Geometry optimization of atomic structures is a common and crucial task in computational chemistry and materials design. Following the learning to optimize paradigm, we propose a new multi-agent reinforcement learning method called Multi-Agent Crystal Structure optimization (MACS) to address periodic crystal structure optimization. MACS treats geometry optimization as a partially observable Markov game in which atoms are agents that adjust their positions to collectively discover a stable configuration. We train MACS across various compositions of reported crystalline materials to obtain a policy that successfully optimizes structures from the training compositions as well as structures of larger sizes and unseen compositions, confirming its excellent scalability and zero-shot transferability. We benchmark our approach against a broad range of state-of-theart optimization methods and demonstrate that MACS optimizes periodic crystal structures significantly faster, with fewer energy calculations, and the lowest failure rate. Code is available at https://github.com/lrcfmd/macs.

Multimodal learning holds promise for richer information extraction by capturing dependencies across data sources. Yet, current training methods often underperform due to modality competition, a phenomenon where modalities contend for training resources leaving some underoptimized. This raises a pivotal question: how can we address training imbalances, ensure adequate optimization across all modalities, and achieve consistent performance improvements as we transition from unimodal to multimodal data? This paper proposes the Multimodal Competition Regularizer (MCR), inspired by a mutual information (MI) decomposition designed to prevent the adverse effects of competition in multimodal training. Our key contributions are: 1) A game-theoretic framework that adaptively balances modality contributions by encouraging each to maximize its informative role in the final prediction 2) Refining lower and upper bounds for each MI term to enhance the extraction of both taskrelevant unique and shared information across modalities.

Speculative decoding (SD) has emerged as a powerful method for accelerating autoregressive generation in large language models (LLMs), yet its integration into vision-language models (VLMs) remains underexplored. We introduce DREAM, a novel speculative decoding framework tailored for VLMs that combines three key innovations: (1) a cross-attention-based mechanism to inject intermediate features from the target model into the draft model for improved alignment, (2) adaptive intermediate feature selection based on attention entropy to guide efficient draft model training, and (3) visual token compression to reduce draft model latency. DREAM enables efficient, accurate, and parallel multimodal decoding with significant throughput improvement. Experiments across a diverse set of recent popular VLMs, including LLaVA, Pixtral, SmolVLM and Gemma3, demonstrate up to 3.6 speedup over conventional decoding and significantly outperform prior SD baselines in both inference throughput and speculative draft acceptance length across a broad range of multimodal benchmarks.

Large Language Models (LLMs) have attained human-level fluency in text generation, which complicates the distinguishing between human-written and LLMgenerated texts. This increases the risk of misuse and highlights the need for reliable detectors. Yet, existing detectors exhibit poor robustness on out-of-distribution (OOD) data and attacked data, which is critical for real-world scenarios. Also, they struggle to provide interpretable evidence to support their decisions, thus undermining the reliability. In light of these challenges, we propose IPAD (Inverse Prompt for AIDetection), a novel framework consisting of a Prompt Inverter that identifies predicted prompts that could have generated the input text, and two Distinguishers that examine the probability that the input texts align with the predicted prompts. Empirical evaluations demonstrate that IPAD outperforms the strongest baselines by 9.05% (Average Recall) on in-distribution data, 12.93% (AUROC) on out-of-distribution data, and 5.48% (AUROC) on attacked data. IPAD also performs robustly on structured datasets. Furthermore, an interpretability assessment is conducted to illustrate that IPAD enhances the AI detection trustworthiness by allowing users to directly examine the decision-making evidence, which provides interpretable support for its state-of-the-art detection results.

Discrete diffusion models have emerged as a powerful generative modeling framework for discrete data with successful applications spanning from text generation to image synthesis. However, their deployment faces challenges due to the high dimensionality of the state space, necessitating the development of efficient inference algorithms. Current inference approaches mainly fall into two categories: exact simulation and approximate methods such as τ-leaping. While exact methods suffer from unpredictable inference time and redundant function evaluations, τ-leaping is limited by its first-order accuracy. In this work, we advance the latter category by tailoring the first extension of high-order numerical inference schemes to discrete diffusion models, enabling larger step sizes while reducing error. We rigorously analyze the proposed schemes and establish the second-order accuracy of the θ-Trapezoidal method in KL divergence. Empirical evaluations on GSM8Klevel math-reasoning, GPT-2-level text, and ImageNet-level image generation tasks demonstrate that our method achieves superior sample quality compared to existing approaches under equivalent computational constraints, with consistent performance gains across models ranging from 200M to 8B.

