Mengdi Wang

Caoliwen Wang, Minghao Guo, Siyuan Chen et al.

A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to model cloth, elastic solds, Newtonian and non-Newtonian fluids, granular materials, and molecular dynamics. Our model follows a prediction-correction design on a shared Lagrangian particle representation. An explicit predictor first advances particles under the known external forces, producing an intermediate state that captures externally driven motion but not inter-particle interactions. A learned corrector then predicts the residual position and velocity updates through three stages: a particle tokenizer that encodes local particle-particle, particle-boundary, and topology-guided interactions; a super-token encoder that hierarchically merges particle tokens into a compact set of super tokens via alternating self-attention and token merging; and a super-token decoder that lifts these super tokens back to particle resolution through cross-attention to predict per-particle position and velocity corrections. Progressive token merging reduces the attention cost at successive encoder layers by halving the token count at each level, and the decoder communicates through the compact super-token set rather than full particle-to-particle attention. Across the six dynamics categories, the same architecture generalizes to unseen materials, boundary configurations, initial conditions, and external forces. We further demonstrate downstream interactive control, inverse design, and learning from real-world manipulation data, reducing the need for per-phenomenon solver engineering.

Ling Yang, Zhaochen Yu, Bin Cui et al.

We present that hierarchical LLM reasoning via scaling thought templates can effectively optimize the reasoning search space and outperform the mathematical reasoning capabilities of powerful LLMs like OpenAI o1-preview and DeepSeek V3. We train our ReasonFlux-32B model with only 8 GPUs and introduces three innovations: (i) a structured and generic thought template library, containing around 500 high-level thought templates capable of generalizing to similar or relevant reasoning problems; (ii) performing hierarchical reinforcement learning on a sequence of thought templates instead of long CoTs, optimizing a base LLM to plan out an optimal template trajectory for gradually handling complex problems; (iii) a brand new inference scaling system that enables hierarchical LLM reasoning by adaptively scaling thought templates at inference time. With a template trajectory containing more explainable reasoning structures than DeepSeek-R1 and o3-mini, our ReasonFlux-32B significantly advances math reasoning capabilities to state-of-the-art levels. Notably, on the MATH benchmark, it achieves an accuracy of 91.2% and surpasses o1-preview by 6.7%. On the USA Math Olympiad (AIME) benchmark, ReasonFlux-32B solves an average of 56.7% of problems, surpassing o1-preview and DeepSeek-V3 by 27% and 45%, respectively. Code: https://github.com/Gen-Verse/ReasonFlux

Yinjie Wang, Ling Yang, Ye Tian et al.

We propose CURE, a novel reinforcement learning framework with a dedicated reward design that co-evolves coding and unit test generation capabilities based on their interaction outcomes, without any ground-truth code as supervision. This approach enables flexible and scalable training and allows the unit tester to learn directly from the coder's mistakes. Our derived ReasonFlux-Coder-7B and 14B models improve code generation accuracy by 5.3% and Best-of-N accuracy by 9.0% after optimization on Qwen2.5-Instruct models, outperforming similarly sized Qwen-Coder, DeepSeek-Coder, and Seed-Coder. They naturally extend to downstream tasks such as test-time scaling and agentic coding-achieving a 8.1% improvement over the base model. For the long-CoT model, our ReasonFlux-Coder-4B consistently outperforms Qwen3-4B while achieving 64.8% inference efficiency in unit test generation. Notably, we also find that our model can serve as an effective reward model for reinforcement learning on base models. Project: https://github.com/Gen-Verse/CURE

Jiacheng Guo, Suozhi Huang, Zixin Yao et al.

