Are Expressive Encoders Necessary for Discrete Graph Generation?

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.

Confusion-Aware Rubric Optimization for LLM-based Automated Grading

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.

Optimizing In-Context Demonstrations for LLM-based Automated Grading

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.

Relatron: Automating Relational Machine Learning over Relational Databases

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.

How Do Latent Reasoning Methods Perform Under Weak and Strong Supervision?

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.

How Uncertain Is the Grade? A Benchmark of Uncertainty Metrics for LLM-Based Automatic Assessment

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.

Fix Before Search: Benchmarking Agentic Query Visual Pre-processing in Multimodal Retrieval-augmented Generation

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

Plain Transformers are Surprisingly Powerful Link Predictors

Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on explicit structural heuristics or memory-intensive node embeddings -- approaches that struggle to generalize or scale to massive graphs. Emerging Graph Transformers (GTs) offer a potential alternative but often incur significant overhead due to complex structural encodings, hindering their applications to large-scale link prediction. We challenge these sophisticated paradigms with PENCIL, an encoder-only plain Transformer that replaces hand-crafted priors with attention over sampled local subgraphs, retaining the scalability and hardware efficiency of standard Transformers. Through experimental and theoretical analysis, we show that PENCIL extracts richer structural signals than GNNs, implicitly generalizing a broad class of heuristics and subgraph-based expressivity. Empirically, PENCIL outperforms heuristic-informed GNNs and is far more parameter-efficient than ID-embedding--based alternatives, while remaining competitive across diverse benchmarks -- even without node features. Our results challenge the prevailing reliance on complex engineering techniques, demonstrating that simple design choices are potentially sufficient to achieve the same capabilities.

Co-RedTeam: Orchestrated Security Discovery and Exploitation with LLM Agents

Large language models (LLMs) have shown promise in assisting cybersecurity tasks, yet existing approaches struggle with automatic vulnerability discovery and exploitation due to limited interaction, weak execution grounding, and a lack of experience reuse. We propose Co-RedTeam, a security-aware multi-agent framework designed to mirror real-world red-teaming workflows by integrating security-domain knowledge, code-aware analysis, execution-grounded iterative reasoning, and long-term memory. Co-RedTeam decomposes vulnerability analysis into coordinated discovery and exploitation stages, enabling agents to plan, execute, validate, and refine actions based on real execution feedback while learning from prior trajectories. Extensive evaluations on challenging security benchmarks demonstrate that Co-RedTeam consistently outperforms strong baselines across diverse backbone models, achieving over 60% success rate in vulnerability exploitation and over 10% absolute improvement in vulnerability detection. Ablation and iteration studies further confirm the critical role of execution feedback, structured interaction, and memory for building robust and generalizable cybersecurity agents.

TRAJECT-Bench:A Trajectory-Aware Benchmark for Evaluating Agentic Tool Use

Large language model (LLM)-based agents increasingly rely on tool use to complete real-world tasks. While existing works evaluate the LLMs' tool use capability, they largely focus on the final answers yet overlook the detailed tool usage trajectory, i.e., whether tools are selected, parameterized, and ordered correctly. We introduce TRAJECT-Bench, a trajectory-aware benchmark to comprehensively evaluate LLMs' tool use capability through diverse tasks with fine-grained evaluation metrics. TRAJECT-Bench pairs high-fidelity, executable tools across practical domains with tasks grounded in production-style APIs, and synthesizes trajectories that vary in breadth (parallel calls) and depth (interdependent chains). Besides final accuracy, TRAJECT-Bench also reports trajectory-level diagnostics, including tool selection and argument correctness, and dependency/order satisfaction. Analyses reveal failure modes such as similar tool confusion and parameter-blind selection, and scaling behavior with tool diversity and trajectory length where the bottleneck of transiting from short to mid-length trajectories is revealed, offering actionable guidance for LLMs' tool use.