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Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design…

Machine Learning · Computer Science 2019-04-02 Seokho Kang , Kyunghyun Cho

Probabilistic programming has emerged as a powerful paradigm in statistics, applied science, and machine learning: by decoupling modelling from inference, it promises to allow modellers to directly reason about the processes generating…

Machine Learning · Statistics 2019-06-10 Maria I. Gorinova , Dave Moore , Matthew D. Hoffman

We propose a randomized method for solving linear programs with a large number of columns but a relatively small number of constraints. Since enumerating all the columns is usually unrealistic, such linear programs are commonly solved by…

Optimization and Control · Mathematics 2023-11-29 Yi-Chun Akchen , Velibor V. Mišić

Controlled generation refers to the problem of creating text that contains stylistic or semantic attributes of interest. Many approaches reduce this problem to training a predictor of the desired attribute. For example, researchers hoping…

Computation and Language · Computer Science 2023-06-02 Carolina Zheng , Claudia Shi , Keyon Vafa , Amir Feder , David M. Blei

The discrete Wasserstein barycenter problem is a minimum-cost mass transport problem for a set of discrete probability measures. Although an exact barycenter is computable through linear programming, the underlying linear program can be…

Optimization and Control · Mathematics 2022-02-09 Steffen Borgwardt , Stephan Patterson

Machine translation benchmarks sourced from the real world are quickly obsoleted, due to most examples being easy for state-of-the-art translation models. This limits the benchmark's ability to distinguish which model is better or to reveal…

Computation and Language · Computer Science 2025-10-03 Vilém Zouhar , Wenda Xu , Parker Riley , Juraj Juraska , Mara Finkelstein , Markus Freitag , Daniel Deutsch

Generative Modelling has become a promising use case for near term quantum computers. In particular, due to the fundamentally probabilistic nature of quantum mechanics, quantum computers naturally model and learn probability distributions,…

Quantum Physics · Physics 2022-12-29 Ieva Čepaitė , Brian Coyle , Elham Kashefi

Conjunctive queries select and are expected to return certain tuples from a relational database. We study the potentially easier problem of counting all selected tuples, rather than enumerating them. In particular, we are interested in the…

Computational Complexity · Computer Science 2019-04-30 Holger Dell , Marc Roth , Philip Wellnitz

Generative large language models as tools in the legal domain have the potential to improve the justice system. However, the reasoning behavior of current generative models is brittle and poorly understood, hence cannot be responsibly…

Artificial Intelligence · Computer Science 2025-05-06 Cor Steging , Silja Renooij , Bart Verheij

Probabilistic classifiers output a probability distribution on target classes rather than just a class prediction. Besides providing a clear separation of prediction and decision making, the main advantage of probabilistic models is their…

Machine Learning · Computer Science 2019-02-20 Juozas Vaicenavicius , David Widmann , Carl Andersson , Fredrik Lindsten , Jacob Roll , Thomas B. Schön

Social science researchers are generally accustomed to treating ordinal variables as though they are continuous. In this paper, we consider how identification constraints in ordinal factor analysis can mimic the treatment of ordinal…

Methodology · Statistics 2026-01-09 Edgar C. Merkle , Sonja D. Winter , Ellen Fitzsimmons

Streamlining constraints (or streamliners, for short) narrow the search space, enhancing the speed and feasibility of solving complex constraint satisfaction problems. Traditionally, streamliners were crafted manually or generated through…

Software Engineering · Computer Science 2025-11-19 Florentina Voboril , Vaidyanathan Peruvemba Ramaswamy , Stefan Szeider

Quantile-based classifiers can classify high-dimensional observations by minimising a discrepancy of an observation to a class based on suitable quantiles of the within-class distributions, corresponding to a unique percentage for all…

Methodology · Statistics 2024-04-23 Marco Berrettini , Christian Hennig , Cinzia Viroli

Generative models have emerged as powerful priors for solving inverse problems. These models typically represent a class of natural signals using a single fixed complexity or dimensionality. This can be limiting: depending on the problem, a…

Machine Learning · Computer Science 2026-03-11 Sean Gunn , Jorio Cocola , Oliver De Candido , Vaggos Chatziafratis , Paul Hand

There is a growing need for investigating how machine learning models operate. With this work, we aim to understand trained machine learning models by questioning their data preferences. We propose a mathematical framework that allows us to…

Machine Learning · Computer Science 2025-12-22 Eren Mehmet Kıral , Nurşen Aydın , Ş. İlker Birbil

In model-based clustering and classification, the cluster-weighted model constitutes a convenient approach when the random vector of interest constitutes a response variable Y and a set p of explanatory variables X. However, its…

Methodology · Statistics 2013-07-23 Sanjeena Subedi , Antonio Punzo , Salvatore Ingrassia , Paul D. McNicholas

Machine learning models trained on uncurated datasets can often end up adversely affecting inputs belonging to underrepresented groups. To address this issue, we consider the problem of adaptively constructing training sets which allow us…

Machine Learning · Computer Science 2021-07-21 Shubhanshu Shekhar , Greg Fields , Mohammad Ghavamzadeh , Tara Javidi

Model counting is a fundamental problem that consists of determining the number of satisfying assignments for a given Boolean formula. The weighted variant, which computes the weighted sum of satisfying assignments, has extensive…

Discrete Mathematics · Computer Science 2026-05-08 L. Sunil Chandran , Rishikesh Gajjala , Kuldeep S. Meel

Software testing is a critical aspect of software development, yet generating test cases remains a routine task for engineers. This paper presents a benchmark, CLOVER, to evaluate models' capabilities in generating and completing test cases…

Software Engineering · Computer Science 2025-02-14 Jiacheng Xu , Bo Pang , Jin Qu , Hiroaki Hayashi , Caiming Xiong , Yingbo Zhou

To make sense of massive data, we often fit simplified models and then interpret the parameters; for example, we cluster the text embeddings and then interpret the mean parameters of each cluster. However, these parameters are often…

Artificial Intelligence · Computer Science 2025-01-14 Ruiqi Zhong , Heng Wang , Dan Klein , Jacob Steinhardt
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