This paper introduces CryptoBench, the first expert-curated, dynamic benchmark designed to rigorously evaluate the real-world capabilities of Large Language Model (LLM) agents in the uniquely demanding and fast-paced cryptocurrency domain. Unlike general-purpose agent benchmarks for search and prediction, professional crypto analysis presents specific challenges: \emph{extreme time-sensitivity}, \emph{a highly adversarial information environment}, and the critical need to synthesize data from \emph{diverse, specialized sources}, such as on-chain intelligence platforms and real-time Decentralized Finance (DeFi) dashboards. CryptoBench thus serves as a much more challenging and valuable scenario for LLM agent assessment. To address these challenges, we constructed a live, dynamic benchmark featuring 50 questions per month, expertly designed by crypto-native professionals to mirror actual analyst workflows. These tasks are rigorously categorized within a four-quadrant system: Simple Retrieval, Complex Retrieval, Simple Prediction, and Complex Prediction. This granular categorization enables a precise assessment of an LLM agent's foundational data-gathering capabilities alongside its advanced analytical and forecasting skills. Our evaluation of ten LLMs, both directly and within an agentic framework, reveals a performance hierarchy and uncovers a failure mode. We observe a \textit{retrieval-prediction imbalance}, where many leading models, despite being proficient at data retrieval, demonstrate a pronounced weakness in tasks requiring predictive analysis. This highlights a problematic tendency for agents to appear factually grounded while lacking the deeper analytical capabilities to synthesize information.

Yinjie Wang, Ling Yang, Bowen Li et al.

We propose TraceRL, a trajectory-aware reinforcement learning framework for diffusion language models (DLMs) that incorporates preferred inference trajectory into post-training, and is applicable across different architectures. Equipped with a diffusion-based value model that enhances training stability, we demonstrate improved reasoning performance on complex math and coding tasks. Besides, it can also be applied to adapt block-specific models to larger blocks, which improves sampling flexibility. Employing TraceRL, we derive a series of state-of-the-art diffusion language models, namely TraDo. Although smaller than 7B-scale AR models, TraDo-4B-Instruct still consistently outperforms them across complex math reasoning tasks. TraDo-8B-Instruct achieves relative accuracy improvements of 6.1% over Qwen2.5-7B-Instruct and 51.3% over Llama3.1-8B-Instruct on mathematical reasoning benchmarks. Through curriculum learning, we also derive the first long-CoT DLM, outperforming Qwen2.5-7B-Instruct on MATH500 with an 18.1% relative accuracy gain. To facilitate reproducible research and practical applications, we release a comprehensive open-source framework for building, training, and deploying diffusion LLMs across diverse architectures. The framework integrates accelerated KV-cache techniques and inference engines for both inference and reinforcement learning, and includes implementations of various supervised fine-tuning and RL methods for mathematics, coding, and general tasks. Code and Models: https://github.com/Gen-Verse/dLLM-RL

Souradip Chakraborty, Sujay Bhatt, Udari Madhushani Sehwag et al.

Alignment of Large Language models (LLMs) is crucial for safe and trustworthy deployment in applications. Reinforcement learning from human feedback (RLHF) has emerged as an effective technique to align LLMs to human preferences and broader utilities, but it requires updating billions of model parameters, which is computationally expensive. Controlled Decoding, by contrast, provides a mechanism for aligning a model at inference time without retraining. However, single-agent decoding approaches often struggle to adapt to diverse tasks due to the complexity and variability inherent in these tasks. To strengthen the test-time performance w.r.t the target task, we propose a mixture of agent-based decoding strategies leveraging the existing off-the-shelf aligned LLM policies. Treating each prior policy as an agent in the spirit of mixture of agent collaboration, we develop a decoding method that allows for inference-time alignment through a token-level selection strategy among multiple agents. For each token, the most suitable LLM is dynamically chosen from a pool of models based on a long-term utility metric. This policy-switching mechanism ensures optimal model selection at each step, enabling efficient collaboration and alignment among LLMs during decoding. Theoretical analysis of our proposed algorithm establishes optimal performance with respect to the target task represented via a target reward for the given off-the-shelf models. We conduct comprehensive empirical evaluations with open-source aligned models on diverse tasks and preferences, which demonstrates the merits of this approach over single-agent decoding baselines. Notably, Collab surpasses the current SoTA decoding strategy, achieving an improvement of up to 1.56x in average reward and 71.89% in GPT-4 based win-tie rate.

