RH Logo
Hubs
About
Live
Leaderboard

My Hubs
All
ResearchHub Feeds
My Hubs
All

Trending Users

Author Profile Avatar
Chukwuma Chidera
Author Profile Avatar
Nicolás Dazeo
Author Profile Avatar
ayotune adebayo
Author Profile Avatar
Patrick Joyce
Author Profile Avatar
Titus Osikhiana Ogahbrai
Author Profile Avatar
Chen Wang
Author Profile Avatar
Francisco Akwaeze
Author Profile Avatar
Mauz Hussain
Author Profile Avatar
Vitaly Zv.
Author Profile Avatar
xue pan

Trending Papers in Bioinformatics

Trending
Today
Trending
Today

Sign in to discover all of the research papers you care about, live as they're published.

50
Published: Apr 14, 2021
Authors: L. Abbott, SueYeon Chung, L. Abbott
Published: Apr 14, 2021
Authors: L. Abbott, SueYeon Chung, L. Abbott
Advances in experimental neuroscience have transformed our ability to explore the structure and function of neural circuits. At the same time, advances in machine learning have unleashed the remarkable computational power of artificial neural networks (ANNs). While these two fields have different tools and applications, they present a similar challenge: namely, understanding how information is embedded and processed through high-dimensional representations to solve complex tasks. One approach to addressing this challenge is to utilize mathematical and computational tools to analyze the geometry of these high-dimensional representations, i.e., neural population geometry. We review examples of geometrical approaches providing insight into the function of biological and artificial neural networks: representation untangling in perception, a geometric theory of classification capacity, disentanglement and abstraction in cognitive systems, topological representations underlying cognitive maps, dynamic untangling in motor systems, and a dynamical approach to cognition. Together, these findings illustrate an exciting trend at the intersection of machine learning, neuroscience, and geometry, in which neural population geometry provides a useful population-level mechanistic descriptor underlying task implementation. Importantly, geometric descriptions are applicable across sensory modalities, brain regions, network architectures and timescales. Thus, neural population geometry has the potential to unify our understanding of structure and function in biological and artificial neural networks, bridging the gap between single neurons, populations and behavior.
Slide 1 of 1
  • Paper Preview Page 1
4
Published: Apr 17, 2021
Authors: Luhua Lai, Yibo Li, Jianfeng Pei, Luhua Lai
Published: Apr 17, 2021
Authors: Luhua Lai, Yibo Li, Jianfeng Pei, Luhua Lai
Recently, deep generative models for molecular graphs are gaining more and more attention in the field of de novo drug design. A variety of models have been developed to generate topological structures of drug-like molecules, but explorations in generating three-dimensional structures are still limited. Existing methods have either focused on low molecular weight compounds without considering drug-likeness or generate 3D structures indirectly using atom density maps. In this work, we introduce Ligand Neural Network (L-Net), a novel graph generative model for designing drug-like molecules with high-quality 3D structures. L-Net directly outputs the topological and 3D structure of molecules (including hydrogen atoms), without the need for additional atom placement or bond order inference algorithm. The architecture of L-Net is specifically optimized for drug-like molecules, and a set of metrics is assembled to comprehensively evaluate its performance. The results show that L-Net is capable of generating chemically correct, conformationally valid, and highly druglike molecules. Finally, to demonstrate its potential in structure-based molecular design, we combine L-Net with MCTS and test its ability to generate potential inhibitors targeting ABL1 kinase.
Slide 1 of 1
  • Paper Preview Page 1
4
Published: Apr 14, 2021
Authors: Pomati, F., et al
Published: Apr 14, 2021
Authors: Pomati, F., et al
We present an approach for automated in-situ monitoring of phytoplankton and zooplankton communities based on a dual magnification dark-field imaging microscope/camera. We describe the Dual Scripps Plankton Camera (DSPC) system and associated image processing, and assess its capabilities in detecting and characterizing plankton species of different size and taxonomic categories, and in measuring their abundances in both laboratory and field applications. In the laboratory, body size and abundance estimates by the DSPC significantly and robustly scale with the same measurements derived by traditional microscopy. In the field, a DSPC installed permanently at 3 m depth in Lake Greifensee (Switzerland), delivered images of plankton individuals, colonies, and heterospecific aggregates without disrupting natural arrangements of interacting organisms, their microenvironment or their behavior at hourly timescales. The DSPC was able to track the dynamics of taxa in the size