Cost Function Networks to Solve Large Computational Protein Design Problems

International audienc

Cost Function Networks to Solve Large Computational Protein Design Problems

International audienc

Maximum Persistency via Iterative Relaxed Inference with Graphical Models

We consider the NP-hard problem of MAP-inference for undirected discrete graphical models. We propose a polynomial time and practically efficient algorithm for finding a part of its optimal solution. Specifically, our algorithm marks some labels of the considered graphical model either as (i) optimal, meaning that they belong to all optimal solutions of the inference problem; (ii) non-optimal if they provably do not belong to any solution. With access to an exact solver of a linear programming relaxation to the MAP-inference problem, our algorithm marks the maximal possible (in a specified sense) number of labels. We also present a version of the algorithm, which has access to a suboptimal dual solver only and still can ensure the (non-)optimality for the marked labels, although the overall number of the marked labels may decrease. We propose an efficient implementation, which runs in time comparable to a single run of a suboptimal dual solver. Our method is well-scalable and shows state-of-the-art results on computational benchmarks from machine learning and computer vision.Comment: Reworked version, submitted to PAM

WCSP Integration of Soft Neighborhood Substitutability

WCSP is an optimization problem for which many forms of soft local (arc) consistencies have been proposed such as, for example, existential directional arc consistency (EDAC) and virtual arc consistency (VAC). In this paper, we adopt a different perspective by revisiting the well-known property of (soft) substitutability. First, we provide a clear picture of the relationships existing between soft neighborhood substitutability (SNS) and a tractable property called pcost which allows us to compare the cost of two values (through the use of so-called cost pairs). We prove that under certain assumptions, pcost is equivalent to SNS but weaker than SNS in the general case since we show that SNS is coNP-hard. We also show that SNS preserves the property VAC but not the property EDAC. Finally, we introduce an algorithm to enforce pcost that benefits from several optimizations (early breaks, residues, timestamping). The practical interest of maintaining pcost together with AC*, FDAC or EDAC, during search. is shown on various series of WCSP instances

ICTERI 2020: ІКТ в освіті, дослідженнях та промислових застосуваннях. Інтеграція, гармонізація та передача знань 2020: Матеріали 16-ї Міжнародної конференції. Том II: Семінари. Харків, Україна, 06-10 жовтня 2020 р.

This volume represents the proceedings of the Workshops co-located with the 16th International Conference on ICT in Education, Research, and Industrial Applications, held in Kharkiv, Ukraine, in October 2020. It comprises 101 contributed papers that were carefully peer-reviewed and selected from 233 submissions for the five workshops: RMSEBT, TheRMIT, ITER, 3L-Person, CoSinE, MROL. The volume is structured in six parts, each presenting the contributions for a particular workshop. The topical scope of the volume is aligned with the thematic tracks of ICTERI 2020: (I) Advances in ICT Research; (II) Information Systems: Technology and Applications; (III) Academia/Industry ICT Cooperation; and (IV) ICT in Education.Цей збірник представляє матеріали семінарів, які були проведені в рамках 16-ї Міжнародної конференції з ІКТ в освіті, наукових дослідженнях та промислових застосуваннях, що відбулася в Харкові, Україна, у жовтні 2020 року. Він містить 101 доповідь, які були ретельно рецензовані та відібрані з 233 заявок на участь у п'яти воркшопах: RMSEBT, TheRMIT, ITER, 3L-Person, CoSinE, MROL. Збірник складається з шести частин, кожна з яких представляє матеріали для певного семінару. Тематична спрямованість збірника узгоджена з тематичними напрямками ICTERI 2020: (I) Досягнення в галузі досліджень ІКТ; (II) Інформаційні системи: Технології і застосування; (ІІІ) Співпраця в галузі ІКТ між академічними і промисловими колами; і (IV) ІКТ в освіті