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Developing new drugs is laborious and costly, demanding extensive time investment. In this paper, we introduce a de-novo drug design strategy, which harnesses the capabilities of language models to devise targeted drugs for specific…

Biomolecules · Quantitative Biology 2025-05-20 Salma J. Ahmed , Emad A. Mohammed

Graphical User Interface (GUI) Agents, benefiting from recent advances in multimodal large language models (MLLM), have achieved significant development. However, due to the frequent updates of GUI applications, adapting to new tasks…

Machine Learning · Computer Science 2026-03-10 Zhenquan Yao , Zitong Huang , Yihan Zeng , Jianhua Han , Hang Xu , Chun-Mei Feng , Jianwei Ma , Wangmeng Zuo

The standard definition generation task requires to automatically produce mono-lingual definitions (e.g., English definitions for English words), but ignores that the generated definitions may also consist of unfamiliar words for language…

Computation and Language · Computer Science 2023-06-12 Hengyuan Zhang , Dawei Li , Yanran Li , Chenming Shang , Chufan Shi , Yong Jiang

Deep learning agents can achieve high performance in complex game domains without often understanding the underlying causal game mechanics. To address this, we investigate Causal Induction: the ability to infer governing laws from…

Artificial Intelligence · Computer Science 2026-02-03 Mohit Jiwatode , Alexander Dockhorn , Bodo Rosenhahn

The alignments of reasoning abilities between smaller and larger Language Models are largely conducted via Supervised Fine-Tuning (SFT) using demonstrations generated from robust Large Language Models (LLMs). Although these approaches…

Computation and Language · Computer Science 2025-01-28 Leonardo Ranaldi , Andrè Freitas

Large language models (LLMs) trained via pretraining and supervised fine-tuning (SFT) can still produce harmful and misaligned outputs, or struggle in domains like math and coding. Reinforcement learning (RL)-based post-training methods,…

Computation and Language · Computer Science 2026-05-19 Zhichao Wang , Kiran Ramnath , Bin Bi , Shiva Kumar Pentyala , Sougata Chaudhuri , Shubham Mehrotra , Zixu , Zhu , Xiang-Bo Mao , Sitaram Asur , Na , Cheng

The advent of large pre-trained generative language models has provided a common framework for AI story generation via sampling the model to create sequences that continue the story. However, sampling alone is insufficient for story…

Computation and Language · Computer Science 2021-12-17 Amal Alabdulkarim , Winston Li , Lara J. Martin , Mark O. Riedl

Retrieval-Augmented Generation (RAG) merges retrieval methods with deep learning advancements to address the static limitations of large language models (LLMs) by enabling the dynamic integration of up-to-date external information. This…

Information Retrieval · Computer Science 2026-05-19 Yizheng Huang , Jimmy Huang

Feature generation can significantly enhance learning outcomes, particularly for tasks with limited data. An effective way to improve feature generation is to expand the current feature space using existing features and enriching the…

Computation and Language · Computer Science 2025-11-11 Xinhao Zhang , Jinghan Zhang , Fengran Mo , Dakshak Keerthi Chandra , Yu-Zhong Chen , Fei Xie , Kunpeng Liu

We present RPGBench, the first benchmark designed to evaluate large language models (LLMs) as text-based role-playing game (RPG) engines. RPGBench comprises two core tasks: Game Creation (GC) and Game Simulation (GS). In GC, an LLM must…

Computation and Language · Computer Science 2025-02-04 Pengfei Yu , Dongming Shen , Silin Meng , Jaewon Lee , Weisu Yin , Andrea Yaoyun Cui , Zhenlin Xu , Yi Zhu , Xingjian Shi , Mu Li , Alex Smola

Background: Over the past few decades, the process and methodology of automated question generation (AQG) have undergone significant transformations. Recent progress in generative natural language models has opened up new potential in the…

Artificial Intelligence · Computer Science 2024-12-06 Dominic Lohr , Marc Berges , Abhishek Chugh , Michael Kohlhase , Dennis Müller

Large language models (LLMs) like ChatGPT and GPT-4 have attracted great attention given their surprising performance on a wide range of NLP tasks. Length controlled generation of LLMs emerges as an important topic, which enables users to…

Computation and Language · Computer Science 2023-10-03 Renlong Jie , Xiaojun Meng , Lifeng Shang , Xin Jiang , Qun Liu

While Large Language Models (LLMs) excel at code generation by learning from vast code corpora, a fundamental semantic gap remains between their training on textual patterns and the goal of functional correctness, which is governed by…

Software Engineering · Computer Science 2026-04-23 Xue Jiang , Yihong Dong , Mengyang Liu , Hongyi Deng , Tian Wang , Yongding Tao , Rongyu Cao , Binhua Li , Zhi Jin , Wenpin Jiao , Fei Huang , Yongbin Li , Ge Li

Traditionally, AI development for two-player zero-sum games has relied on two primary techniques: decision trees and reinforcement learning (RL). A common approach involves using a fixed decision tree as one player's strategy while training…

Artificial Intelligence · Computer Science 2024-12-18 Junjie Lin , Jian Zhao , Lin Liu , Yue Deng , Youpeng Zhao , Lanxiao Huang , Xia Lin , Wengang Zhou , Houqiang Li

A safe and trustworthy use of Large Language Models (LLMs) requires an accurate expression of confidence in their answers. We propose a novel Reinforcement Learning approach that allows to directly fine-tune LLMs to express calibrated…

Computation and Language · Computer Science 2026-03-03 David Bani-Harouni , Chantal Pellegrini , Paul Stangel , Ege Özsoy , Kamilia Zaripova , Nassir Navab , Matthias Keicher

Despite the superior performance of large language models to generate natural language texts, it is hard to generate texts with correct logic according to a given task, due to the difficulties for neural models to capture implied rules from…

Computation and Language · Computer Science 2024-07-08 Fan Zhang , Kebing Jin , Hankz Hankui Zhuo

Generative artificial intelligence (Generative AI), and in particular Large Language Models (LLMs) have gained significant popularity among researchers and industrial communities, paving the way for integrating LLMs in different domains,…

Computer Science and Game Theory · Computer Science 2024-10-15 Alonso Silva

Large Language Models (LLMs) have made substantial strides in structured tasks through Reinforcement Learning (RL), demonstrating proficiency in mathematical reasoning and code generation. However, applying RL in broader domains like…

Computation and Language · Computer Science 2025-02-10 Hao Sun , Yunyi Shen , Jean-Francois Ton , Mihaela van der Schaar

Reinforcement Learning (RL) is a promising approach for solving various control, optimization, and sequential decision making tasks. However, designing reward functions for complex tasks (e.g., with multiple objectives and safety…

Artificial Intelligence · Computer Science 2021-07-23 Xuan Zhao , Marcos Campos

Long-tail recognition is challenging because it requires the model to learn good representations from tail categories and address imbalances across all categories. In this paper, we propose a novel generative and fine-tuning framework,…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Qihao Zhao , Yalun Dai , Hao Li , Wei Hu , Fan Zhang , Jun Liu