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Predicting synergistic drug combinations can help accelerate discovery of cancer treatments, particularly therapies personalized to a patient's specific tumor via biopsied cells. In this paper, we propose a novel setting and models for…

Artificial Intelligence · Computer Science 2023-10-26 Carl Edwards , Aakanksha Naik , Tushar Khot , Martin Burke , Heng Ji , Tom Hope

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

Referring Expression Comprehension (REC) is a foundational cross-modal task that evaluates the interplay of language understanding, image comprehension, and language-to-image grounding. It serves as an essential testing ground for…

Computer Vision and Pattern Recognition · Computer Science 2025-06-16 Xuzheng Yang , Junzhuo Liu , Peng Wang , Guoqing Wang , Yang Yang , Heng Tao Shen

Emotion serves as an essential component in daily human interactions. Existing human motion generation frameworks do not consider the impact of emotions, which reduces naturalness and limits their application in interactive tasks, such as…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Chen Zhu , Buzhen Huang , Zijing Wu , Binghui Zuo , Yangang Wang

We present SynRXN, a unified benchmarking framework and open-data resource for computer-aided synthesis planning (CASP). SynRXN decomposes end-to-end synthesis planning into five task families, covering reaction rebalancing, atom-to-atom…

Machine Learning · Computer Science 2026-04-21 Tieu-Long Phan , Nhu-Ngoc Nguyen Song , Peter F. Stadler

The text-to-SQL problem aims to translate natural language questions into SQL statements to ease the interaction between database systems and end users. Recently, Large Language Models (LLMs) have exhibited impressive capabilities in a…

Databases · Computer Science 2025-04-04 Chen Shen , Jin Wang , Sajjadur Rahman , Eser Kandogan

User posts whose perceived toxicity depends on the conversational context are rare in current toxicity detection datasets. Hence, toxicity detectors trained on existing datasets will also tend to disregard context, making the detection of…

Computation and Language · Computer Science 2021-11-22 Alexandros Xenos , John Pavlopoulos , Ion Androutsopoulos , Lucas Dixon , Jeffrey Sorensen , Leo Laugier

Large pre-trained language models (PLMs) have made significant progress in encoding world knowledge and spawned a new set of learning paradigms including zero-shot, few-shot, and in-context learning. Many language tasks can be modeled as a…

Computation and Language · Computer Science 2023-05-25 Debaditya Shome , Kuldeep Yadav

Scene text synthesis involves rendering specified texts onto arbitrary images. Current methods typically formulate this task in an end-to-end manner but lack effective character-level guidance during training. Besides, their text encoders,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Yibin Wang , Weizhong Zhang , Honghui Xu , Cheng Jin

Recent virtual try-on approaches have advanced by finetuning pre-trained text-to-image diffusion models to leverage their powerful generative ability. However, the use of text prompts in virtual try-on remains underexplored. This paper…

Computer Vision and Pattern Recognition · Computer Science 2025-08-08 Jeongho Kim , Hoiyeong Jin , Sunghyun Park , Jaegul Choo

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

Computation and Language · Computer Science 2025-04-08 Jiatong Li , Wei Liu , Zhihao Ding , Wenqi Fan , Yuqiang Li , Qing Li

We study the pre-train + fine-tune strategy for data-to-text tasks. Our experiments indicate that text-to-text pre-training in the form of T5, enables simple, end-to-end transformer based models to outperform pipelined neural architectures…

Computation and Language · Computer Science 2021-07-12 Mihir Kale , Abhinav Rastogi

Scientific databases aggregate vast amounts of quantitative data alongside descriptive text. In biochemistry, molecule screening assays evaluate candidate molecules' functional responses against disease targets. Unstructured text that…

Machine Learning · Computer Science 2025-11-18 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

Recent advances in Multimodal Large Language Models (MLLMs) and diffusion-based generative models have substantially improved prompt-driven image editing. However, scene text editing remains challenging, as it requires models to precisely…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Yiheng Lin , Siyu Jiao , Xiaohan Lan , Wei Zhou , Qi She , Fei Yu , Heyun Chen , Zhengwei Wang , Jinghuan Chen , Moran Li , Yingchen Yu , Zijian Feng , Yao Zhao , Yunchao Wei , Yujie Zhong

Building an intelligent dialogue system with the ability to select a proper response according to a multi-turn context is a great challenging task. Existing studies focus on building a context-response matching model with various neural…

Computation and Language · Computer Science 2020-09-15 Ruijian Xu , Chongyang Tao , Daxin Jiang , Xueliang Zhao , Dongyan Zhao , Rui Yan

Molecular editing and optimization are multi-step problems that require iteratively improving properties while keeping molecules chemically valid and structurally similar. We frame both tasks as sequential, tool-guided decisions and…

Artificial Intelligence · Computer Science 2025-12-25 Zhuo Yang , Yeyun Chen , Jiaqing Xie , Ben Gao , Shuaike Shen , Wanhao Liu , Liujia Yang , Beilun Wang , Tianfan Fu , Yuqiang Li

We present Prompt Diffusion, a framework for enabling in-context learning in diffusion-based generative models. Given a pair of task-specific example images, such as depth from/to image and scribble from/to image, and a text guidance, our…

Computer Vision and Pattern Recognition · Computer Science 2023-10-20 Zhendong Wang , Yifan Jiang , Yadong Lu , Yelong Shen , Pengcheng He , Weizhu Chen , Zhangyang Wang , Mingyuan Zhou

We present a novel bi-directional Transformer architecture (BiXT) which scales linearly with input size in terms of computational cost and memory consumption, but does not suffer the drop in performance or limitation to only one input…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Markus Hiller , Krista A. Ehinger , Tom Drummond

Knowing a biomolecule's structure is inherently linked to and a prerequisite for any detailed understanding of its function. Significant effort has gone into developing technologies for structural characterization. These technologies do not…

Data Structures and Algorithms · Computer Science 2017-06-22 Michael Wegner , Oskar Taubert , Alexander Schug , Henning Meyerhenke

Text-to-image generation has witnessed great progress, especially with the recent advancements in diffusion models. Since texts cannot provide detailed conditions like object appearance, reference images are usually leveraged for the…

Computer Vision and Pattern Recognition · Computer Science 2024-04-09 Zhiqi Huang , Huixin Xiong , Haoyu Wang , Longguang Wang , Zhiheng Li