range between ~10 $\mu$m to ~ 1 cm, covering virtually all the components of the planktonic food web (including parasites and potentially toxic cyanobacteria). Comparing data from the field-deployed DSPC to traditional sampling and microscopy revealed a general overall agreement in estimates of plankton diversity and abundances, despite imaging limitations in detecting small phytoplankton species and rare and large zooplankton taxa (e.g. carnivorous zooplankton). The most significant disagreements between traditional methods and the DSPC resided in the measurements of community properties of zooplankton, organisms that are heterogeneously distributed spatially and temporally, and whose demography appeared to be better captured by automated imaging. Time series collected by the DSPC depicted ecological succession patterns, algal bloom dynamics and circadian fluctuations with a temporal frequency and morphological [continues...]
Slide 1 of 1
  • Paper Preview Page 1
3
Published: Apr 19, 2021
Authors: Petre, Ion, et al
Published: Apr 19, 2021
Authors: Petre, Ion, et al
We discuss in this survey several network modeling methods and their applicability to precision medicine. We review several network centrality methods (degree centrality, closeness centrality, eccentricity centrality, betweenness centrality, and eigenvector-based prestige) and two systems controllability methods (minimum dominating sets and network structural controllability). We demonstrate their applicability to precision medicine on three multiple myeloma patient disease networks. Each network consists of protein-protein interactions built around a specific patient's mutated genes, around the targets of the drugs used in the standard of care in multiple myeloma, and around multiple myeloma-specific essential genes. For each network we demonstrate how the network methods we discuss can be used to identify personalized, targeted drug combinations uniquely suited to that patient.
Slide 1 of 1
  • Paper Preview Page 1
2
Published: Apr 16, 2021
Authors: Nils Strodthoff, Johanna Vielhaben, Markus Wenzel, Eva Weicken, Nils Strodthoff
Published: Apr 16, 2021
Authors: Nils Strodthoff, Johanna Vielhaben, Markus Wenzel, Eva Weicken, Nils Strodthoff
Predicting the binding of viral peptides to the major histocompatibility complex with machine learning can potentially extend the computational immunology toolkit for vaccine development, and serve as a key component in the fight against a pandemic. In this work, we adapt and extend USMPep, a recently proposed, conceptually simple prediction algorithm based on recurrent neural networks. Most notably, we combine regressors (binding affinity data) and classifiers (mass spectrometry data) from qualitatively different data sources to obtain a more comprehensive prediction tool. We evaluate the performance on a recently released SARS-CoV-2 dataset with binding stability measurements. USMPep not only sets new benchmarks on selected single alleles, but consistently turns out to be among the best-performing methods or, for some metrics, to be even the overall best-performing method for this task.
Slide 1 of 1
  • Paper Preview Page 1
2
Published: Apr 14, 2021
Authors: Li, Guang, et al
Published: Apr 14, 2021
Authors: Li, Guang, et al
The origins of herbal medicines are important for their treatment effect, which could be potentially distinguished by electronic nose system. As the odor fingerprint of herbal medicines from different origins can be tiny, the discrimination of origins can be much harder than that of different categories. Better feature extraction methods are significant for this task to be more accurately done, but there lacks systematic studies on different feature extraction methods. In this study, we classified different origins of three categories of herbal medicines with different feature extraction methods: manual feature extraction, mathematical transformation, deep learning algorithms. With 50 repetitive experiments with bootstrapping, we compared the effectiveness of the extractions with a two-layer neural network w/o dimensionality reduction methods (principal component analysis, linear discriminant analysis) as the three base classifiers. Compared with the conventional aggregated features, the Fast Fourier Transform method and our novel approach (longitudinal-information-in-a-line) showed an significant accuracy improvement(p < 0.05) on all 3 base classifiers and all three herbal medicine categories. Two of the deep learning algorithm we applied also showed partially significant improvement: one-dimensional convolution neural network(1D-CNN) and a novel graph pooling based framework - multivariate time pooling(MTPool).
Slide 1 of 1
  • Paper Preview Page 1
2
Published: Apr 9, 2021
Authors: Sauro, Herbert, et al
Published: Apr 9, 2021
Authors: Sauro, Herbert, et al
