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Bayesian method is capable of capturing real world uncertainties/incompleteness and properly addressing the over-fitting issue faced by deep neural networks. In recent years, Bayesian Neural Networks (BNNs) have drawn tremendous attentions…

Machine Learning · Computer Science 2020-05-11 Xiaotao Jia , Jianlei Yang , Runze Liu , Xueyan Wang , Sorin Dan Cotofana , Weisheng Zhao

Virtual screening of large compound libraries to identify potential hit candidates is one of the earliest steps in drug discovery. As the size of commercially available compound collections grows exponentially to the scale of billions,…

Machine Learning · Computer Science 2023-09-22 Zhonglin Cao , Simone Sciabola , Ye Wang

Since the turn of the century, approximate Bayesian inference has steadily evolved as new computational techniques have been incorporated to handle increasingly complex and large-scale predictive problems. The recent success of deep neural…

Machine Learning · Statistics 2026-01-14 Roy Shivam Ram Shreshtth , Arnab Hazra , Gourab Mukherjee

Modern learning systems increasingly rely on amortized learning - the idea of reusing computation or inductive biases shared across tasks to enable rapid generalization to novel problems. This principle spans a range of approaches,…

Machine Learning · Computer Science 2025-10-14 Sarthak Mittal , Divyat Mahajan , Guillaume Lajoie , Mohammad Pezeshki

Multi-objective Bayesian optimization aims to find the Pareto front of trade-offs between a set of expensive objectives while collecting as few samples as possible. In some cases, it is possible to evaluate the objectives separately, and a…

Machine Learning · Statistics 2025-03-04 Jack M. Buckingham , Sebastian Rojas Gonzalez , Juergen Branke

We develop a first line of attack for solving programming competition-style problems from input-output examples using deep learning. The approach is to train a neural network to predict properties of the program that generated the outputs…

Machine Learning · Computer Science 2017-03-09 Matej Balog , Alexander L. Gaunt , Marc Brockschmidt , Sebastian Nowozin , Daniel Tarlow

In many sequence learning tasks, such as program synthesis and document summarization, a key problem is searching over a large space of possible output sequences. We propose to learn representations of the outputs that are specifically…

Machine Learning · Computer Science 2021-08-09 Joey Hong , David Dohan , Rishabh Singh , Charles Sutton , Manzil Zaheer

We study the problem of learning differentiable functions expressed as programs in a domain-specific language. Such programmatic models can offer benefits such as composability and interpretability; however, learning them requires…

Machine Learning · Computer Science 2021-03-30 Ameesh Shah , Eric Zhan , Jennifer J. Sun , Abhinav Verma , Yisong Yue , Swarat Chaudhuri

We introduce the higher-order refactoring problem, where the goal is to compress a logic program by discovering higher-order abstractions, such as map, filter, and fold. We implement our approach in Stevie, which formulates the refactoring…

Machine Learning · Computer Science 2024-01-30 Céline Hocquette , Sebastijan Dumančić , Andrew Cropper

We address the problem of Bayesian reinforcement learning using efficient model-based online planning. We propose an optimism-free Bayes-adaptive algorithm to induce deeper and sparser exploration with a theoretical bound on its performance…

Machine Learning · Computer Science 2020-06-30 Divya Grover , Debabrota Basu , Christos Dimitrakakis

We propose a novel neural architecture search algorithm via reinforcement learning by decoupling structure and operation search processes. Our approach samples candidate models from the multinomial distribution on the policy vectors defined…

Machine Learning · Computer Science 2020-04-28 Heung-Chang Lee , Do-Guk Kim , Bohyung Han

Probabilistic programming languages (PPLs) are a powerful modeling tool, able to represent any computable probability distribution. Unfortunately, probabilistic program inference is often intractable, and existing PPLs mostly rely on…

Artificial Intelligence · Computer Science 2016-10-19 Daniel Ritchie , Paul Horsfall , Noah D. Goodman

Code summarization provides a high level natural language description of the function performed by code, as it can benefit the software maintenance, code categorization and retrieval. To the best of our knowledge, most state-of-the-art…

Software Engineering · Computer Science 2018-11-20 Yao Wan , Zhou Zhao , Min Yang , Guandong Xu , Haochao Ying , Jian Wu , Philip S. Yu

We are developing a general framework for using learned Bayesian models for decision-theoretic control of search and reasoningalgorithms. We illustrate the approach on the specific task of controlling both general and domain-specific…

Artificial Intelligence · Computer Science 2013-01-14 Eric J. Horvitz , Yongshao Ruan , Carla P. Gomes , Henry Kautz , Bart Selman , David Maxwell Chickering

Learning the kernel parameters for Gaussian processes is often the computational bottleneck in applications such as online learning, Bayesian optimization, or active learning. Amortizing parameter inference over different datasets is a…

Machine Learning · Computer Science 2023-06-19 Matthias Bitzer , Mona Meister , Christoph Zimmer

Learning neural program embeddings is key to utilizing deep neural networks in program languages research --- precise and efficient program representations enable the application of deep models to a wide range of program analysis tasks.…

Software Engineering · Computer Science 2019-07-12 Ke Wang , Zhendong Su

Dictionary learning methods continue to gain popularity for the solution of challenging inverse problems. In the dictionary learning approach, the computational forward model is replaced by a large dictionary of possible outcomes, and the…

Machine Learning · Statistics 2023-09-06 Alberto Bocchinfuso , Daniela Calvetti , Erkki Somersalo

Search is a key service within constraint programming systems, and it demands the restoration of previously accessed states during the exploration of a search tree. Restoration proceeds either bottom-up within the tree to roll back…

Programming Languages · Computer Science 2016-02-05 Yong Lin , Martin Henz

Dictionary learning aims at seeking a dictionary under which the training data can be sparsely represented. Methods in the literature typically formulate the dictionary learning problem as an optimization w.r.t. two variables, i.e.,…

Signal Processing · Electrical Eng. & Systems 2021-10-27 Cheng Cheng , Wei Dai

There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex…

Machine Learning · Statistics 2021-09-20 Luca Ambrogioni