise edges of rubric, our approach shows exceptionally robust gains on borderline cases and improved rubric adherence. GUIDE paves the way for trusted, scalable assessment systems that align closely with human pedagogical standards.
Abstract:Accurate and unambiguous guidelines are critical for large language model (LLM) based graders, yet manually crafting these prompts is often sub-optimal as LLMs can misinterpret expert guidelines or lack necessary domain specificity. Consequently, the field has moved toward automated prompt optimization to refine grading guidelines without the burden of manual trial and error. However, existing frameworks typically aggregate independent and unstructured error samples into a single update step, resulting in "rule dilution" where conflicting constraints weaken the model's grading logic. To address these limitations, we introduce Confusion-Aware Rubric Optimization (CARO), a novel framework that enhances accuracy and computational efficiency by structurally separating error signals. CARO leverages the confusion matrix to decompose monolithic error signals into distinct modes, allowing for the diagnosis and repair of specific misclassification patterns individually. By synthesizing targeted "fixing patches" for dominant error modes and employing a diversity-aware selection mechanism, the framework prevents guidance conflict and eliminates the need for resource-heavy nested refinement loops. Empirical evaluations on teacher education and STEM datasets demonstrate that CARO significantly outperforms existing SOTA methods. These results suggest that replacing mixed-error aggregation with surgical, mode-specific repair yields robust improvements in automated assessment scalability and precision.
Abstract:Predictive modeling over relational databases (RDBs) powers applications, yet remains challenging due to capturing both cross-table dependencies and complex feature interactions. Relational Deep Learning (RDL) methods automate feature engineering via message passing, while classical approaches like Deep Feature Synthesis (DFS) rely on predefined non-parametric aggregators. Despite performance gains, the comparative advantages of RDL over DFS and the design principles for selecting effective architectures remain poorly understood. We present a comprehensive study that unifies RDL and DFS in a shared design space and conducts architecture-centric searches across diverse RDB tasks. Our analysis yields three key findings: (1) RDL does not consistently outperform DFS, with performance being highly task-dependent; (2) no single architecture dominates across tasks, underscoring the need for task-aware model selection; and (3) validation accuracy is an unreliable guide for architecture choice. This search yields a model performance bank that links architecture configurations to their performance; leveraging this bank, we analyze the drivers of the RDL-DFS performance gap and introduce two task signals -- RDB task homophily and an affinity embedding that captures size, path, feature, and temporal structure -- whose correlation with the gap enables principled routing. Guided by these signals, we propose Relatron, a task embedding-based meta-selector that chooses between RDL and DFS and prunes the within-family search. Lightweight loss-landscape metrics further guard against brittle checkpoints by preferring flatter optima. In experiments, Relatron resolves the "more tuning, worse performance" effect and, in joint hyperparameter-architecture optimization, achieves up to 18.5% improvement over strong baselines with 10x lower cost than Fisher information-based alternatives.
Abstract:Latent reasoning has been recently proposed as a reasoning paradigm and performs multi-step reasoning through generating steps in the latent space instead of the textual space. This paradigm enables reasoning beyond discrete language tokens by performing multi-step computation in continuous latent spaces. Although there have been numerous studies focusing on improving the performance of latent reasoning, its internal mechanisms remain not fully investigated. In this work, we conduct a comprehensive analysis of latent reasoning methods to better understand the role and behavior of latent representation in the process. We identify two key issues across latent reasoning methods with different levels of supervision. First, we observe pervasive shortcut behavior, where they achieve high accuracy without relying on latent reasoning. Second, we examine the hypothesis that latent reasoning supports BFS-like exploration in latent space, and find that while latent representations can encode multiple possibilities, the reasoning process does not faithfully implement structured search, but instead exhibits implicit pruning and compression. Finally, our findings reveal a trade-off associated with supervision strength: stronger supervision mitigates shortcut behavior but restricts the ability of latent representations to maintain diverse hypotheses, whereas weaker supervision allows richer latent representations at the cost of increased shortcut behavior.
Abstract:The rapid rise of large language models (LLMs) is reshaping the landscape of automatic assessment in education. While these systems demonstrate substantial advantages in adaptability to diverse question types and flexibility in output formats, they also introduce new challenges related to output uncertainty, stemming from the inherently probabilistic nature of LLMs. Output uncertainty is an inescapable challenge in automatic assessment, as assessment results often play a critical role in informing subsequent pedagogical actions, such as providing feedback to students or guiding instructional decisions. Unreliable or poorly calibrated uncertainty estimates can lead to unstable downstream interventions, potentially disrupting students' learning processes and resulting in unintended negative consequences. To systematically understand this challenge and inform future research, we benchmark a broad range of uncertainty quantification methods in the context of LLM-based automatic assessment. Although the effectiveness of these methods has been demonstrated in many tasks across other domains, their applicability and reliability in educational settings, particularly for automatic grading, remain underexplored. Through comprehensive analyses of uncertainty behaviors across multiple assessment datasets, LLM families, and generation control settings, we characterize the uncertainty patterns exhibited by LLMs in grading scenarios. Based on these findings, we evaluate the strengths and limitations of different uncertainty metrics and analyze the influence of key factors, including model families, assessment tasks, and decoding strategies, on uncertainty estimates. Our study provides actionable insights into the characteristics of uncertainty in LLM-based automatic assessment and lays the groundwork for developing more reliable and effective uncertainty-aware grading systems in the future.
Abstract:Multimodal Retrieval-Augmented Generation (MRAG) has emerged as a key paradigm for grounding MLLMs with external knowledge. While query pre-processing (e.g., rewriting) is standard in text-based RAG, existing MRAG pipelines predominantly treat visual inputs as static and immutable, implicitly assuming they are noise-free. However, real-world visual queries are often ``imperfect'' -- suffering from geometric distortions, quality degradation, or semantic ambiguity -- leading to catastrophic retrieval failures. To address this gap, we propose V-QPP-Bench, the first comprehensive benchmark dedicated to Visual Query Pre-processing (V-QPP). We formulate V-QPP as an agentic decision-making task where MLLMs must autonomously diagnose imperfections and deploy perceptual tools to refine queries. Our extensive evaluation across 46,700 imperfect queries and diverse MRAG paradigms reveals three critical insights: (1) Vulnerability -- visual imperfections severely degrade both retrieval recall and end-to-end MRAG performance; (2) Restoration Potential \& Bottleneck -- while oracle preprocessing recovers near-perfect performance, off-the-shelf MLLMs struggle with tool selection and parameter prediction without specialized training; and (3) Training Enhancement -- supervised fine-tuning enables compact models to achieve comparable or superior performance to larger proprietary models, demonstrating the benchmark's value for developing robust MRAG systems The code is available at https://github.com/phycholosogy/VQQP_Bench