ACL 2025 Papers

Large language models (LLMs) rely heavily on sampling methods to generate diverse and high-quality text.While existing sampling methods like top-p and min-p have identified the detrimental effects of low-probability tails in LLMs’ outputs, they still fail to effectively distinguish between diversity and noise. This limitation stems from their reliance on probability-based metrics that are inherently sensitive to temperature scaling. Through empirical and theoretical analysis, we make two key discoveries: (1) the pre-softmax logits exhibit a clear statistical separation between informative tokens and noise, and (2) we prove the mathematical equivalence of min-p and top-(1-p) under uniform distribution over logits. These findings motivate the design of top-n𝜎, a novel sampling method that identifies informative tokens by eliminating noise directly in logit space.Unlike existing methods that become unstable at high temperatures, top-n𝜎 achieves temperature-invariant token selection while preserving output diversity. Extensive experiments across reasoning and creative writing tasks demonstrate that our method consistently outperforms existing approaches, with particularly significant improvements in high-temperature settings.

While integrating external tools into large language models (LLMs) enhances their ability to access real-time information and domain-specific services, existing approaches focus narrowly on functional tool selection following user instructions while overlooking the critical role of context-aware personalization in tool selection. This oversight leads to suboptimal user satisfaction and inefficient tool utilization, particularly when overlapping toolsets require nuanced selection based on contextual factors. To bridge this gap, we introduce ToolSpectrum, a benchmark designed to evaluate LLMs’ capabilities in personalized tool utilization. Specifically, we formalize two key dimensions of personalization, user profile and environmental factors, and analyze their individual and synergistic impacts on tool selection. Through extensive experiments on ToolSpectrum, we demonstrate that personalized tool selection significantly improves user experience across diverse scenarios. However, even state-of-the-art LLMs exhibit the limited ability to reason jointly about user profiles and environmental factors, often prioritizing one dimension at the expense of the other. Our findings underscore the necessity of context-aware personalization in tool-augmented LLMs and reveal critical limitations for current models. Our data and code will be released soon.

Effective evaluation of multi-hop tool use is critical for analyzing the understanding, reasoning, and function-calling capabilities of large language models (LLMs). However, progress has been hindered by a lack of reliable evaluation datasets. To address this, we present ToolHop, a dataset comprising 995 user queries and 3,912 associated tools, specifically designed for rigorous evaluation of multi-hop tool use. ToolHop ensures diverse queries, meaningful interdependencies, locally executable tools, detailed feedback, and verifiable answers through a novel query-driven data construction approach that includes tool creation, document refinement, and code generation. We evaluate 14 LLMs across five model families (i.e., LLaMA3.1, Qwen2.5, Gemini1.5, Claude3.5, and GPT), uncovering significant challenges in handling multi-hop tool-use scenarios. The leading model, GPT-4o, achieves an accuracy of 49.04%, underscoring substantial room for improvement. Further analysis reveals variations in tool-use strategies for various families, offering actionable insights to guide the development of more effective approaches. Code and data can be found in https://huggingface.co/datasets/bytedance-research/ToolHop.

Tool learning enhances Large Language Models’ (LLMs) dynamic interaction with external tools, improving their ability to solve complex problems. However, current empirical methods, which primarily focus on isolated tools learning, still struggle with accurate multi-tool selection due to issues like confusing similar tools and neglecting dependencies. To address these challenges, we propose the Tool Experience Network (ToolExpNet), which integrates tools and trial-and-error experiences into a network characterized by semantic similarity and dependency relationships. ToolExpNet iteratively conducts simulated experiments using adaptive sampling to explore subtle differences and connections between tools, and summarizes these experiences to provide insightful guidance for LLM tool selection. Our experiments demonstrate that learning the relationships between tools helps achieve more comprehensive tool learning. Evaluations on multiple real-world API datasets show that ToolExpNet effectively addresses common challenges in multi-tool selection, significantly outperforming existing baselines across different foundation LLMs.

Tool learning has emerged as a crucial capability for large language models (LLMs) to solve complex real-world tasks through interaction with external tools. Existing approaches face significant challenges, including reliance on hand-crafted prompts, difficulty in multi-step planning, and lack of precise error diagnosis and reflection mechanisms. We propose ToolCoder, a novel framework that reformulates tool learning as a code generation task. Inspired by software engineering principles, ToolCoder transforms natural language queries into structured Python function scaffold and systematically breaks down tasks with descriptive comments, enabling LLMs to leverage coding paradigms for complex reasoning and planning. It then generates and executes function implementations to obtain final responses. Additionally, ToolCoder stores successfully executed functions in a repository to promote code reuse, while leveraging error traceback mechanisms for systematic debugging, optimizing both execution efficiency and robustness. Experiments demonstrate that ToolCoder achieves superior performance in task completion accuracy and execution reliability compared to existing approaches, establishing the effectiveness of code-centric approaches in tool learning.