Although reproducibility is a core tenet of the scientific method, it remains challenging to reproduce many results. Surprisingly, this also holds true for computational results in domains such as systems biology where there have been extensive standardization efforts. For example, Tiwari et al. recently found that they could only repeat 50% of published simulation results in systems biology. Toward improving the reproducibility of computational systems research, we identified several resources that investigators can leverage to make their research more accessible, executable, and comprehensible by others. In particular, we identified several domain standards and curation services, as well as powerful approaches pioneered by the software engineering industry that we believe many investigators could adopt. Together, we believe these approaches could substantially enhance the reproducibility of systems biology research. In turn, we believe enhanced reproducibility would accelerate the development of more sophisticated models that could inform precision medicine and synthetic biology.
Slide 1 of 1
  • Paper Preview Page 1
2
Published: Apr 9, 2021
Authors: Kidmose, Preben, et al
Published: Apr 9, 2021
Authors: Kidmose, Preben, et al
Modern sleep monitoring development is shifting towards the use of unobtrusive sensors combined with algorithms for automatic sleep scoring. Many different combinations of wet and dry electrodes, ear-centered, forehead-mounted or headband-inspired designs have been proposed, alongside an ever growing variety of machine learning algorithms for automatic sleep scoring. In this paper, we compare 13 different, realistic sensor setups derived from the same data set and analysed with the same pipeline. We find that all setups which include both a lateral and an EOG derivation show similar, state-of-the-art performance, with average Cohen's kappa values of at least 0.80. This indicates that electrode distance, rather than position, is important for accurate sleep scoring. Finally, based on the results presented, we argue that with the current competitive performance of automated staging approaches, there is an urgent need for establishing an improved benchmark beyond current single human rater scoring.
Slide 1 of 1
  • Paper Preview Page 1
5
Published: Apr 7, 2021
Authors: Nicholas Guttenberg, Nicholas Guttenberg
Published: Apr 7, 2021
Authors: Nicholas Guttenberg, Nicholas Guttenberg
In this paper, we wish to investigate the dynamics of information transfer in evolutionary dynamics. We use information theoretic tools to track how much information an evolving population has obtained and managed to retain about different environments that it is exposed to. By understanding the dynamics of information gain and loss in a static environment, we predict how that same evolutionary system would behave when the environment is fluctuating. Specifically, we anticipate a cross-over between the regime in which fluctuations improve the ability of the evolutionary system to capture environmental information and the regime in which the fluctuations inhibit it, governed by a cross-over in the timescales of information gain and decay.
Slide 1 of 1
  • Paper Preview Page 1
2
Published: Apr 19, 2021
Authors: Camarillo, David, et al
Published: Apr 19, 2021
Authors: Camarillo, David, et al
Traumatic brain injury can be caused by head impacts, but many brain injury risk estimation models are less accurate across the variety of impacts that patients may undergo. In this study, we investigated the spectral characteristics of different head impact types with kinematics classification. Data was analyzed from 3262 head impacts from head model simulations, on-field data from American football and mixed martial arts (MMA) using our instrumented mouthguard, and publicly available car crash data. A random forest classifier with spectral densities of linear acceleration and angular velocity was built to classify different types of head impacts (e.g., football, MMA), reaching a median accuracy of 96% over 1000 random partitions of training and test sets. Furthermore, to test the classifier on data from different measurement devices, another 271 lab-reconstructed impacts were obtained from 5 other instrumented mouthguards with the classifier reaching over 96% accuracy from these devices. The most important features in classification included both low-frequency and high-frequency features, both linear acceleration features and angular velocity features. It was found that different head impact types had different distributions of spectral densities in low-frequency and high-frequency ranges (e.g., the spectral densities of MMA impacts were higher in high-frequency range than in the low-frequency range). Finally, with head impact classification, type-specific, nearest-neighbor regression models were built for 95th percentile maximum principal strain, 95th percentile maximum principal strain in corpus callosum, and cumulative strain damage (15th percentile). This showed a generally higher R^2-value than baseline models without classification.
Slide 1 of 1
  • Paper Preview Page 1
Load More Papers