Related papers: Constructing an olfactory perceptual space and pre…

The validity of the dissipative quantum model of olfaction has not been examined yet and therefore the model suffers from the lack of experimental support. Here, we generalize the model and propose a numerical analysis of the dissipative…

Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and comparison of their energies. Already the set-up of these calculations limits the scope of the results that one will obtain, because…

The human brain encodes stimuli from the environment into representations that form a sensory perception of the world. Despite recent advances in understanding visual and auditory perception, olfactory perception remains an under-explored…

Recent experimental and theoretical work on neural populations belonging to two separate early sensory systems, olfaction and vision, has challenged the notion that the two operate under different computational paradigms by providing…

To discover new drugs is to seek and to prove causality. As an emerging approach leveraging human knowledge and creativity, data, and machine intelligence, causal inference holds the promise of reducing cognitive bias and improving decision…

To facilitate the design and optimization of nanomaterials for a given application it is necessary to understand the relationship between structure and physical properties. For large nanomaterials, there is imprecise structural information…

Software systems naturally evolve, and this evolution often brings design problems that cause system degradation. Architectural smells are typical symptoms of such problems, and several of these smells are related to undesired dependencies…

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

The design of molecules and materials with tailored properties is challenging, as candidate molecules must satisfy multiple competing requirements that are often difficult to measure or compute. While molecular structures, produced through…

One of the molecular properties most intuitive to the human perception is the geometrical shape. However, when exploring a large chemical space the determination of shape needs to be automated. We present a fast and simple approach to…

Predicting odor's pleasantness simplifies the evaluation of odors and has the potential to be applied in perfumes and environmental monitoring industry. Classical algorithms for predicting odor's pleasantness generally use a manual feature…

Digital sensing faces challenges in developing sustainable methods to extend the applicability of customized e-noses to complex body odor volatilome (BOV). To address this challenge, we developed MORE-ML, a computational framework that…

Perception occurs when individuals interpret the same information differently. It is a known cognitive phenomenon with implications for bias in human decision-making. Perception, however, remains understudied in machine learning (ML). This…

Probabilistic generative deep learning for molecular design involves the discovery and design of new molecules and analysis of their structure, properties and activities by probabilistic generative models using the deep learning approach.…

Odor visualization translates odor information and perception into visual outcomes and arouses the corresponding olfactory synesthesia, surpassing the spatial limitation that odors can only be perceived where they are present. Traditional…

Structure determination is essential to a mechanistic understanding of diseases and the development of novel therapeutics. Machine-learning-based structure prediction methods have made significant advancements by computationally predicting…

Words can have multiple senses. Compositional distributional models of meaning have been argued to deal well with finer shades of meaning variation known as polysemy, but are not so well equipped to handle word senses that are…

When we speak, write or listen, we continuously make predictions based on our knowledge of a language's grammar. Remarkably, children acquire this grammatical knowledge within just a few years, enabling them to understand and generalise to…

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

The perceptual experience of architecture is enacted by the sensory and motor system. When we act, we change the perceived environment according to a set of expectations that depend on our body and the built environment. The continuous…