ActivityDiff: A diffusion model with Positive and Negative Activity Guidance for De Novo Drug Design

Achieving precise control over a molecule's biological activity-encompassing targeted activation/inhibition, cooperative multi-target modulation, and off-target toxicity mitigation-remains a critical challenge in de novo drug design. However, existing generative methods primarily focus on producing molecules with a single desired activity, lacking integrated mechanisms for the simultaneous management of multiple intended and unintended molecular interactions. Here, we propose ActivityDiff, a generative approach based on the classifier-guidance technique of diffusion models. It leverages separately trained drug-target classifiers for both positive and negative guidance, enabling the model to enhance desired activities while minimizing harmful off-target effects. Experimental results show that ActivityDiff effectively handles essential drug design tasks, including single-/dual-target generation, fragment-constrained dual-target design, selective generation to enhance target specificity, and reduction of off-target effects. These results demonstrate the effectiveness of classifier-guided diffusion in balancing efficacy and safety in molecular design. Overall, our work introduces a novel paradigm for achieving integrated control over molecular activity, and provides ActivityDiff as a versatile and extensible framework.

Improving LLMs' Generalized Reasoning Abilities by Graph Problems

Large Language Models (LLMs) have made remarkable strides in reasoning tasks, yet their performance often falters on novel and complex problems. Domain-specific continued pretraining (CPT) methods, such as those tailored for mathematical reasoning, have shown promise but lack transferability to broader reasoning tasks. In this work, we pioneer the use of Graph Problem Reasoning (GPR) to enhance the general reasoning capabilities of LLMs. GPR tasks, spanning pathfinding, network analysis, numerical computation, and topological reasoning, require sophisticated logical and relational reasoning, making them ideal for teaching diverse reasoning patterns. To achieve this, we introduce GraphPile, the first large-scale corpus specifically designed for CPT using GPR data. Spanning 10.9 billion tokens across 23 graph tasks, the dataset includes chain-of-thought, program-of-thought, trace of execution, and real-world graph data. Using GraphPile, we train GraphMind on popular base models Llama 3 and 3.1, as well as Gemma 2, achieving up to 4.9 percent higher accuracy in mathematical reasoning and up to 21.2 percent improvement in non-mathematical reasoning tasks such as logical and commonsense reasoning. By being the first to harness GPR for enhancing reasoning patterns and introducing the first dataset of its kind, our work bridges the gap between domain-specific pretraining and universal reasoning capabilities, advancing the adaptability and robustness of LLMs.

Self-Guided Process Reward Optimization with Redefined Step-wise Advantage for Process Reinforcement Learning

Process Reinforcement Learning~(PRL) has demonstrated considerable potential in enhancing the reasoning capabilities of Large Language Models~(LLMs). However, introducing additional process reward models incurs substantial computational overhead, and there is no unified theoretical framework for process-level advantage estimation. To bridge this gap, we propose \textbf{S}elf-Guided \textbf{P}rocess \textbf{R}eward \textbf{O}ptimization~(\textbf{SPRO}), a novel framework that enables process-aware RL through two key innovations: (1) we first theoretically demonstrate that process rewards can be derived intrinsically from the policy model itself, and (2) we introduce well-defined cumulative process rewards and \textbf{M}asked \textbf{S}tep \textbf{A}dvantage (\textbf{MSA}), which facilitates rigorous step-wise action advantage estimation within shared-prompt sampling groups. Our experimental results demonstrate that SPRO outperforms vaniila GRPO with 3.4x higher training efficiency and a 17.5\% test accuracy improvement. Furthermore, SPRO maintains a stable and elevated policy entropy throughout training while reducing the average response length by approximately $1/3$, evidencing sufficient exploration and prevention of reward hacking. Notably, SPRO incurs no additional computational overhead compared to outcome-supervised RL methods such as GRPO, which benefit industrial implementation.

