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Language models for molecular design have scaled to hundreds of millions of parameters, yet how they learn chemical grammar is poorly understood. We train SMolLM, a 53K-parameter weight-shared transformer, to generate novel SMILES with 95%…

Machine Learning · Computer Science 2026-05-29 Akhil Jindal , Harang Ju

A primary criticism towards language models (LMs) is their inscrutability. This paper presents evidence that, despite their size and complexity, LMs sometimes exploit a simple vector arithmetic style mechanism to solve some relational tasks…

Computation and Language · Computer Science 2024-04-04 Jack Merullo , Carsten Eickhoff , Ellie Pavlick

Manual vulnerability scoring, such as assigning Common Vulnerability Scoring System (CVSS) scores, is a resource-intensive process that is often influenced by subjective interpretation. This study investigates the potential of…

Cryptography and Security · Computer Science 2026-01-06 Sima Jafarikhah , Daniel Thompson , Eva Deans , Hossein Siadati , Yi Liu

In this work, we address question answering (QA) over a hybrid of tabular and textual data that are very common content on the Web (e.g. SEC filings), where discrete reasoning capabilities are often required. Recently, large language models…

Computation and Language · Computer Science 2024-10-01 Fengbin Zhu , Ziyang Liu , Fuli Feng , Chao Wang , Moxin Li , Tat-Seng Chua

Many applications of large language models (LLMs) require long-context understanding, but models continue to struggle with such tasks. We hypothesize that conventional next-token prediction training could contribute to this, because each…

Computation and Language · Computer Science 2025-03-13 Falko Helm , Nico Daheim , Iryna Gurevych

We present Backpacks: a new neural architecture that marries strong modeling performance with an interface for interpretability and control. Backpacks learn multiple non-contextual sense vectors for each word in a vocabulary, and represent…

Computation and Language · Computer Science 2023-05-29 John Hewitt , John Thickstun , Christopher D. Manning , Percy Liang

Large language models (LLMs) like ChatGPT have shown significant advancements across diverse natural language understanding (NLU) tasks, including intelligent dialogue and autonomous agents. Yet, lacking widely acknowledged testing…

Computation and Language · Computer Science 2024-05-10 Jinyang Wu , Feihu Che , Xinxin Zheng , Shuai Zhang , Ruihan Jin , Shuai Nie , Pengpeng Shao , Jianhua Tao

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

Large Language Models (LLMs), despite their impressive capabilities, often fail to accurately repeat a single word when prompted to, and instead output unrelated text. This unexplained failure mode represents a vulnerability, allowing even…

Machine Learning · Computer Science 2025-03-13 Itay Yona , Ilia Shumailov , Jamie Hayes , Federico Barbero , Yossi Gandelsman

This work introduces approaches to assessing phrase breaks in ESL learners' speech using pre-trained language models (PLMs) and large language models (LLMs). There are two tasks: overall assessment of phrase break for a speech clip and…

Computation and Language · Computer Science 2023-06-09 Zhiyi Wang , Shaoguang Mao , Wenshan Wu , Yan Xia , Yan Deng , Jonathan Tien

Black-box probing models can reliably extract linguistic features like tense, number, and syntactic role from pretrained word representations. However, the manner in which these features are encoded in representations remains poorly…

Computation and Language · Computer Science 2021-09-15 Evan Hernandez , Jacob Andreas

Large language models (LLMs) demonstrate remarkable potential across diverse language related tasks, yet whether they capture deeper linguistic properties, such as syntactic structure, phonetic cues, and metrical patterns from raw text…

Computation and Language · Computer Science 2025-12-05 Weiye Shi , Zhaowei Zhang , Shaoheng Yan , Yaodong Yang

This study investigates the internal representations of verb-particle combinations, called multi-word verbs, within transformer-based large language models (LLMs), specifically examining how these models capture lexical and syntactic…

Computation and Language · Computer Science 2025-02-10 Hassane Kissane , Achim Schilling , Patrick Krauss

The ability to transmit and receive complex information via language is unique to humans and is the basis of traditions, culture and versatile social interactions. Through the disruptive introduction of transformer based large language…

Computation and Language · Computer Science 2024-05-06 Patrick Krauss , Jannik Hösch , Claus Metzner , Andreas Maier , Peter Uhrig , Achim Schilling

The success of large pretrained language models (LMs) such as BERT and RoBERTa has sparked interest in probing their representations, in order to unveil what types of knowledge they implicitly capture. While prior research focused on…

Computation and Language · Computer Science 2020-10-13 Ivan Vulić , Edoardo Maria Ponti , Robert Litschko , Goran Glavaš , Anna Korhonen

Vocabulary tests, once a cornerstone of language modeling evaluation, have been largely overlooked in the current landscape of Large Language Models (LLMs) like Llama, Mistral, and GPT. While most LLM evaluation benchmarks focus on specific…

The progress of Large Language Models (LLMs) like ChatGPT raises the question of how they can be integrated into education. One hope is that they can support mathematics learning, including word-problem solving. Since LLMs can handle…

Computation and Language · Computer Science 2025-08-12 Anselm R. Strohmaier , Wim Van Dooren , Kathrin Seßler , Brian Greer , Lieven Verschaffel

Chain-of-thought (CoT) has emerged as a critical mechanism for enhancing reasoning capabilities in large language models (LLMs), with self-consistency demonstrating notable promise in boosting performance. However, inherent linguistic…

Computation and Language · Computer Science 2025-04-03 Zhiwei Yu , Tuo Li , Changhong Wang , Hui Chen , Lang Zhou

Large Language Models (LLMs) perform internal computations in continuous vector spaces yet produce discrete tokens -- a fundamental mismatch whose geometric consequences remain poorly understood. We develop a mathematical framework that…

Machine Learning · Computer Science 2026-03-25 Mohamed A. Mabrok

Malicious URL classification represents a crucial aspect of cyber security. Although existing work comprises numerous machine learning and deep learning-based URL classification models, most suffer from generalisation and domain-adaptation…

Artificial Intelligence · Computer Science 2024-09-24 Fariza Rashid , Nishavi Ranaweera , Ben Doyle , Suranga Seneviratne