Efficient Reasoning for LLMs through Speculative Chain-of-Thought

Large reasoning language models such as OpenAI-o1 and Deepseek-R1 have recently attracted widespread attention due to their impressive task-solving abilities. However, the enormous model size and the generation of lengthy thought chains introduce significant reasoning costs and response latency. Existing methods for efficient reasoning mainly focus on reducing the number of model parameters or shortening the chain-of-thought length. In this paper, we introduce Speculative Chain-of-Thought (SCoT), which reduces reasoning latency from another perspective by accelerated average reasoning speed through large and small model collaboration. SCoT conducts thought-level drafting using a lightweight draft model. Then it selects the best CoT draft and corrects the error cases with the target model. The proposed thinking behavior alignment improves the efficiency of drafting and the draft selection strategy maintains the prediction accuracy for complex problems. Experimental results on GSM8K, MATH, GaoKao, CollegeMath and Olympiad datasets show that SCoT reduces reasoning latency by 48\%$\sim$66\% for Deepseek-R1-Distill-Qwen-32B while achieving near-target-model-level performance. Our code is available at https://github.com/Jikai0Wang/Speculative_CoT.

CipherBank: Exploring the Boundary of LLM Reasoning Capabilities through Cryptography Challenges

Large language models (LLMs) have demonstrated remarkable capabilities, especially the recent advancements in reasoning, such as o1 and o3, pushing the boundaries of AI. Despite these impressive achievements in mathematics and coding, the reasoning abilities of LLMs in domains requiring cryptographic expertise remain underexplored. In this paper, we introduce CipherBank, a comprehensive benchmark designed to evaluate the reasoning capabilities of LLMs in cryptographic decryption tasks. CipherBank comprises 2,358 meticulously crafted problems, covering 262 unique plaintexts across 5 domains and 14 subdomains, with a focus on privacy-sensitive and real-world scenarios that necessitate encryption. From a cryptographic perspective, CipherBank incorporates 3 major categories of encryption methods, spanning 9 distinct algorithms, ranging from classical ciphers to custom cryptographic techniques. We evaluate state-of-the-art LLMs on CipherBank, e.g., GPT-4o, DeepSeek-V3, and cutting-edge reasoning-focused models such as o1 and DeepSeek-R1. Our results reveal significant gaps in reasoning abilities not only between general-purpose chat LLMs and reasoning-focused LLMs but also in the performance of current reasoning-focused models when applied to classical cryptographic decryption tasks, highlighting the challenges these models face in understanding and manipulating encrypted data. Through detailed analysis and error investigations, we provide several key observations that shed light on the limitations and potential improvement areas for LLMs in cryptographic reasoning. These findings underscore the need for continuous advancements in LLM reasoning capabilities.

DONOD: Robust and Generalizable Instruction Fine-Tuning for LLMs via Model-Intrinsic Dataset Pruning

Ad-hoc instruction fine-tuning of large language models (LLMs) is widely adopted for domain-specific adaptation. While domain-specific supervised fine-tuning (SFT) is effective and efficient, it often weakens cross-domain generalization and struggles with noisy training data. To address these challenges, we propose DONOD, a lightweight model-intrinsic data pruning method. Our approach evaluates data using two model-parameter-based metrics: Delta of Norm (DON), which captures the cumulative influence on model weights, and Norm of Delta (NOD), which quantifies weight instability. Moreover, by employing the Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS) algorithm, we effectively filter noisy, unlearnable, and generalization-harming samples without relying on auxiliary models during the SFT process. Experiments on mathematical tasks demonstrate that data selected by DONOD achieve superior fine-tuning efficiency and improved robustness against noisy data. By filtering out 70% of the full dataset, we improve target-domain accuracy by 14.90% and cross-domain accuracy by 5.67%. Meanwhile, our selected data present superior cross-architecture generalization. Data pruned by smaller models (e.g., Llama 3.1-8B) generalize effectively on larger models (e.g., Llama 2-13B). Compared to existing related methodologies, DONOD demonstrates comparable or superior performance while remaining dataset-agnostic, enabling broader applicability.