In inference-time scaling, Chain-of-Thought (CoT) plays a crucial role in enabling large language models (LLMs) to exhibit reasoning capabilities. However, in many scenarios, high-quality CoT data is scarce or even unavailable. In such cases, STaR-like methods can help LLMs synthesize CoT based on user queries and response, but they inevitably suffer from the risk of compounding errors. In this work, we tackle an even more challenging scenario: tool learning in the absence of user queries. We design a data scaling method using back-translation, which establishes an inference cycle to synthesize both user queries and CoT data. To reudce the compounding error of inference time, we introduce two rule-based verifiers to assess the validity of the synthesized CoT data. In particular, the Cycle Verifier facilitates performance improvement by continuously accumulating new data over multiple iterations. Our approach achieves a 75.4% pass rate and a 79.6% win rate using small models (7B) in StableToolBench. Notably, these results are obtained exclusively from self-synthesized high-quality data, without relying on external supervision or expert trajectories for warm-up.

Large language models (LLMs) have become the backbone of modern natural language processing but pose privacy concerns about leaking sensitive training data. Membership inference attacks (MIAs), which aim to infer whether a sample is included in a model’s training dataset, can serve as a foundation for broader privacy threats. Existing defenses designed for traditional classification models do not account for the sequential nature of text data. As a result, they either require significant computational resources or fail to effectively mitigate privacy risks in LLMs. In this work, we propose DuoLearn, a lightweight yet effective empirical privacy defense for protecting training data of language models by leveraging token-specific characteristics. By analyzing token dynamics during training, we propose a token selection strategy that categorizes tokens into hard tokens for learning and memorized tokens for unlearning. Subsequently, our training-phase defense optimizes a novel dual-purpose token-level loss to achieve a Pareto-optimal balance between utility and privacy. Extensive experiments demonstrate that our approach not only provides strong protection against MIAs but also improves language modeling performance by around 10% across various LLM architectures and datasets compared to the baselines.

Variation in language is ubiquitous and often systematically linked to regional, social, and contextual factors. Tokenizers split texts into smaller units and might behave differently for less common linguistic forms. This might affect downstream LLM performance differently on two types of tasks: Tasks where the model should be robust to language variation (e.g., for semantic tasks like NLI, labels do not depend on whether a text uses British or American spelling) and tasks where the model should be sensitive to language variation (e.g., for form-based tasks like authorship verification, labels depend on whether a text uses British or American spelling). We pre-train BERT base models with the popular Byte-Pair Encoding algorithm to investigate how key tokenization design choices impact the performance of downstream models: the corpus used to train the tokenizer, the pre-tokenizer and the vocabulary size. We find that the best tokenizer varies on the two task types and that the pre-tokenizer has the biggest overall impact on performance. Further, we introduce a new approach to estimate tokenizer impact on downstream LLM performance, showing substantial improvement over metrics like Rényi efficiency. We encourage more work on language variation and its relation to tokenizers and thus LLM performance.

In this work, we prove the NP-completeness of two variants of tokenisation, defined here as the problem of compressing a dataset to at most 𝛿 symbols by either finding a vocabulary directly (_direct_ tokenisation), or selecting a sequence of merge operations (_bottom-up_ tokenisation).

Large language models (LLMs) demonstrate strong capabilities in in-context learning, but verifying the correctness of their generated responses remains a challenge. Prior work has explored attribution at the sentence level, but these methods fall short when users seek attribution for specific keywords within the response, such as numbers, years, or names. To address this limitation, we propose TokenShapley, a novel token-level attribution method that combines Shapley value-based data attribution with KNN-based retrieval techniques inspired by recent advances in KNN-augmented LLMs. By leveraging a precomputed datastore for contextual retrieval and computing Shapley values to quantify token importance, TokenShapley provides a fine-grained data attribution approach. Extensive evaluations on four benchmarks show that TokenShapley outperforms state-of-the-art baselines in token-level attribution, achieving a 11–23% improvement in accuracy.

