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Conformal prediction is a framework for uncertainty quantification that constructs prediction sets for previously unseen data, guaranteeing coverage of the true label with a specified probability. However, the efficiency of these prediction…

Machine Learning · Computer Science 2026-01-06 Erfan Hajihashemi , Yanning Shen

Existing LLM-based medical question-answering systems lack citation generation and evaluation capabilities, raising concerns about their adoption in practice. In this work, we introduce \name, the first end-to-end framework that facilitates…

Computation and Language · Computer Science 2025-06-10 Xiao Wang , Mengjue Tan , Qiao Jin , Guangzhi Xiong , Yu Hu , Aidong Zhang , Zhiyong Lu , Minjia Zhang

Combination therapy has shown to improve therapeutic efficacy while reducing side effects. Importantly, it has become an indispensable strategy to overcome resistance in antibiotics, anti-microbials, and anti-cancer drugs. Facing enormous…

Molecular Networks · Quantitative Biology 2020-04-24 Mostafa Karimi , Arman Hasanzadeh , Yang shen

Most conditional generation tasks expect diverse outputs given a single conditional context. However, conditional generative adversarial networks (cGANs) often focus on the prior conditional information and ignore the input noise vectors,…

Computer Vision and Pattern Recognition · Computer Science 2019-05-07 Qi Mao , Hsin-Ying Lee , Hung-Yu Tseng , Siwei Ma , Ming-Hsuan Yang

Medication recommendation is one of the most critical health-related applications, which has attracted extensive research interest recently. Most existing works focus on a single hospital with abundant medical data. However, many small…

Information Retrieval · Computer Science 2024-12-31 Qidong Liu , Zhaopeng Qiu , Xiangyu Zhao , Xian Wu , Zijian Zhang , Tong Xu , Feng Tian

With the overwhelming online products available in recent years, there is an increasing need to filter and deliver relevant personalized advice for users. Recommender systems solve this problem by modeling and predicting individual…

Machine Learning · Statistics 2020-02-11 Antonia Godoy-Lorite , Roger Guimera , Marta Sales-Pardo

Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…

Machine Learning · Statistics 2021-05-28 Pietro Bongini , Monica Bianchini , Franco Scarselli

Many current applications use recommendations in order to modify the natural user behavior, such as to increase the number of sales or the time spent on a website. This results in a gap between the final recommendation objective and the…

Information Retrieval · Computer Science 2018-08-06 Stephen Bonner , Flavian Vasile

Despite recent advances, the remaining bottlenecks in deep generative models are necessity of extensive training and difficulties with generalization from small number of training examples. We develop a new generative model called…

Machine Learning · Statistics 2017-09-06 Sergey Bartunov , Dmitry P. Vetrov

Data-driven generative modeling has made remarkable progress by leveraging the power of deep neural networks. A reoccurring challenge is how to enable a model to generate a rich variety of samples from the entire target distribution, rather…

Graphics · Computer Science 2019-09-04 Nadav Schor , Oren Katzir , Hao Zhang , Daniel Cohen-Or

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph…

Machine Learning · Computer Science 2019-02-26 Jiaxuan You , Bowen Liu , Rex Ying , Vijay Pande , Jure Leskovec

Online conformal prediction has demonstrated its capability to construct a prediction set for each incoming data point that covers the true label with a predetermined probability. To cope with potential distribution shift, multi-model…

Machine Learning · Computer Science 2025-10-14 Erfan Hajihashemi , Yanning Shen

Drug discovery using deep learning has attracted a lot of attention of late as it has obvious advantages like higher efficiency, less manual guessing and faster process time. In this paper, we present a novel neural network for generating…

Biomolecules · Quantitative Biology 2021-10-08 Abhinav Sagar

Generating paragraphs of diverse contents is important in many applications. Existing generation models produce similar contents from homogenized contexts due to the fixed left-to-right sentence order. Our idea is permuting the sentence…

Computation and Language · Computer Science 2021-09-08 Wenhao Yu , Chenguang Zhu , Tong Zhao , Zhichun Guo , Meng Jiang

In recent years, diffusion models have gained popularity for their ability to generate higher-quality images in comparison to GAN models. However, like any other large generative models, these models require a huge amount of data,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Rajesh Shrestha , Bowen Xie

Recent advancements in medical entity linking have been applied in the area of scientific literature and social media data. However, with the adoption of telemedicine and conversational agents such as Alexa in healthcare settings, medical…

Computation and Language · Computer Science 2020-10-13 Shaoqing Yuan , Parminder Bhatia , Busra Celikkaya , Haiyang Liu , Kyunghwan Choi

Accurate recommendation and reliable explanation are two key issues for modern recommender systems. However, most recommendation benchmarks only concern the prediction of user-item ratings while omitting the underlying causes behind the…

Information Retrieval · Computer Science 2022-02-24 Yan Lyu , Sunhao Dai , Peng Wu , Quanyu Dai , Yuhao Deng , Wenjie Hu , Zhenhua Dong , Jun Xu , Shengyu Zhu , Xiao-Hua Zhou

Recent neural sequence-to-sequence models with a copy mechanism have achieved remarkable progress in various text generation tasks. These models addressed out-of-vocabulary problems and facilitated the generation of rare words. However, the…

Computation and Language · Computer Science 2021-12-21 Sanghyuk Choi , Jeong-in Hwang , Hyungjong Noh , Yeonsoo Lee

We propose Conditional Idempotent Generative Networks (CIGN), a novel approach that expands upon Idempotent Generative Networks (IGN) to enable conditional generation. While IGNs offer efficient single-pass generation, they lack the ability…

Machine Learning · Computer Science 2024-06-06 Niccolò Ronchetti

Predicting the emergence of multiple chronic conditions (MCC) is crucial for early intervention and personalized healthcare, as MCC significantly impacts patient outcomes and healthcare costs. Graph neural networks (GNNs) are effective…

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