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The current catalyst discovery and development pipeline for energy-intensive applications like methane conversion remains bottlenecked by expensive trial-and-error experimentation, irreproducible chemical intuition, and a lack of frameworks…

Chemical Physics · Physics 2026-05-12 Oyinkansola Romiluyi

The use of Shap scores has become widespread in Explainable AI. However, their computation is in general intractable, in particular when done with a black-box classifier, such as neural network. Recent research has unveiled classes of…

Artificial Intelligence · Computer Science 2023-07-25 Leopoldo Bertossi , Jorge E. Leon

We consider the problem of sampling from a product-of-experts-type model that encompasses many standard prior and posterior distributions commonly found in Bayesian imaging. We show that this model can be easily lifted into a novel latent…

Image and Video Processing · Electrical Eng. & Systems 2026-04-16 Muhamed Kuric , Martin Zach , Andreas Habring , Michael Unser , Thomas Pock

In this paper, we present ASPEN, an answer set programming (ASP) implementation of a recently proposed declarative framework for collective entity resolution (ER). While an ASP encoding had been previously suggested, several practical…

CiaoPP is an analyzer and optimizer for logic programs, part of the Ciao Prolog system. It includes PLAI, a fixpoint algorithm for the abstract interpretation of logic programs which we adapt to use tabled constraint logic programming. In…

Programming Languages · Computer Science 2019-08-02 Joaquin Arias , Manuel Carro

A caveat to many applications of the current Deep Learning approach is the need for large-scale data. One improvement suggested by Kolmogorov Complexity results is to apply the minimum description length principle with computationally…

Machine Learning · Computer Science 2022-08-25 Brieuc Pinon , Raphaël Jungers , Jean-Charles Delvenne

In this paper, we present the Inter-Battery Topic Model (IBTM). Our approach extends traditional topic models by learning a factorized latent variable representation. The structured representation leads to a model that marries benefits…

Machine Learning · Computer Science 2016-07-29 Cheng Zhang , Hedvig Kjellstrom , Carl Henrik Ek

BosonSampling is the leading candidate for demonstrating quantum computational advantage in photonic systems. While we have recently seen many impressive experimental demonstrations, there is still a formidable distance between the…

In this growing age of data and technology, large black-box models are becoming the norm due to their ability to handle vast amounts of data and learn incredibly complex input-output relationships. The deficiency of these methods, however,…

Machine Learning · Computer Science 2025-10-13 Justin Lin , Julia Fukuyama

There is general consensus that learning representations is useful for a variety of reasons, e.g. efficient use of labeled data (semi-supervised learning), transfer learning and understanding hidden structure of data. Popular techniques for…

Machine Learning · Computer Science 2017-06-15 Sanjeev Arora , Andrej Risteski

Answer Set Programming (ASP) is an increasingly popular framework for declarative programming that admits the description of problems by means of rules and constraints that form a disjunctive logic program. In particular, many AI problems…

Computational Complexity · Computer Science 2014-03-07 Johannes Klaus Fichte , Stefan Szeider

For many-particle systems defined on lattices we investigate the global structure of effective Hamiltonians and observables obtained by means of a suitable basis transformation. We study transformations which lead to effective Hamiltonians…

Strongly Correlated Electrons · Physics 2009-11-10 Christian Knetter , Kai P. Schmidt , Goetz S. Uhrig

Categories and categorical structures are increasingly recognized as useful abstractions for modeling in science and engineering. To uniformly implement category-theoretic mathematical models in software, we introduce GATlab, a…

Logic in Computer Science · Computer Science 2024-12-18 Owen Lynch , Kris Brown , James Fairbanks , Evan Patterson

We exhibit a sound and complete implicit-complexity formalism for functions feasibly computable by structural recursions over inductively defined data structures. Feasibly computable here means that the structural-recursive definition runs…

Computational Complexity · Computer Science 2022-05-23 Norman Danner , James S. Royer

Reactive computer systems bear inherent complexity due to continuous interactions with their environment. While this environment often proves to be uncontrollable, we still want to ensure that critical computer systems will not fail, no…

Computer Science and Game Theory · Computer Science 2012-10-19 Mickael Randour

Stakeholders' expectations and technology constantly evolve during the lengthy development cycles of a large-scale computer based system. Consequently, the traditional approach of baselining requirements results in an unsatisfactory system…

Software Engineering · Computer Science 2016-11-18 Ramya Ravichandar , James D. Arthur , Robert P. Broadwater

Causal abstraction provides a theoretical foundation for mechanistic interpretability, the field concerned with providing intelligible algorithms that are faithful simplifications of the known, but opaque low-level details of black box AI…

Two contrasting algorithmic paradigms for constraint satisfaction problems are successive local explorations of neighboring configurations versus producing new configurations using global information about the problem (e.g. approximating…

Quantum Physics · Physics 2022-12-09 S. Andrew Lanham

The saturation-based reasoning methods are among the most theoretically developed ones and are used by most of the state-of-the-art first-order logic reasoners. In the last decade there was a sharp increase in performance of such systems,…

Artificial Intelligence · Computer Science 2008-02-18 Alexandre Riazanov

This paper describes a general-purpose extension of max-value entropy search, a popular approach for Bayesian Optimisation (BO). A novel approximation is proposed for the information gain -- an information-theoretic quantity central to…

Machine Learning · Computer Science 2021-10-27 Henry B. Moss , David S. Leslie , Javier Gonzalez , Paul Rayson