Yinjie Wang, Ling Yang, Guohao Li et al.

Recent research has leveraged large language model multi-agent systems for complex problem-solving while trying to reduce the manual effort required to build them, driving the development of automated agent workflow optimization methods. However, existing methods remain inflexible due to representational limitations, a lack of adaptability, and poor scalability when relying on discrete optimization techniques. We address these challenges with ScoreFlow, a simple yet high-performance framework that leverages efficient gradient-based optimization in a continuous space. ScoreFlow incorporates Score-DPO, a novel variant of the direct preference optimization method that accounts for quantitative feedback. Across six benchmarks spanning question answering, coding, and mathematical reasoning, ScoreFlow achieves an 8.2% improvement over existing baselines. Moreover, it empowers smaller models to outperform larger ones with lower inference costs. Project: https://github.com/Gen-Verse/ScoreFlow

Jigang Fan, Zhenghong Zhou, Ruofan Jin et al.

Proteins play crucial roles in almost all biological processes. The advancement of deep learning has greatly accelerated the development of protein foundation models, leading to significant successes in protein understanding and design. However, the lack of systematic red-teaming for these models has raised serious concerns about their potential misuse, such as generating proteins with biological safety risks. This paper introduces SafeProtein, the first red-teaming framework designed for protein foundation models to the best of our knowledge. SafeProtein combines multimodal prompt engineering and heuristic beam search to systematically design red-teaming methods and conduct tests on protein foundation models. We also curated SafeProtein-Bench, which includes a manually constructed red-teaming benchmark dataset and a comprehensive evaluation protocol. SafeProtein achieved continuous jailbreaks on state-of-the-art protein foundation models (up to 70% attack success rate for ESM3), revealing potential biological safety risks in current protein foundation models and providing insights for the development of robust security protection technologies for frontier models. The codes will be made publicly available at https://github.com/jigang-fan/SafeProtein.

Shaokun Zhang, Xiawu Zheng, Chenyi Yang et al.

Despite superior performance on various natural language processing tasks, pre-trained models such as BERT are challenged by deploying on resource-constraint devices. Most existing model compression approaches require re-compression or fine-tuning across diverse constraints to accommodate various hardware deployments. This practically limits the further application of model compression. Moreover, the ineffective training and searching process of existing elastic compression paradigms[4,27] prevents the direct migration to BERT compression. Motivated by the necessity of efficient inference across various constraints on BERT, we propose a novel approach, YOCO-BERT, to achieve compress once and deploy everywhere. Specifically, we first construct a huge search space with 10^13 architectures, which covers nearly all configurations in BERT model. Then, we propose a novel stochastic nature gradient optimization method to guide the generation of optimal candidate architecture which could keep a balanced trade-off between explorations and exploitation. When a certain resource constraint is given, a lightweight distribution optimization approach is utilized to obtain the optimal network for target deployment without fine-tuning. Compared with state-of-the-art algorithms, YOCO-BERT provides more compact models, yet achieving 2.1%-4.5% average accuracy improvement on the GLUE benchmark. Besides, YOCO-BERT is also more effective, e.g.,the training complexity is O(1)for N different devices. Code is availablehttps://github.com/MAC-AutoML/YOCO-BERT.

Soumya Suvra Ghosal, Souradip Chakraborty, Vaibhav Singh et al.

With the widespread deployment of Multimodal Large Language Models (MLLMs) for visual-reasoning tasks, improving their safety has become crucial. Recent research indicates that despite training-time safety alignment, these models remain vulnerable to jailbreak attacks. In this work, we first highlight an important safety gap to describe that alignment achieved solely through safety training may be insufficient against jailbreak attacks. To address this vulnerability, we propose Immune, an inference-time defense framework that leverages a safe reward model through controlled decoding to defend against jailbreak attacks. Additionally, we provide a mathematical characterization of Immune, offering insights on why it improves safety against jailbreaks. Extensive evaluations on diverse jailbreak benchmarks using recent MLLMs reveal that Immune effectively enhances model safety while preserving the model's original capabilities. For instance, against text-based jailbreak attacks on LLaVA-1.6, Immune reduces the attack success rate by 57.82% and 16.78% compared to the base MLLM and state-of-the-art defense strategy, respectively.