Multi-style outline controllable generation is crucial for multiple applications, including document semantic structuring and retrieval-augmented generation.The great success of preference alignment approaches encourages their application in controllable generation tasks.However, these attempts encounter several limitations: (1) response pair requirements, (2) substantial computation costs, and (3) insufficient exploitation of fine-grained preference signals.To address these problems, we propose a token-level preference self-alignment optimization, named TKPO, for outline controllable generation. TKPO extends the Bradley-Terry model from pair-wise to list-wise comparison, which is further applied at the token level for fine-grained preference signal utilization. In comparison to the representative methods, e.g., DPO, TKPO does not require response pairs; instead, we propose a controllable attributes-driven method to construct reject samples for self-alignment. Additionally, TKPO optimizes only the base model, thereby avoiding additional memory usage and substantial computational costs.We curate two outline controllable generation datasets with regard to language style and level-of-detail.Extensive experiments demonstrate that TKPO outperforms DPO by up to 19.28% in performance while requiring only 56.25% in training time.We release the code and datasets resources at https://github.com/WHUIR/TKPO.

Reasoning is critical for large language models (LLMs) to excel in a wide range of tasks. While methods like Chain-of-Thought (CoT) reasoning and enhance LLM performance by decomposing problems into intermediate steps, they also incur significant overhead in token usage, leading to increased costs. We find that the reasoning process of current LLMs is unnecessarily lengthy and it can be compressed by including a reasonable token budget in the prompt, but the choice of token budget plays a crucial role in the actual compression effectiveness. We then propose a token-budget-aware LLM reasoning framework that dynamically adjusts the number of reasoning tokens based on the reasoning complexity of each problem. Experiments show that our method effectively reduces token costs in CoT reasoning with only a slight performance reduction, offering a practical solution to balance efficiency and accuracy in LLM reasoning. Code: https://github.com/GeniusHTX/TALE.

Multimodal large language models (MLLMs) have shown remarkable performance for cross-modal understanding and generation, yet still suffer from severe inference costs. Recently, abundant works have been proposed to solve this problem with token pruning, which identifies the redundant tokens in MLLMs and then prunes them to reduce the computation and KV storage costs, leading to significant acceleration without training. While these methods claim efficiency gains, critical questions about their fundamental design and evaluation remain unanswered: Why do many existing approaches underperform even compared to naive random token selection? Are attention-based scoring sufficient for reliably identifying redundant tokens? Is language information really helpful during token pruning? What makes a good trade-off between token importance and duplication? Are current evaluation protocols comprehensive and unbiased? The ignorance of previous research on these problems hinders the long-term development of token pruning. In this paper, we answer these questions one by one, providing insights into the design of future token pruning methods. Codes are available in the supplementary materials.

Extracting sentence embeddings from large language models (LLMs) is a promising direction, as LLMs have demonstrated stronger semantic understanding capabilities. Previous studies typically focus on prompt engineering to elicit sentence embeddings from LLMs by prompting the model to encode sentence information into the embedding of the last token.However, LLMs are mostly decoder-only models with causal attention and the earlier tokens in the sentence cannot attend to the latter tokens, resulting in biased encoding of sentence information and cascading effects on the final decoded token.To this end, we propose a novel Token Prepending (TP) technique that prepends each layer’s decoded sentence embedding to the beginning of the sentence in the next layer’s input, allowing earlier tokens to attend to the complete sentence information under the causal attention mechanism.The proposed TP technique is a plug-and-play and training-free technique, which means it can be seamlessly integrated with various prompt-based sentence embedding methods and autoregressive LLMs.Extensive experiments on various Semantic Textual Similarity (STS) tasks and downstream classification tasks demonstrate that our proposed TP technique can significantly improve the performance of existing prompt-based sentence embedding methods across different LLMs, while incurring negligible additional inference cost.

Tokenization serves as a foundational step for Large Language Models (LLMs) to process text. In new domains or languages, the inefficiency of the tokenizer will slow down the training and generation of LLM. The mismatch in vocabulary also hinders deep knowledge transfer between LLMs like token-level distillation. To mitigate this gap, we propose an efficient method named **TokAlign** to replace the vocabulary of LLM from the token co-occurrences view, and further transfer the token-level knowledge between models. It first aligns the source vocabulary to the target one by learning a one-to-one mapping matrix for token IDs. Model parameters, including embeddings, are rearranged and progressively fine-tuned for the new vocabulary. Our method significantly improves multilingual text compression rates and vocabulary initialization for LLMs, decreasing the perplexity from 3.4e2 of strong baseline methods to 1.2e2 after initialization. Experimental results on models across multiple parameter scales demonstrate the effectiveness and generalization of TokAlign, which costs as few as 5k steps to restore the performance of the vanilla model. After unifying vocabularies between LLMs, token-level distillation can remarkably boost (+4.4% than sentence-level distillation) the base model, costing only 235M tokens.

