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Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the…

Computation and Language · Computer Science 2026-04-29 Jiatong Li , Yunqing Liu , Wei Liu , Jingdi Le , Di Zhang , Wenqi Fan , Dongzhan Zhou , Yuqiang Li , Qing Li

Code-mixed languages, characterized by frequent within-sentence language transitions, present structural challenges that standard language models fail to address. In this work, we propose CMLFormer, an enhanced multi-layer dual-decoder…

Computation and Language · Computer Science 2025-05-20 Aditeya Baral , Allen George Ajith , Roshan Nayak , Mrityunjay Abhijeet Bhanja

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Large Language Models (LLMs) are increasingly used as powerful tools for several high-stakes natural language processing (NLP) applications. Recent prompting works claim to elicit intermediate reasoning steps and key tokens that serve as…

Computation and Language · Computer Science 2023-11-08 Sree Harsha Tanneru , Chirag Agarwal , Himabindu Lakkaraju

Large language models (LLMs) exhibit failures on elementary symbolic tasks such as character counting in a word, despite excelling on complex benchmarks. Although this limitation has been noted, the internal reasons remain unclear. We use…

Computation and Language · Computer Science 2026-04-02 Ayan Datta , Mounika Marreddy , Alexander Mehler , Zhixue Zhao , Radhika Mamidi

Evaluating whether vision-language models (VLMs) reason consistently across representations is challenging because modality comparisons are typically confounded by task differences and asymmetric information. We introduce SEAM, a benchmark…

Artificial Intelligence · Computer Science 2025-08-26 Zhenwei Tang , Difan Jiao , Blair Yang , Ashton Anderson

Large language models (LLMs), endowed with exceptional reasoning capabilities, are adept at discerning profound user interests from historical behaviors, thereby presenting a promising avenue for the advancement of recommendation systems.…

Information Retrieval · Computer Science 2024-12-19 Guanghan Li , Xun Zhang , Yufei Zhang , Yifan Yin , Guojun Yin , Wei Lin

ML models have errors when used for predictions. The errors are unknown but can be quantified by model uncertainty. When multiple ML models are trained using the same training points, their model uncertainties may be statistically…

Machine Learning · Statistics 2025-09-23 Xiaoping Du

Large language models (LLMs) are a promising venue for natural language understanding and generation. However, current LLMs are far from reliable: they are prone to generating non-factual information and, more crucially, to contradicting…

Computation and Language · Computer Science 2024-09-24 Diego Calanzone , Stefano Teso , Antonio Vergari

Pretrained language model (PLM) hidden states are frequently employed as contextual word embeddings (CWE): high-dimensional representations that encode semantic information given linguistic context. Across many areas of computational…

Computation and Language · Computer Science 2024-08-09 Jacob A. Matthews , John R. Starr , Marten van Schijndel

In this paper we motivate the causal mechanisms behind sample selection induced collider bias (selection collider bias) that can cause Large Language Models (LLMs) to learn unconditional dependence between entities that are unconditionally…

Computation and Language · Computer Science 2022-09-14 Emily McMilin

Large language models (LLMs) take sequences of subwords as input, requiring them to effective compose subword representations into meaningful word-level representations. In this paper, we present a comprehensive set of experiments to probe…

Computation and Language · Computer Science 2025-08-26 Qiwei Peng , Yekun Chai , Anders Søgaard

Multilingual language models (MLLMs) have demonstrated remarkable abilities to transfer knowledge across languages, despite being trained without explicit cross-lingual supervision. We analyze the parameter spaces of three MLLMs to study…

Computation and Language · Computer Science 2025-06-03 Frederick Riemenschneider , Anette Frank

Color serves as a fundamental dimension of human visual perception and a primary means of communicating about objects and scenes. As vision-language models (VLMs) become increasingly prevalent, understanding whether they name colors like…

Computer Vision and Pattern Recognition · Computer Science 2025-09-29 Alexandra Gomez-Villa , Pablo Hernández-Cámara , Muhammad Atif Butt , Valero Laparra , Jesus Malo , Javier Vazquez-Corral

Recent years have witnessed a significant increase in the performance of Vision and Language tasks. Foundational Vision-Language Models (VLMs), such as CLIP, have been leveraged in multiple settings and demonstrated remarkable performance…

Computer Vision and Pattern Recognition · Computer Science 2024-03-04 Santiago Castro , Amir Ziai , Avneesh Saluja , Zhuoning Yuan , Rada Mihalcea

Machine learning has transformed material discovery for inorganic compounds and small molecules, yet polymers remain largely inaccessible to these methods. While data scarcity is often cited as the primary bottleneck, we demonstrate that…

Machine Learning · Computer Science 2025-12-09 Jihun Ahn , Gabriella Pasya Irianti , Vikram Thapar , Su-Mi Hur

Protein language models (PLMs) encode rich biological information, yet their internal neuron representations are poorly understood. We introduce the first automated framework for labeling every neuron in a PLM with biologically grounded…

Machine Learning · Computer Science 2025-07-10 Arjun Banerjee , David Martinez , Camille Dang , Ethan Tam

Compositional generalization benchmarks for semantic parsing seek to assess whether models can accurately compute meanings for novel sentences, but operationalize this in terms of logical form (LF) prediction. This raises the concern that…

Computation and Language · Computer Science 2024-01-25 Zhengxuan Wu , Christopher D. Manning , Christopher Potts

Scientific language models drive research innovation but require extensive fine-tuning on large datasets. This work enhances such models by improving their inference and evaluation capabilities with minimal or no additional training.…

Computation and Language · Computer Science 2025-05-27 Dimitris Gkoumas , Maria Liakata

Language Models (LMs) have shown promising performance in natural language generation. However, as LMs often generate incorrect or hallucinated responses, it is crucial to correctly quantify their uncertainty in responding to given inputs.…

Computation and Language · Computer Science 2024-09-17 Xinmeng Huang , Shuo Li , Mengxin Yu , Matteo Sesia , Hamed Hassani , Insup Lee , Osbert Bastani , Edgar Dobriban