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The task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science. However, its effectiveness is constrained by the vast and uncertain chemical reaction space and challenges in capturing…

Machine Learning · Computer Science 2024-04-16 Pengfei Liu , Jun Tao , Zhixiang Ren

Due to the availability of increasingly large amounts of visual data, there is a growing need for tools that can help users find relevant images. While existing tools can perform image retrieval based on similarity or metadata, they fall…

Human-Computer Interaction · Computer Science 2024-01-22 Celeste Barnaby , Qiaochu Chen , Chenglong Wang , Isil Dillig

We present MIPS, a novel method for program synthesis based on automated mechanistic interpretability of neural networks trained to perform the desired task, auto-distilling the learned algorithm into Python code. We test MIPS on a…

Data scientists often need to write programs to process predictions of machine learning models, such as object detections and trajectories in video data. However, writing such queries can be challenging due to the fuzzy nature of real-world…

Programming Languages · Computer Science 2026-02-18 Stephen Mell , Favyen Bastani , Steve Zdancewic , Osbert Bastani

We present a novel system that automatically extracts and generates informative and descriptive sentences from the biomedical corpus and facilitates the efficient search for relational knowledge. Unlike previous search engines or…

Computation and Language · Computer Science 2023-10-19 Kerui Zhu , Jie Huang , Kevin Chen-Chuan Chang

Kaemika is an app available on the four major app stores. It provides deterministic and stochastic simulation, supporting natural chemical notation enhanced with recursive and conditional generation of chemical reaction networks. It has a…

Computational Engineering, Finance, and Science · Computer Science 2020-05-19 Luca Cardelli

Synthetic lethal reaction/gene-sets are sets of reactions/genes where only the simultaneous removal of all reactions/genes in the set abolishes growth of an organism. In silico, synthetic lethal sets can be identified by simulating the…

Molecular Networks · Quantitative Biology 2015-07-02 Aditya Pratapa , Shankar Balachandran , Karthik Raman

Training LLMs to invoke tools and leverage retrieved information necessitates high-quality, diverse data. However, existing pipelines for synthetic data generation often rely on tens of thousands of real API calls to enhance generalization,…

Artificial Intelligence · Computer Science 2025-12-19 Hao Chen , Zhexin Hu , Jiajun Chai , Haocheng Yang , Hang He , Xiaohan Wang , Wei Lin , Luhang Wang , Guojun Yin , Zhuofeng zhao

RNA sequencing techniques, like bulk RNA-seq and Single Cell (sc) RNA-seq, are critical tools for the biologist looking to analyze the genetic activity/transcriptome of a tissue or cell during an experimental procedure. Platforms like…

Genomics · Quantitative Biology 2024-07-08 Devam Mondal , Atharva Inamdar

As a powerful tool of asynchronous event sequence analysis, point processes have been studied for a long time and achieved numerous successes in different fields. Among various point process models, Hawkes process and its variants attract…

Machine Learning · Statistics 2017-08-31 Hongteng Xu , Hongyuan Zha

Recent advances in text-to-SQL systems have been driven by larger models and improved datasets, yet progress is still limited by the scarcity of high-quality training data. Manual data creation is expensive, and existing synthetic methods…

Machine Learning · Computer Science 2026-01-12 Marko Sterbentz , Kevin Cushing , Cameron Barrie , Kristian J. Hammond

Unlocking the full potential of Knowledge Graphs (KGs) to enable or enhance various semantic and other applications requires Data Management Systems (DMSs) to efficiently store and process the content of KGs. However, the increases in the…

Databases · Computer Science 2022-09-13 Masoud Salehpour , Joseph G. Davis

Synthetic data is a standard component in training large language models, yet systematic comparisons across design dimensions, including rephrasing strategy, generator model, and source data, remain absent. We conduct extensive controlled…

Concept-based (CB) models provide interpretability and support test-time human intervention, while standard neural networks (NN) offer strong task performance but little transparency. Prior work has explored hybrid formulations that…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Tores Julie , Sun Rémy , Sassatelli Lucile , Ancarani Elisa , Wu Hui-Yin , Precioso Frédéric

Reactive synthesis is a technology for the automatic construction of reactive systems from logical specifications. In these lecture notes, we study different algorithms for the reactive synthesis problem of linear-time temporal logic (LTL).…

Logic in Computer Science · Computer Science 2018-03-28 Bernd Finkbeiner , Felix Klein

In the rapidly evolving era of Artificial Intelligence (AI), synthetic data are widely used to accelerate innovation while preserving privacy and enabling broader data accessibility. However, the evaluation of synthetic data remains…

Large language models can perform various reasoning tasks by using chain-of-thought prompting, which guides them to find answers through step-by-step demonstrations. However, the quality of the prompts depends on the demonstrations given to…

Computation and Language · Computer Science 2023-02-02 Zhihong Shao , Yeyun Gong , Yelong Shen , Minlie Huang , Nan Duan , Weizhu Chen

Synthesis is a particularly challenging problem for concurrent programs. At the same time it is a very promising approach, since concurrent programs are difficult to get right, or to analyze with traditional verification techniques. This…

Formal Languages and Automata Theory · Computer Science 2015-06-09 Anca Muscholl

Retrieval-augmented generation is increasingly effective in answering scientific questions from literature, but many state-of-the-art systems are expensive and closed-source. We introduce Ai2 Scholar QA, a free online scientific question…

The volume of scientific publications in organizational research becomes exceedingly overwhelming for human researchers who seek to timely extract and review knowledge. This paper introduces natural language processing (NLP) models to…

Information Retrieval · Computer Science 2021-12-14 Victor Zitian Chen , Felipe Montano-Campos , Wlodek Zadrozny , Evan Canfield
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