Recent advances in mathematical problem-solving with language models (LMs) integrate chain-of-thought (CoT) reasoning and code execution to harness their complementary strengths. However, existing hybrid frameworks exhibit a critical limitation: they depend on externally dictated instructions or rigid code-integration templates, lacking metacognitive awareness—the capacity to dynamically evaluate intrinsic capabilities and autonomously determine when and how to integrate tools. This rigidity motivates our study of autonomous code integration, enabling models to adapt tool-usage strategies as their reasoning abilities evolve during training.While reinforcement learning (RL) shows promise for boosting LLM reasoning at scale (e.g., DeepSeek-R1), we demonstrate its inefficiency in learning autonomous code integration due to inadequate exploration of the vast combinatorial space of CoT-code interleaving patterns. To address this challenge, we propose a novel Expectation-Maximization (EM) framework that synergizes structured exploration (E-step) with off-policy RL optimization (M-step), creating a self-reinforcing cycle between metacognitive tool-use decisions and evolving capabilities. Experiments reveal our method achieves superior results through improved exploration. Notably, our 7B model improves over 11% on MATH500 and 9.4% on AIME without o1-like CoT.

In this paper, we present TituLLMs, the first large pretrained Bangla LLMs, available in 1b and 3b parameter sizes. Due to computational constraints during both training and inference, we focused on smaller models. To train TituLLMs, we collected a pretraining dataset of approximately ∼ 37 billion tokens. We extended the Llama-3.2 tokenizer to incorporate language- and culture-specific knowledge, which also enables faster training and inference. There was a lack of benchmarking datasets to benchmark LLMs for Bangla. To address this gap, we developed five benchmarking datasets. We benchmarked various LLMs, including TituLLMs, and demonstrated that TituLLMs outperforms its initial multilingual versions. However, this is not always the case, highlighting the complexities of language adaptation. Our work lays the groundwork for adapting existing multilingual open models to other low-resource languages. To facilitate broader adoption and further research, we have made the TituLLMs models and benchmarking datasets publicly available.

Time series data are foundational in finance, healthcare, and energy domains. However, most existing methods and datasets remain focused on a narrow spectrum of tasks, such as forecasting or anomaly detection. To bridge this gap, we introduce Time Series Multi-Task Question Answering (Time-MQA), a unified framework that enables natural language queries across multiple time series tasks - numerical analytical tasks and open-ended question answering with reasoning. Central to Time-MQA is the TSQA dataset, a large-scale dataset containing ~200k question-answer pairs derived from diverse time series spanning environment, traffic, etc. This comprehensive resource covers various time series lengths and promotes robust model development. We further demonstrate how continually pre-training large language models (Mistral 7B, Llama-3 8B, and Qwen-2.5 7B) on the TSQA dataset enhanced time series reasoning capabilities, moving beyond mere numeric tasks and enabling more advanced and intuitive interactions with temporal data. The complete TSQA dataset, models, user study questionnaires for evaluation, and other related materials have been open-sourced here.

Understanding historical and cultural artifacts demands human expertise and advanced computational techniques, yet the process remains complex and time-intensive. While large multimodal models offer promising support, their evaluation and improvement require a standardized benchmark. To address this, we introduce TimeTravel, a benchmark of 10,250 expert-verified samples spanning 266 distinct cultures across 10 major historical regions. Designed for AI-driven analysis of manuscripts, artworks, inscriptions, and archaeological discoveries, TimeTravel provides a structured dataset and robust evaluation framework to assess AI models’ capabilities in classification, interpretation, and historical comprehension. By integrating AI with historical research, TimeTravel fosters AI-powered tools for historians, archaeologists, researchers, and cultural tourists to extract valuable insights while ensuring technology contributes meaningfully to historical discovery and cultural heritage preservation. We evaluate contemporary AI models on TimeTravel, highlighting their strengths and identifying areas for improvement. Our goal is to establish AI as a reliable partner in preserving cultural heritage, ensuring that technological advancements contribute meaningfully to historical discovery. We release the TimeTravel dataset and evaluation suite as open-source resources for culturally and historically informed research.