Austria

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still struggle to reason using molecular structural information. This gap is critical because many molecular properties, including functional groups, depend heavily on such structural details. To address this limitation, we propose an approach that sketches molecular structures for reasoning. Specifically, we introduce Molecular Structural Reasoning (MSR) framework to enhance the understanding of LLMs by explicitly incorporating the key structural features. We present two frameworks for scenarios where the target molecule is known or unknown. We verify that our MSR improves molecular understanding through extensive experiments.

ACL 2025

Structural Reasoning Improves Molecular Understanding of LLM

chain-of-thoughts

llms

drug discovery

molecules

The Human Glycome Project (HGP) is led by a consortium of research groups that shares a common goal of aiming to define the structures and functions of human glycoconjugates.


The 3rd Meeting of the Human Glycome Project

poster

### Welcome to The 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025)

Message from the General Chair: 
*It is my great pleasure and honor to welcome you to the 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025), held in beautiful Vienna, Austria, from July 27 to August 1, 2025. ACL2025continues our field’s tradition of excellence in scholarship, innovation, and inclusivity, and I am deeply grateful to the many volunteers who have worked tirelessly to bring this event to life.* 
[Read more](https://drive.google.com/file/d/1GI_hvOpjswAuYdUTromfeDiPpCcqidwg/view?usp=sharing)

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Welcome to The 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025)

Conversational counselor agents have become essential tools for addressing the rising demand for scalable and accessible mental health support. This paper introduces CAMI, a novel automated counselor agent grounded in Motivational Interviewing (MI) -- a client-centered counseling approach designed to address ambivalence and facilitate behavior change. CAMI employs a novel STAR framework, consisting of client's state inference, motivation topic exploration, and response generation modules, leveraging large language models (LLMs). These components work together to evoke change talk, aligning with MI principles and improving counseling outcomes for diverse clients. We evaluate CAMI's performance through both automated and expert evaluations, utilizing simulated clients to assess MI skill competency, client's state inference accuracy, topic exploration proficiency, and overall counseling success. Results show that CAMI not only outperforms several state-of-the-art methods but also shows more realistic counselor-like behavior. Additionally, our ablation study underscores the critical roles of state inference and topic exploration in achieving this performance.

CAMI: A Counselor Agent Supporting Motivational Interviewing through State Inference and Topic Exploration

Large language models (LLMs) present novel opportunities in public opinion research by predicting survey responses in advance during the early stages of survey design. Prior methods steer LLMs via descriptions of subpopulations as LLMs' input prompt, yet such prompt engineering approaches have struggled to faithfully predict the distribution of survey responses from human subjects. In this work, we propose directly fine-tuning LLMs to predict response distributions by leveraging unique structural characteristics of survey data. To enable fine-tuning, we curate SubPOP, a significantly scaled dataset of 3,362 questions and 70K subpopulation-response pairs from well-established public opinion surveys. We show that fine-tuning on SubPOP greatly improves the match between LLM predictions and human responses across various subpopulations, reducing the LLM-human gap by up to 46% compared to baselines, and achieves strong generalization to unseen surveys and subpopulations. Our findings highlight the potential of survey-based fine-tuning to improve opinion prediction for diverse, real-world subpopulations and therefore enable more efficient survey designs.

Language Model Fine-Tuning on Scaled Survey Data for Predicting Distributions of Public Opinions

The rapid advancement of large language models (LLMs) increases the difficulty of distinguishing between human-written and LLM-generated text. Detecting LLM-generated text is crucial for upholding academic integrity, preventing plagiarism, protecting copyrights, and ensuring ethical research practices. Most prior studies on detecting LLM-generated text focus primarily on English text. However, languages with distinct morphological and syntactic characteristics require specialized detection approaches. Their unique structures and usage patterns hinder the direct application of methods primarily designed for English. Among such languages, we focus on Korean, 
which has relatively flexible spacing rules, a rich morphological system, and less frequent comma usage compared to English. We introduce KatFish, the first benchmark dataset for detecting LLM-generated Korean text. The dataset consists of text written by humans and generated by four LLMs across three genres. By examining spacing patterns, part-of-speech diversity, and comma usage, we illuminate the linguistic differences between human-written and LLM-generated Korean text. Building on these observations, we propose KatFishNet, a detection method specifically designed for the Korean language. KatFishNet achieves an average of 19.78% higher AUC-ROC compared to the best-performing existing detection method. Our code and data are available at https://github.com/Shinwoo-Park/katfishnet.

Detecting LLM-Generated Korean Text through Linguistic Feature Analysis

Direct Preference Optimization (DPO) has proven effective in complex reasoning tasks like math word problems and code generation. However, when applied to Text-to-SQL datasets, it often fails to improve performance and can even degrade it. Our investigation reveals the root cause: unlike math and code tasks, which naturally integrate Chain-of-Thought (CoT) reasoning with DPO, Text-to-SQL datasets typically include only final answers (gold SQL queries) without detailed CoT solutions. By augmenting Text-to-SQL datasets with synthetic CoT solutions, we achieve, for the first time, consistent and significant performance improvements using DPO.

Our analysis shows that CoT reasoning is crucial for unlocking DPO’s potential, as it mitigates reward hacking, strengthens discriminative capabilities, and improves scalability. These findings offer valuable insights for building more robust Text-to-SQL models. To support further research, we publicly release the code and CoT-enhanced datasets: https://github.com/RUCKBReasoning/DPO_Text2SQL.

