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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

Resolving semantic ambiguity has long been recognised as a central challenge in the field of Machine Translation. Recent work on benchmarking translation performance on ambiguous sentences has exposed the limitations of conventional Neural…

Computation and Language · Computer Science 2023-10-24 Vivek Iyer , Pinzhen Chen , Alexandra Birch

One way to interpret the reasoning power of transformer-based language models is to describe the types of logical rules they can resolve over some input text. Recently, Chiang et al. (2023) showed that finite-precision transformers can be…

Machine Learning · Computer Science 2025-09-12 William Merrill , Ashish Sabharwal

Transformer-based language models excel in NLP tasks, but fine-grained control remains challenging. This paper explores methods for manipulating transformer models through principled interventions at three levels: prompts, activations, and…

Computation and Language · Computer Science 2025-09-08 Faruk Alpay , Taylan Alpay

Autoregressive neural language models (LMs) generate a probability distribution over tokens at each time step given a prompt. In this work, we attempt to systematically understand the probability distributions that LMs can produce, showing…

Computation and Language · Computer Science 2025-09-23 Haojin Wang , Zining Zhu , Freda Shi

The advancement of large language models (LLMs) for real-world applications hinges critically on enhancing their reasoning capabilities. In this work, we explore the reasoning abilities of large language models (LLMs) through their…

Artificial Intelligence · Computer Science 2024-07-04 Romain Cosentino , Sarath Shekkizhar

Large language models (LLMs) have achieved impressive performance on many natural language processing tasks. However, their capabilities on graph-structured data remain relatively unexplored. In this paper, we conduct a series of…

Machine Learning · Computer Science 2023-10-10 Yuntong Hu , Zheng Zhang , Liang Zhao

Large Language Models (LLMs) offer transformative potential for Modeling & Simulation (M&S) through natural language interfaces that simplify workflows. However, over-reliance risks compromising quality due to ambiguities, logical…

Software Engineering · Computer Science 2025-06-16 Philippe J. Giabbanelli , John Beverley , Istvan David , Andreas Tolk

Multimodal language models (MLLMs) require large parameter capacity to align high-dimensional visual features with linguistic representations, making them computationally heavy and difficult to deploy efficiently. We introduce a progressive…

Computer Vision and Pattern Recognition · Computer Science 2025-12-10 Jawad Ibn Ahad , Maisha Rahman , Amrijit Biswas , Muhammad Rafsan Kabir , Robin Krambroeckers , Sifat Momen , Nabeel Mohammed , Shafin Rahman

Large Language Models (LLMs) have made significant advances in natural language processing, but their underlying mechanisms are often misunderstood. Despite exhibiting coherent answers and apparent reasoning behaviors, LLMs rely on…

Computation and Language · Computer Science 2024-08-05 Bo Zhou , Daniel Geißler , Paul Lukowicz

The usage of transformers has grown from learning about language semantics to forming meaningful visiolinguistic representations. These architectures are often over-parametrized, requiring large amounts of computation. In this work, we…

Computation and Language · Computer Science 2020-07-09 Prajjwal Bhargava

Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in…

Machine Learning · Computer Science 2024-12-13 Oscar Skean , Md Rifat Arefin , Yann LeCun , Ravid Shwartz-Ziv

We present evidence that language models (LMs) of code can learn to represent the formal semantics of programs, despite being trained only to perform next-token prediction. Specifically, we train a Transformer model on a synthetic corpus of…

Machine Learning · Computer Science 2024-08-06 Charles Jin , Martin Rinard

We present power low rank ensembles (PLRE), a flexible framework for n-gram language modeling where ensembles of low rank matrices and tensors are used to obtain smoothed probability estimates of words in context. Our method can be…

Computation and Language · Computer Science 2014-10-06 Ankur P. Parikh , Avneesh Saluja , Chris Dyer , Eric P. Xing

Prompt engineering has emerged as a powerful technique for guiding large language models (LLMs) toward desired responses, significantly enhancing their performance across diverse tasks. Beyond their role as static predictors, LLMs…

Machine Learning · Computer Science 2025-03-27 Ryumei Nakada , Wenlong Ji , Tianxi Cai , James Zou , Linjun Zhang

Word representation has always been an important research area in the history of natural language processing (NLP). Understanding such complex text data is imperative, given that it is rich in information and can be used widely across…

Computation and Language · Computer Science 2020-11-10 Usman Naseem , Imran Razzak , Shah Khalid Khan , Mukesh Prasad

The transformers have achieved significant accomplishments in the natural language processing as its outstanding parallel processing capabilities and highly flexible attention mechanism. In addition, increasing studies based on transformers…

Computation and Language · Computer Science 2024-07-19 Wei Lan , Guohang He , Mingyang Liu , Qingfeng Chen , Junyue Cao , Wei Peng

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Transformers are widely deployed in large language models (LLMs), yet most models still fail on basic arithmetic tasks such as multidigit addition. In contrast, we show that small transformers trained from scratch can solve n-digit addition…

Machine Learning · Computer Science 2025-10-06 Philip Quirke , Clement Neo , Fazl Barez

Dealing with the complex word forms in morphologically rich languages is an open problem in language processing, and is particularly important in translation. In contrast to most modern neural systems of translation, which discard the…

Neural and Evolutionary Computing · Computer Science 2016-06-15 Ekaterina Vylomova , Trevor Cohn , Xuanli He , Gholamreza Haffari