Xun Jiang, Feng Li, Han Zhao et al.

Large language models (LLMs) like GPTs, trained on vast datasets, have demonstrated impressive capabilities in language understanding, reasoning, and planning, achieving human-level performance in various tasks. Most studies focus on enhancing these models by training on ever-larger datasets to build more powerful foundation models. While training stronger models is important, enabling models to evolve during inference is equally crucial, a process we refer to as AI self-evolution. Unlike large-scale training, self-evolution may rely on limited data or interactions. Inspired by the columnar organization of the human cerebral cortex, we hypothesize that AI models could develop cognitive abilities and build internal representations through iterative interactions with their environment. To achieve this, models need long-term memory (LTM) to store and manage processed interaction data. LTM supports self-evolution by representing diverse experiences across environments and agents. In this report, we explore AI self-evolution and its potential to enhance models during inference. We examine LTM's role in lifelong learning, allowing models to evolve based on accumulated interactions. We outline the structure of LTM and the systems needed for effective data retention and representation. We also classify approaches for building personalized models with LTM data and show how these models achieve self-evolution through interaction. Using LTM, our multi-agent framework OMNE achieved first place on the GAIA benchmark, demonstrating LTM's potential for AI self-evolution. Finally, we present a roadmap for future research, emphasizing the importance of LTM for advancing AI technology and its practical applications.

Jonathan Light, Wei Cheng, Benjamin Riviere et al.

Inference scaling methods for LLMs often rely on decomposing problems into steps (or groups of tokens), followed by sampling and selecting the best next steps. However, these steps and their sizes are often predetermined or manually designed based on domain knowledge. We propose dynamic decomposition, a method that adaptively and automatically partitions solution and reasoning traces into manageable steps during inference. By more effectively allocating compute -- particularly through subdividing challenging steps and prioritizing their sampling -- dynamic decomposition significantly improves inference efficiency. Experiments on benchmarks such as APPS, MATH, and LiveCodeBench demonstrate that dynamic decomposition outperforms static approaches, including token-level, sentence-level, and single-step decompositions, reducing the pass@10 error rate by 5.0%, 6.7%, and 10.5% respectively. These findings highlight the potential of dynamic decomposition to improve a wide range of inference scaling techniques.

Jiacheng Guo, Zihao Li, Jiahao Qiu et al.

Direct Preference Optimization (DPO) has emerged as an important approach for learning from human preferences in aligning large language models (LLMs). However, collecting human preference data is costly and inefficient, motivating methods to reduce the required annotations. In this work, we investigate the impact of \emph{preference variance} (PVar), which measures the variance in model preferences when comparing pairs of responses, on the effectiveness of DPO training. We provide a theoretical insight by establishing an upper bound on the DPO gradient norm for any given prompt, showing it is controlled by the PVar of that prompt. This implies that prompts with low PVar can only produce small gradient updates, making them less valuable for learning. We validate this finding by fine-tuning LLMs with preferences generated by a reward model, evaluating on two benchmarks (AlpacaEval 2.0 and Arena-Hard). Experimental results demonstrate that prompts with higher PVar outperform randomly selected prompts or those with lower PVar. We also show that our PVar-based selection method is robust, when using smaller reward models (1B, 3B) for selection. Notably, in a separate experiment using the original human annotations from the UltraFeedback dataset, we found that training on only the top 10\% of prompts with the highest PVar yields better evaluation performance than training on the full dataset, highlighting the importance of preference variance in identifying informative examples for efficient LLM alignment.