Noise Consistency Training: A Native Approach for One-Step Generator in Learning Additional Controls

The pursuit of efficient and controllable high-quality content generation remains a central challenge in artificial intelligence-generated content (AIGC). While one-step generators, enabled by diffusion distillation techniques, offer excellent generation quality and computational efficiency, adapting them to new control conditions--such as structural constraints, semantic guidelines, or external inputs--poses a significant challenge. Conventional approaches often necessitate computationally expensive modifications to the base model and subsequent diffusion distillation. This paper introduces Noise Consistency Training (NCT), a novel and lightweight approach to directly integrate new control signals into pre-trained one-step generators without requiring access to original training images or retraining the base diffusion model. NCT operates by introducing an adapter module and employs a noise consistency loss in the noise space of the generator. This loss aligns the adapted model's generation behavior across noises that are conditionally dependent to varying degrees, implicitly guiding it to adhere to the new control. Theoretically, this training objective can be understood as minimizing the distributional distance between the adapted generator and the conditional distribution induced by the new conditions. NCT is modular, data-efficient, and easily deployable, relying only on the pre-trained one-step generator and a control signal model. Extensive experiments demonstrate that NCT achieves state-of-the-art controllable generation in a single forward pass, surpassing existing multi-step and distillation-based methods in both generation quality and computational efficiency. Code is available at https://github.com/Luo-Yihong/NCT

Understanding GUI Agent Localization Biases through Logit Sharpness

Multimodal large language models (MLLMs) have enabled GUI agents to interact with operating systems by grounding language into spatial actions. Despite their promising performance, these models frequently exhibit hallucinations-systematic localization errors that compromise reliability. We propose a fine-grained evaluation framework that categorizes model predictions into four distinct types, revealing nuanced failure modes beyond traditional accuracy metrics. To better quantify model uncertainty, we introduce the Peak Sharpness Score (PSS), a metric that evaluates the alignment between semantic continuity and logits distribution in coordinate prediction. Building on this insight, we further propose Context-Aware Cropping, a training-free technique that improves model performance by adaptively refining input context. Extensive experiments demonstrate that our framework and methods provide actionable insights and enhance the interpretability and robustness of GUI agent behavior.

TreeRPO: Tree Relative Policy Optimization

Large Language Models (LLMs) have shown remarkable reasoning capabilities through Reinforcement Learning with Verifiable Rewards (RLVR) methods. However, a key limitation of existing approaches is that rewards defined at the full trajectory level provide insufficient guidance for optimizing the intermediate steps of a reasoning process. To address this, we introduce \textbf{\name}, a novel method that estimates the mathematical expectations of rewards at various reasoning steps using tree sampling. Unlike prior methods that rely on a separate step reward model, \name directly estimates these rewards through this sampling process. Building on the group-relative reward training mechanism of GRPO, \name innovatively computes rewards based on step-level groups generated during tree sampling. This advancement allows \name to produce fine-grained and dense reward signals, significantly enhancing the learning process and overall performance of LLMs. Experimental results demonstrate that our \name algorithm substantially improves the average Pass@1 accuracy of Qwen-2.5-Math on test benchmarks, increasing it from 19.0\% to 35.5\%. Furthermore, \name significantly outperforms GRPO by 2.9\% in performance while simultaneously reducing the average response length by 18.1\%, showcasing its effectiveness and efficiency. Our code will be available at \href{https://github.com/yangzhch6/TreeRPO}{https://github.com/yangzhch6/TreeRPO}.

UniVG-R1: Reasoning Guided Universal Visual Grounding with Reinforcement Learning

Traditional visual grounding methods primarily focus on single-image scenarios with simple textual references. However, extending these methods to real-world scenarios that involve implicit and complex instructions, particularly in conjunction with multiple images, poses significant challenges, which is mainly due to the lack of advanced reasoning ability across diverse multi-modal contexts. In this work, we aim to address the more practical universal grounding task, and propose UniVG-R1, a reasoning guided multimodal large language model (MLLM) for universal visual grounding, which enhances reasoning capabilities through reinforcement learning (RL) combined with cold-start data. Specifically, we first construct a high-quality Chain-of-Thought (CoT) grounding dataset, annotated with detailed reasoning chains, to guide the model towards correct reasoning paths via supervised fine-tuning. Subsequently, we perform rule-based reinforcement learning to encourage the model to identify correct reasoning chains, thereby incentivizing its reasoning capabilities. In addition, we identify a difficulty bias arising from the prevalence of easy samples as RL training progresses, and we propose a difficulty-aware weight adjustment strategy to further strengthen the performance. Experimental results demonstrate the effectiveness of UniVG-R1, which achieves state-of-the-art performance on MIG-Bench with a 9.1% improvement over the previous method. Furthermore, our model exhibits strong generalizability, achieving an average improvement of 23.4% in zero-shot performance across four image and video reasoning grounding benchmarks. The project page can be accessed at https://amap-ml.github.io/UniVG-R1-page/.

