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Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

Machine Learning · Computer Science 2023-07-17 Chen Qian , Huayi Tang , Zhirui Yang , Hong Liang , Yong Liu

Large Language Models (LLMs) have demonstrated remarkable capabilities in various NLP tasks. However, previous works have shown these models are sensitive towards prompt wording, and few-shot demonstrations and their order, posing…

Computation and Language · Computer Science 2023-08-23 Pouya Pezeshkpour , Estevam Hruschka

Language models (LMs) are statistical models trained to assign probability to human-generated text. As such, it is reasonable to question whether they approximate linguistic variability exhibited by humans well. This form of statistical…

Computation and Language · Computer Science 2024-03-19 Evgenia Ilia , Wilker Aziz

Causal inference has been a pivotal challenge across diverse domains such as medicine and economics, demanding a complicated integration of human knowledge, mathematical reasoning, and data mining capabilities. Recent advancements in…

Computation and Language · Computer Science 2025-02-11 Jing Ma

Large Language Models (LLMs) have demonstrated substantial progress in biomedical and clinical applications, motivating rigorous evaluation of their ability to answer nuanced, evidence-based questions. We curate a multi-source benchmark…

Computation and Language · Computer Science 2025-09-16 Can Wang , Yiqun Chen

The impressive linguistic abilities of large language models (LLMs) have recommended them as models of human sentence processing, with some conjecturing a positive 'quality-power' relationship (Wilcox et al., 2023), in which language…

Computation and Language · Computer Science 2025-05-20 Yi-Chien Lin , Hongao Zhu , William Schuler

We posit that large language models (LLMs) should be capable of expressing their intrinsic uncertainty in natural language. For example, if the LLM is equally likely to output two contradicting answers to the same question, then its…

Computation and Language · Computer Science 2024-09-27 Gal Yona , Roee Aharoni , Mor Geva

Over the past few years, Large Language Models (LLMs) have developed rapidly and are widely applied in various domains. However, LLMs face the issue of hallucinations, generating responses that may be unreliable when the models lack…

Computation and Language · Computer Science 2025-05-12 Huan Ma , Jingdong Chen , Joey Tianyi Zhou , Guangyu Wang , Changqing Zhang

Recent claims of strong performance by Large Language Models (LLMs) on causal discovery are undermined by a key flaw: many evaluations rely on benchmarks likely included in pretraining corpora. Thus, apparent success suggests that LLM-only…

Scaling laws have allowed Pre-trained Language Models (PLMs) into the field of causal reasoning. Causal reasoning of PLM relies solely on text-based descriptions, in contrast to causal discovery which aims to determine the causal…

In the absence of abundant reliable annotations for challenging tasks and contexts, how can we expand the frontier of LLM capabilities with potentially wrong answers? We focus on two research questions: (1) Can LLMs generate reliable…

Computation and Language · Computer Science 2024-10-16 Jihan Yao , Wenxuan Ding , Shangbin Feng , Lucy Lu Wang , Yulia Tsvetkov

Large language models (LLMs) exhibit pronounced conservative bias in relation extraction tasks, frequently defaulting to No_Relation label when an appropriate option is unavailable. While this behavior helps prevent incorrect relation…

Computation and Language · Computer Science 2025-06-11 Toyin Aguda , Erik Wilson , Allan Anzagira , Simerjot Kaur , Charese Smiley

Large Language Models have demonstrated remarkable capabilities in natural language processing, yet their decision-making processes often lack transparency. This opaqueness raises significant concerns regarding trust, bias, and model…

The widespread public deployment of large language models (LLMs) in recent months has prompted a wave of new attention and engagement from advocates, policymakers, and scholars from many fields. This attention is a timely response to the…

Computation and Language · Computer Science 2023-04-04 Samuel R. Bowman

Automated clinical text anonymization has the potential to unlock the widespread sharing of textual health data for secondary usage while assuring patient privacy and safety. Despite the proposal of many complex and theoretically successful…

Computation and Language · Computer Science 2024-06-05 David Pissarra , Isabel Curioso , João Alveira , Duarte Pereira , Bruno Ribeiro , Tomás Souper , Vasco Gomes , André V. Carreiro , Vitor Rolla

Knowing the uncertainty in a prediction is critical when making expensive investment decisions and when patient safety is paramount, but machine learning (ML) models in drug discovery typically provide only a single best estimate and ignore…

Machine Learning · Computer Science 2021-06-03 Stanley E. Lazic , Dominic P. Williams

We present a state-of-the-art model for fine-grained probability estimation of propositions conditioned on context. Recent advances in large language models (LLMs) have significantly enhanced their reasoning capabilities, particularly on…

Computation and Language · Computer Science 2026-04-28 Liaoyaqi Wang , Zhengping Jiang , Anqi Liu , Benjamin Van Durme

Large language models (LLMs) are increasingly employed in information-seeking and decision-making tasks. Despite their broad utility, LLMs tend to generate information that conflicts with real-world facts, and their persuasive style can…

Computation and Language · Computer Science 2024-09-19 Arslan Chaudhry , Sridhar Thiagarajan , Dilan Gorur

Large Language Models (LLMs) are being increasingly integrated into software systems, offering powerful capabilities but also raising concerns about fairness. Existing fairness benchmarks, however, focus on stereotype-specific associations,…

Software Engineering · Computer Science 2026-04-08 Gianmario Voria , Martina De Lucia , Alessandra Raia , Andrea De Lucia , Gemma Catolino , Fabio Palomba

Large Language Models (LLMs) have gained significant attention in the medical domain for their human-level capabilities, leading to increased efforts to explore their potential in various healthcare applications. However, despite such a…

Artificial Intelligence · Computer Science 2024-10-25 Yifan Yang , Qiao Jin , Qingqing Zhu , Zhizheng Wang , Francisco Erramuspe Álvarez , Nicholas Wan , Benjamin Hou , Zhiyong Lu