22 papers · ranked by Valyu relevance
Yasharth Yadav, Ajay Subbaroyan, Olivier C. Martin, Areejit Samal
Boolean networks have been widely used to model gene networks. However, such models are coarse-grained to an extent that they abstract away molecular specificities of gene regulation. Alternatively, bipartite Boolean network models of gene regulation explicitly distinguish genes from transcription factors (TFs). In…
Yasharth Yadav, Ajay Subbaroyan, Olivier C. Martin, Areejit Samal
Boolean network models have widely been used to study the dynamics of gene regulatory networks. However, such models are coarse-grained to an extent that they abstract away molecular specificities of gene regulation. In contrast, bipartite Boolean network models of gene regulation explicitly distinguish genes from…
Fatemeh Behrad, Tinne Tuytelaars, Johan Wagemans
Composition, the deliberate arrangement of visual elements, is central to how meaning, emotion, and aesthetic quality are conveyed in artwork, yet it remains among the least formalized dimensions of visual understanding. Prior work highlights a persistent gap in learning meaningful compositional representations…
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The vastness of chemical space presents a long-standing challenge for the exploration of new compounds with pre-determined properties. In materials science, crystal structure prediction has become a mature tool for mapping from composition to structure based on global optimisation techniques. Generative artificial…
Yuhuai Wu, Honghua Dong, Roger Grosse, Jimmy Ba
In this work, we focus on an analogical reasoning task that contains rich compositional structures, Raven's Progressive Matrices (RPM). To discover compositional structures of the data, we propose the Scattering Compositional Learner (SCL), an architecture that composes neural networks in a sequence. Our SCL achieves…
Peter Fettke, Wolfgang Reisig
Computability theory is traditionally conceived as the the theoretical basis of informatics. Nevertheless, numerous proposals transcend computability theory, in particular by emphasizing interaction of modules, or components, parts, constituents, as a fundamental computing feature. In a technical framework, interaction…
Sanja Fidler, Marko Boben, Aleš Leonardis
—Hierarchies allow feature sharing between objects at multiple levels of representation, can code exponential variability in a very compact way and enable fast inference. This makes them potentially suitable for learning and recognizing a higher number of object classes. However, the success of the hierarchical…
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The ability to generate crystal structures directly from textual descriptions marks a pivotal advancement in materials informatics and underscores the emerging role of large language models (LLMs) in inverse design. In this work, we introduce CrysText, a text-conditioned framework that generates crystal structures in…
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Traditional and non-classical machine learning models for solid-state structure prediction have predominantly relied on compositional features (derived from properties of constituent elements) to predict the existence of structure and its properties. However, the lack of structural information can be a source of…
Eric Schulz, Joshua B. Tenenbaum, David Duvenaud, Maarten Speekenbrink + 1 more
How do people recognize and learn about complex functional structure? Taking inspiration from other areas of cognitive science, we propose that this is achieved by harnessing compositionality: complex structure is decomposed into simpler building blocks. We formalize this idea within the framework of Bayesian…
Bob Diertens
We introduce composition in the function-behaviour-structure framework for design, as described by John Gero, in order to deal with complexity. We do this by connecting the frameworks for the design of several models, in which one is constrained by the others. The result is a framework for the design of an object that…
Jing Zhang, Rémi Synave, Samuel Delepoulle, Rémi Cozot + 1 more
The composition of an image is a critical element chosen by the author to construct an image that conveys a narrative and related emotions. Other key elements include framing, lighting, and colors. Assessing classical and simple composition rules in an image, such as the well-known “rule of thirds”, has proven…
Rodrigo Santa Cruz, Basura Fernando, Anoop Cherian, Stephen Jay Gould
'Stephen Jay Gould'] The world is fundamentally compositional, so it is natural to think of visual recognition as the recognition of basic visually primitives that are composed according to well-defined rules. This strategy allows us to recognize unseen complex concepts from simple visual primitives. However, the…
Johan Unge, Jieye Lin, Sara J Weaver, Ampon Sae Her + 1 more
MicroED is an effective method for analyzing the structural properties of sub-micron crystals, which are frequently found in small-molecule powders. By developing and using an autonomous and high throughput approach to MicroED, we demonstrate the expansion of capabilities and the possibility of performing complete…
Xiaochen Y. Zheng, Mona M. Garvert, Hanneke E. M. den Ouden, Lisa I. Horstman + 2 more
The ability to generalize previously learned knowledge to novel situations is crucial for adaptive behavior, representing a form of cognitive flexibility that is particularly relevant in language. Humans excel at combining linguistic building blocks to infer the meanings of novel compositional words, such as…
Wenbin Yu, Dariusz Szpica, Andrzej Borawski, Grzegorz Mieczkowski
This paper provides a brief review on modeling of composite structures. Composite structures in this paper refer to any structure featuring anisotropy and heterogeneity, including but not limited to their traditional meaning of composite laminates made of unidirectional fiber-reinforced composites. Common methods used…
Authors not listed
Data-driven strategies are reshaping computational materials design by accelerating the prediction of novel compounds with targeted functionalities. Beyond high-throughput screening, the integration of generative artificial intelligence enables exploration across vast chemical spaces comprising millions of known and…
Hyunsoo Park, Anthony Onwuli, Keith T. Butler, Aron Walsh
The combination of elements from the Periodic Table defines a vast chemical space. Only a small fraction of these combinations yield materials that occur naturally or are accessible synthetically. Here, we enumerate binary, ternary, and quaternary element combinations to produce an extensive library of over 10^10…
Heather Bruett, Marc N. Coutanche
Humans can create completely new concepts through semantic composition. These ‘conceptual combinations’ can be created by attributing the features of one concept to another (e.g., a lemon flamingo might be a yellow flamingo), or drawing on a relationship between concepts (e.g., a lemon flamingo might consume lemons).…
Charlie T. McTernan, Jack A. Davies, Jonathan R. Nitschke
Polyhedra Capable of Binding Low-Symmetry, Information-Rich Molecular Cargoes Authors: ['Charlie\nT. McTernan' 'Jack A. Davies' 'Jonathan R. Nitschke'] The field of metallosupramolecular chemistry has advanced rapidly in recent years. Much work in this area has focused on the formation of hollow self-assembled…
Guido Fioretti, Martin Neumann
In this paper we first of all summarize and rationalize current typologies of organizational forms, arranging available classifications in a hierarchy of increasing generality. The ensuing structure parallels the classification of living beings into classes of increasing generality such as species, genus, family…
Peter Ertl, Tim Schuhmann
Natural products (NPs) have evolved over a very long natural selection process to form optimal interactions with biologically relevant macromolecules. NPs are therefore an extremely useful source of inspiration for the design of new drugs. In the present study we report the results of a cheminformatics analysis of a…