InternVL3: Exploring Advanced Training and Test-Time Recipes for Open-Source Multimodal Models

We introduce InternVL3, a significant advancement in the InternVL series featuring a native multimodal pre-training paradigm. Rather than adapting a text-only large language model (LLM) into a multimodal large language model (MLLM) that supports visual inputs, InternVL3 jointly acquires multimodal and linguistic capabilities from both diverse multimodal data and pure-text corpora during a single pre-training stage. This unified training paradigm effectively addresses the complexities and alignment challenges commonly encountered in conventional post-hoc training pipelines for MLLMs. To further improve performance and scalability, InternVL3 incorporates variable visual position encoding (V2PE) to support extended multimodal contexts, employs advanced post-training techniques such as supervised fine-tuning (SFT) and mixed preference optimization (MPO), and adopts test-time scaling strategies alongside an optimized training infrastructure. Extensive empirical evaluations demonstrate that InternVL3 delivers superior performance across a wide range of multi-modal tasks. In particular, InternVL3-78B achieves a score of 72.2 on the MMMU benchmark, setting a new state-of-the-art among open-source MLLMs. Its capabilities remain highly competitive with leading proprietary models, including ChatGPT-4o, Claude 3.5 Sonnet, and Gemini 2.5 Pro, while also maintaining strong pure-language proficiency. In pursuit of open-science principles, we will publicly release both the training data and model weights to foster further research and development in next-generation MLLMs.

OpenHuEval: Evaluating Large Language Model on Hungarian Specifics

We introduce OpenHuEval, the first benchmark for LLMs focusing on the Hungarian language and specifics. OpenHuEval is constructed from a vast collection of Hungarian-specific materials sourced from multiple origins. In the construction, we incorporated the latest design principles for evaluating LLMs, such as using real user queries from the internet, emphasizing the assessment of LLMs' generative capabilities, and employing LLM-as-judge to enhance the multidimensionality and accuracy of evaluations. Ultimately, OpenHuEval encompasses eight Hungarian-specific dimensions, featuring five tasks and 3953 questions. Consequently, OpenHuEval provides the comprehensive, in-depth, and scientifically accurate assessment of LLM performance in the context of the Hungarian language and its specifics. We evaluated current mainstream LLMs, including both traditional LLMs and recently developed Large Reasoning Models. The results demonstrate the significant necessity for evaluation and model optimization tailored to the Hungarian language and specifics. We also established the framework for analyzing the thinking processes of LRMs with OpenHuEval, revealing intrinsic patterns and mechanisms of these models in non-English languages, with Hungarian serving as a representative example. We will release OpenHuEval at https://github.com/opendatalab/OpenHuEval .

MathFusion: Enhancing Mathematic Problem-solving of LLM through Instruction Fusion

Large Language Models (LLMs) have shown impressive progress in mathematical reasoning. While data augmentation is promising to enhance mathematical problem-solving ability, current approaches are predominantly limited to instance-level modifications-such as rephrasing or generating syntactic variations-which fail to capture and leverage the intrinsic relational structures inherent in mathematical knowledge. Inspired by human learning processes, where mathematical proficiency develops through systematic exposure to interconnected concepts, we introduce MathFusion, a novel framework that enhances mathematical reasoning through cross-problem instruction synthesis. MathFusion implements this through three fusion strategies: (1) sequential fusion, which chains related problems to model solution dependencies; (2) parallel fusion, which combines analogous problems to reinforce conceptual understanding; and (3) conditional fusion, which creates context-aware selective problems to enhance reasoning flexibility. By applying these strategies, we generate a new dataset, \textbf{MathFusionQA}, followed by fine-tuning models (DeepSeekMath-7B, Mistral-7B, Llama3-8B) on it. Experimental results demonstrate that MathFusion achieves substantial improvements in mathematical reasoning while maintaining high data efficiency, boosting performance by 18.0 points in accuracy across diverse benchmarks while requiring only 45K additional synthetic instructions, representing a substantial improvement over traditional single-instruction approaches. Our datasets, models, and code are publicly available at https://github.com/QizhiPei/mathfusion.