DialogueAgents: A Hybrid Agent-Based Speech Synthesis Framework for Multi-Party Dialogue

Speech synthesis is crucial for human-computer interaction, enabling natural and intuitive communication. However, existing datasets involve high construction costs due to manual annotation and suffer from limited character diversity, contextual scenarios, and emotional expressiveness. To address these issues, we propose DialogueAgents, a novel hybrid agent-based speech synthesis framework, which integrates three specialized agents -- a script writer, a speech synthesizer, and a dialogue critic -- to collaboratively generate dialogues. Grounded in a diverse character pool, the framework iteratively refines dialogue scripts and synthesizes speech based on speech review, boosting emotional expressiveness and paralinguistic features of the synthesized dialogues. Using DialogueAgent, we contribute MultiTalk, a bilingual, multi-party, multi-turn speech dialogue dataset covering diverse topics. Extensive experiments demonstrate the effectiveness of our framework and the high quality of the MultiTalk dataset. We release the dataset and code https://github.com/uirlx/DialogueAgents to facilitate future research on advanced speech synthesis models and customized data generation.

FingER: Content Aware Fine-grained Evaluation with Reasoning for AI-Generated Videos

Recent advances in video generation have posed great challenges in the assessment of AI-generated content, particularly with the emergence of increasingly sophisticated models. The various inconsistencies and defects observed in such videos are inherently complex, making overall scoring notoriously difficult. In this paper, we emphasize the critical importance of integrating fine-grained reasoning into video evaluation, and we propose $\textbf{F}$ing$\textbf{ER}$, a novel entity-level reasoning evaluation framework that first automatically generates $\textbf{F}$ine-grained $\textbf{E}$ntity-level questions, and then answers those questions by a $\textbf{R}$easoning model with scores, which can be subsequently weighted summed to an overall score for different applications. Specifically, we leverage LLMs to derive entity-level questions across five distinct perspectives, which (i) often focus on some specific entities of the content, thereby making answering or scoring much easier by MLLMs, and (ii) are more interpretable. Then we construct a FingER dataset, consisting of approximately 3.3k videos and corresponding 60k fine-grained QA annotations, each with detailed reasons. Based on that, we further investigate various training protocols to best incentivize the reasoning capability of MLLMs for correct answer prediction. Extensive experiments demonstrate that a reasoning model trained using Group Relative Policy Optimization (GRPO) with a cold-start strategy achieves the best performance. Notably, our model surpasses existing methods by a relative margin of $11.8\%$ on GenAI-Bench and $5.5\%$ on MonetBench with only 3.3k training videos, which is at most one-tenth of the training samples utilized by other methods. Our code and dataset will be released soon.

Rewards Are Enough for Fast Photo-Realistic Text-to-image Generation

Aligning generated images to complicated text prompts and human preferences is a central challenge in Artificial Intelligence-Generated Content (AIGC). With reward-enhanced diffusion distillation emerging as a promising approach that boosts controllability and fidelity of text-to-image models, we identify a fundamental paradigm shift: as conditions become more specific and reward signals stronger, the rewards themselves become the dominant force in generation. In contrast, the diffusion losses serve as an overly expensive form of regularization. To thoroughly validate our hypothesis, we introduce R0, a novel conditional generation approach via regularized reward maximization. Instead of relying on tricky diffusion distillation losses, R0 proposes a new perspective that treats image generations as an optimization problem in data space which aims to search for valid images that have high compositional rewards. By innovative designs of the generator parameterization and proper regularization techniques, we train state-of-the-art few-step text-to-image generative models with R0 at scales. Our results challenge the conventional wisdom of diffusion post-training and conditional generation by demonstrating that rewards play a dominant role in scenarios with complex conditions. We hope our findings can contribute to further research into human-centric and reward-centric generation paradigms across the broader field of AIGC. Code is available at https://github.com/Luo-Yihong/R0.