Multimodal large language models (MLLMs) rely heavily on instruction tuning to align vision and language capabilities, yet the computational cost of training on large-scale datasets remains a major bottleneck. Existing data selection methods aim to mitigate this by selecting important and diverse subsets, but they often suffer from two critical drawbacks: high computational overhead from processing the entire dataset and suboptimal data selection due to separate treatment of importance and diversity. We introduce COIDO, a novel dual-objective framework that jointly optimizes data importance and diversity to overcome these challenges. Unlike existing approaches that require costly evaluations across the whole dataset, COIDO employs a lightweight plug-in scorer. This scorer is trained on just a small random subset of data to learn the distribution of the candidate set, drastically reducing computational demands.

Competive programming benchmarks are widely used in scenarios such as programming contests and large language model assessments. However, the growing presence of duplicate or highly similar problems raises concerns not only about competition fairness, but also about the validity of competitive programming as a benchmark for model evaluation. In this paper, we propose a new problem--similar question retrieval--to tackle the problem. Due to the lack of both data and models, solving this problem is challenging. To this end, we introduce CPRet, a retrievaloriented benchmark suite for competitive programming, covering four retrieval tasks: two code-centric (i.e., Text-to-Code, Code-to-Code) and two newly proposed problem-centric tasks (i.e., Problem-to-Duplicate, Simplified-to-Full)--built from a combination of automatically crawled problem-solution data and manually curated annotations. Our contribution includes both high-quality training data and temporally separated test sets for reliable evaluation. Besides, we further develop two task-specialized retrievers based on this dataset: CPRetriever-Code, trained with a novel Group-InfoNCE loss for problem-code alignment, and CPRetriever-Prob, fine-tuned for indentifying problem-level similarity. Both models achieve strong results and are open-sourced for local use. Finally, we analyze LiveCodeBench and find that high-similarity problems inflate model pass rates and reduce differentiation, underscoring the need for similarity-aware evaluation in future benchmarks.

Large Language Models (LLMs) have demonstrated notable capabilities across financial tasks, including financial report summarization, earnings call transcript analysis, and asset classification. However, their real-world effectiveness in managing complex fund investment remains inadequately assessed. A fundamental limitation of existing benchmarks for evaluating LLM-driven trading strategies is their reliance on historical back-testing, inadvertently enabling LLMs to "time travel" - leveraging future information embedded in their training corpora, thus resulting in possible information leakage and overly optimistic performance estimates. To address this issue, we introduce DeepFund, a live fund benchmark tool designed to rigorously evaluate LLM in real-time market conditions. Utilizing a multi-agent architecture, DeepFund connects directly with real-time stock market data - specifically data published after each model's pretraining cutoff - to ensure fair and leakage-free evaluations. Empirical tests on nine flagship LLMs from leading global institutions across multiple investment dimensions--including ticker-level analysis, investment decision-making, portfolio management, and risk control--reveal significant practical challenges.

Large Language Models (LLMs) have demonstrated outstanding performance in mathematical reasoning capabilities. However, we argue that current largescale reasoning models primarily rely on scaling up training datasets with diverse mathematical problems and long thinking chains, which raises questions about whether LLMs genuinely acquire mathematical concepts and reasoning principles or merely remember the training data. In contrast, humans tend to break down complex problems into multiple fundamental atomic capabilities. Inspired by this, we propose a new paradigm for evaluating mathematical atomic capabilities.

While Multimodal Large Language Models (MLLMs) have advanced GUI navigation agents, current approaches face limitations in cross-domain generalization and effective history utilization. We present a reasoning-enhanced framework that systematically integrates structured reasoning, action prediction, and history summarization. The structured reasoning component generates coherent Chain-ofThought analyses combining progress estimation and decision reasoning, which inform both immediate action predictions and compact history summaries for future steps. Based on this framework, we train a GUI agent, GUI-Rise, through supervised fine-tuning on pseudo-labeled trajectories and reinforcement learning with Group Relative Policy Optimization (GRPO). This framework employs specialized rewards, including a history-aware objective, directly linking summary quality to subsequent action performance. Comprehensive evaluations on standard benchmarks demonstrate state-of-the-art results under identical training data conditions, with particularly strong performance in out-of-domain scenarios. These findings validate our framework's ability to maintain robust reasoning and generalization across diverse GUI navigation tasks. Code is available at https://leon022.github.io/GUI-Rise.