MetaLadder: Ascending Mathematical Solution Quality via Analogical-Problem Reasoning Transfer

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate CoT and answers directly for a given problem, diverging from human problem-solving strategies to some extent. Humans often solve problems by recalling analogous cases and leveraging their solutions to reason about the current task. Inspired by this cognitive process, we propose \textbf{MetaLadder}, a novel framework that explicitly prompts LLMs to recall and reflect on meta-problems, those structurally or semantically analogous problems, alongside their CoT solutions before addressing the target problem. Additionally, we introduce a problem-restating mechanism to enhance the model's comprehension of the target problem by regenerating the original question, which further improves reasoning accuracy. Therefore, the model can achieve reasoning transfer from analogical problems, mimicking human-like "learning from examples" and generalization abilities. Extensive experiments on mathematical benchmarks demonstrate that our MetaLadder significantly boosts LLMs' problem-solving accuracy, largely outperforming standard CoT-based methods (\textbf{10.3\%} accuracy gain) and other methods. Our code and data has been released at https://github.com/LHL3341/MetaLadder.

Fast and Accurate Blind Flexible Docking

Molecular docking that predicts the bound structures of small molecules (ligands) to their protein targets, plays a vital role in drug discovery. However, existing docking methods often face limitations: they either overlook crucial structural changes by assuming protein rigidity or suffer from low computational efficiency due to their reliance on generative models for structure sampling. To address these challenges, we propose FABFlex, a fast and accurate regression-based multi-task learning model designed for realistic blind flexible docking scenarios, where proteins exhibit flexibility and binding pocket sites are unknown (blind). Specifically, FABFlex's architecture comprises three specialized modules working in concert: (1) A pocket prediction module that identifies potential binding sites, addressing the challenges inherent in blind docking scenarios. (2) A ligand docking module that predicts the bound (holo) structures of ligands from their unbound (apo) states. (3) A pocket docking module that forecasts the holo structures of protein pockets from their apo conformations. Notably, FABFlex incorporates an iterative update mechanism that serves as a conduit between the ligand and pocket docking modules, enabling continuous structural refinements. This approach effectively integrates the three subtasks of blind flexible docking-pocket identification, ligand conformation prediction, and protein flexibility modeling-into a unified, coherent framework. Extensive experiments on public benchmark datasets demonstrate that FABFlex not only achieves superior effectiveness in predicting accurate binding modes but also exhibits a significant speed advantage (208 $\times$) compared to existing state-of-the-art methods. Our code is released at https://github.com/tmlr-group/FABFlex.

NatureLM: Deciphering the Language of Nature for Scientific Discovery

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, and RNA. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (briefly, NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) achieving state-of-the-art performance in tasks like SMILES-to-IUPAC translation and retrosynthesis on USPTO-50k. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

GRAIT: Gradient-Driven Refusal-Aware Instruction Tuning for Effective Hallucination Mitigation

Refusal-Aware Instruction Tuning (RAIT) aims to enhance Large Language Models (LLMs) by improving their ability to refuse responses to questions beyond their knowledge, thereby reducing hallucinations and improving reliability. Effective RAIT must address two key challenges: firstly, effectively reject unknown questions to minimize hallucinations; secondly, avoid over-refusal to ensure questions that can be correctly answered are not rejected, thereby maintain the helpfulness of LLM outputs. In this paper, we address the two challenges by deriving insightful observations from the gradient-based perspective, and proposing the Gradient-driven Refusal Aware Instruction Tuning Framework GRAIT: (1) employs gradient-driven sample selection to effectively minimize hallucinations and (2) introduces an adaptive weighting mechanism during fine-tuning to reduce the risk of over-refusal, achieving the balance between accurate refusals and maintaining useful responses. Experimental evaluations on open-ended and multiple-choice question answering tasks demonstrate that GRAIT significantly outperforms existing RAIT methods in the overall performance. The source code and data will be available at https://github.com/opendatalab/GRAIT .