Uncovering the Impact of Chain-of-Thought Reasoning for Direct Preference Optimization: Lessons from Text-to-SQL

Direct Preference Optimization (DPO) has emerged as a promising framework for aligning Large Language Models (LLMs) with human preferences by directly optimizing the log-likelihood difference between chosen and rejected responses. However, existing methods assign equal importance to all tokens in the response, while humans focus on more meaningful parts. This leads to suboptimal preference optimization, as irrelevant or noisy tokens disproportionately influence DPO loss. To address this limitation, we propose \textbf{O}ptimal \textbf{T}ransport-based token weighting scheme for enhancing direct \textbf{P}reference \textbf{O}ptimization (OTPO). By emphasizing semantically meaningful token pairs and de-emphasizing less relevant ones, our method introduces a context-aware token weighting scheme that yields a more contrastive reward difference estimate. This adaptive weighting enhances reward stability, improves interpretability, and ensures that preference optimization focuses on meaningful differences between responses. Extensive experiments have validated OTPO's effectiveness in improving instruction-following ability across various settings\footnote{Code is available at https://github.com/Mimasss2/OTPO.}.

Optimal Transport-Based Token Weighting scheme for Enhanced Preference Optimization

Multi-agent collaboration has emerged as a pivotal paradigm for addressing complex, distributed tasks in large language model (LLM)-driven applications. While prior research has focused on high-level architectural frameworks, the granular mechanisms governing agents—critical to performance and scalability—remain underexplored. This study systematically investigates four dimensions of collaboration strategies: (1) agent governance, (2) participation control, (3) interaction dynamics, and (4) dialogue history management. Through rigorous experimentation under two context-dependent scenarios—Distributed Evidence Integration (DEI) and Structured Evidence Synthesis (SES)—we quantify the impact of these strategies on both task accuracy and computational efficiency. Our findings reveal that centralized governance, instructor-led participation, ordered interaction patterns, and instructor-curated context summarization collectively optimize the trade-off between decision quality and resource utilization with the support of the proposed Token-Accuracy Ratio (TAR). This work establishes a foundation for designing adaptive, scalable multi-agent systems, shifting the focus from structural novelty to strategic interaction mechanics.

Beyond Frameworks: Unpacking Collaboration Strategies in Multi-Agent Systems

While feed-forward neurons in pre-trained language models (PLMs) can encode knowledge, past research targeted a small subset of neurons that heavily influence outputs.
This leaves the broader role of neuron activations unclear, limiting progress in areas like knowledge editing.
We uncover a global linear relationship between neuron activations and outputs using neuron interventions on a knowledge probing dataset.
The gradient of this linear relationship, which we call the **neuron empirical gradient (NEG)**, captures how changes in activations affect predictions.
To compute NEG efficiently, we propose **NeurGrad**, enabling large-scale analysis of neuron behavior in PLMs.
We also show that NEG effectively captures language skills across diverse prompts through skill neuron probing. 
Experiments on **MCEval8k**, a multi-genre multiple-choice knowledge benchmark, support NEG's ability to represent model knowledge. 
Further analysis highlights the key properties of NEG-based skill representation: efficiency, robustness, flexibility, and interdependency.
Code and data are released.

Neuron Empirical Gradient: Discovering and Quantifying Neurons’ Global Linear Controllability

Faithfulness hallucinations are claims generated by a Large Language Model (LLM) not supported by contexts provided to the LLM. Lacking assessment standards, existing benchmarks focus on "factual statements" that rephrase source materials while overlooking "cognitive statements" that involve making inferences from the given context. Consequently, evaluating and detecting the hallucination of cognitive statements remains challenging. Inspired by how evidence is assessed in the legal domain, we design a rigorous framework to assess different levels of faithfulness of cognitive statements and introduce the CogniBench dataset where we reveal insightful statistics. To keep pace with rapidly evolving LLMs, we further develop an automatic annotation pipeline that scales easily across different models. This results in a large-scale CogniBench-L dataset, which facilitates training accurate detectors for both factual and cognitive hallucinations. We release our model and datasets at: https://github.com/FUTUREEEEEE/CogniBench

CogniBench: A Legal-inspired Framework and Dataset for Assessing Cognitive Faithfulness of Large Language Models

Multiple-choice questions (MCQs) are a widely used and vital assessment format for evaluating large language models (LLMs). This study reveals that LLMs are susceptible to "cognitive load" caused by distractor options in MCQs, leading to excessive attention to distractors and consequent vacillation between correct and incorrect options. To mitigate this cognitive burden, we introduce a novel reasoning prompt strategy, called EoT, which effectively reduces cognitive load by steering the model’s attention away from erroneous options. This enables the model to focus more effectively on reasonable answers. Additionally, by documenting the elimination process, EoT enhances the transparency and interpretability of the model's reasoning. Experimental results demonstrate that EoT, as a plug-and-play approach, significantly reduces cognitive load and improves performance, showcasing its potential to enhance both the accuracy and interpretability of LLMs.

Exclusion of Thought: Mitigating Cognitive Load in Large Language Models for Enhanced Reasoning in Multiple-Choice Tasks

Cultural Heritage (CH) data hold invaluable knowledge, reflecting the history, traditions, and identities of societies, and shaping our understanding of the past and present. However, many CH collections contain outdated or offensive descriptions that reflect historical biases. CH Institutions (CHIs) face significant challenges in curating these data due to the vast scale and complexity of the task. To address this, we develop an AI-powered tool that detects offensive terms in CH metadata and provides contextual insights into their historical background and contemporary perception. We leverage a multilingual vocabulary co-created with marginalized communities, researchers, and CH professionals, along with traditional NLP techniques and Large Language Models (LLMs). Available as a standalone web app and integrated with major CH platforms, the tool has processed over 7.9 million records, contextualizing the contentious terms detected in their metadata. Rather than erasing these terms, our approach seeks to inform, making biases visible and providing actionable insights for creating more inclusive and accessible CH collections.

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CAMI: A Counselor Agent Supporting Motivational Interviewing through State Inference and Topic Exploration

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