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Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

Machine Learning · Computer Science 2025-08-25 Kamran Chitsaz , Roshan Balaji , Quentin Fournier , Nirav Pravinbhai Bhatt , Sarath Chandar

Previous language model pre-training methods have uniformly applied a next-token prediction loss to all training tokens. Challenging this norm, we posit that "9l training". Our initial analysis examines token-level training dynamics of…

Computation and Language · Computer Science 2025-01-09 Zhenghao Lin , Zhibin Gou , Yeyun Gong , Xiao Liu , Yelong Shen , Ruochen Xu , Chen Lin , Yujiu Yang , Jian Jiao , Nan Duan , Weizhu Chen

Large language models (LLMs) are typically trained on enormous quantities of unlicensed text, a practice that has led to scrutiny due to possible intellectual property infringement and ethical concerns. Training LLMs on openly licensed text…

High-quality math datasets are crucial for advancing the reasoning abilities of large language models (LLMs). However, existing datasets often suffer from three key issues: outdated and insufficient challenging content, neglecting…

Retrieval-augmented generation (RAG) improves language model (LM) performance by providing relevant context at test time for knowledge-intensive situations. However, the relationship between parametric knowledge acquired during pretraining…

Computation and Language · Computer Science 2026-04-02 Karan Singh , Michael Yu , Varun Gangal , Zhuofu Tao , Sachin Kumar , Emmy Liu , Steven Y. Feng

While frontier large language models demonstrate strong reasoning and mathematical capabilities, the practical process of training domain-specialized scientific language models from raw sources remains under-documented. In this work, we…

Artificial Intelligence · Computer Science 2026-02-20 Anuj Gupta

A fine-grained data recipe is crucial for pre-training large language models, as it can significantly enhance training efficiency and model performance. One important ingredient in the recipe is to select samples based on scores produced by…

Computation and Language · Computer Science 2026-01-01 Ziqing Fan , Yuqiao Xian , Yan Sun , Li Shen

Reinforcement learning (RL) with large language models shows promise in complex reasoning. However, its progress is hindered by the lack of large-scale training data that is sufficiently challenging, contamination-free and verifiable. To…

We present Innovator-VL, a scientific multimodal large language model designed to advance understanding and reasoning across diverse scientific domains while maintaining excellent performance on general vision tasks. Contrary to the trend…

Pre-trained language models for code (PLMCs) have gained attention in recent research. These models are pre-trained on large-scale datasets using multi-modal objectives. However, fine-tuning them requires extensive supervision and is…

Computation and Language · Computer Science 2023-05-11 Hung Quoc To , Nghi D. Q. Bui , Jin Guo , Tien N. Nguyen

Large Language Models (LLMs) increasingly exhibit strong reasoning abilities, often attributed to their capacity to generate chain-of-thought-style intermediate reasoning. Recent work suggests that exposure to code can further enhance these…

Machine Learning · Computer Science 2026-01-30 Lukas Twist , Shu Yang , Hanqi Yan , Jingzhi Gong , Di Wang , Helen Yannakoudakis , Jie M. Zhang

Large language models (LLMs) have become increasingly prominent in academia and industry due to their remarkable performance in diverse applications. As these models evolve with increasing parameters, they excel in tasks like sentiment…

Machine Learning · Computer Science 2023-11-14 Le Chen , Arijit Bhattacharjee , Nesreen K. Ahmed , Niranjan Hasabnis , Gal Oren , Bin Lei , Ali Jannesari

We present the HPLT (High Performance Language Technologies) language resources, a new massive multilingual dataset including both monolingual and bilingual corpora extracted from CommonCrawl and previously unused web crawls from the…

Effective math tutoring requires not only solving problems but also diagnosing students' difficulties and guiding them step by step. While multimodal large language models (MLLMs) show promise, existing benchmarks largely overlook these…

Computation and Language · Computer Science 2026-05-15 Tengchao Yang , Sichen Guo , Mengzhao Jia , Jiaming Su , Yuanyang Liu , Zhihan Zhang , Meng Jiang

Adapting small instruction-tuned models to specialized domains often relies on supervised fine-tuning (SFT) on curated instruction-response examples, which is expensive to collect at scale. Synthetic training examples generated by a teacher…

Computation and Language · Computer Science 2026-05-20 Arun K Lenin , Kai Rouse , Andrea Nicastro , Anna Leontjeva

High-resource languages such as English, enables the pretraining of high-quality large language models (LLMs). The same can not be said for most other languages as LLMs still underperform for non-English languages, likely due to a gap in…

Computation and Language · Computer Science 2025-02-20 Jiayi Wang , Yao Lu , Maurice Weber , Max Ryabinin , David Adelani , Yihong Chen , Raphael Tang , Pontus Stenetorp

The performance emergence of large language models (LLMs) driven by data scaling laws makes the selection of pre-training data increasingly important. However, existing methods rely on limited heuristics and human intuition, lacking…

Computation and Language · Computer Science 2025-04-09 Ru Peng , Kexin Yang , Yawen Zeng , Junyang Lin , Dayiheng Liu , Junbo Zhao

Large Language Models (LLMs) have limited performance when solving arithmetic reasoning tasks and often provide incorrect answers. Unlike natural language understanding, math problems typically have a single correct answer, making the task…

Computation and Language · Computer Science 2023-03-10 Shima Imani , Liang Du , Harsh Shrivastava

Many of the recent breakthroughs in language modeling have resulted from scaling effectively the same model architecture to larger datasets. In this vein, recent work has highlighted performance gains from increasing training dataset size…

Computation and Language · Computer Science 2024-09-30 Siyan Wang , Bradford Levy

Large language models (LLMs) make remarkable progress in reasoning tasks. Among different reasoning modes, inductive reasoning, due to its better alignment with human learning, attracts increasing interest. However, research on inductive…

Computation and Language · Computer Science 2025-10-17 Kedi Chen , Zhikai Lei , Xu Guo , Xuecheng Wu , Siyuan Zeng , Jianghao Yin , Yinqi Zhang , Qin Chen , Jie Zhou , Liang He , Qipeng Guo , Kai Chen , Wei Zhang