Multi-membrane search algorithm.
Ontology highlight
ABSTRACT:
SUBMITTER: Song Q
PROVIDER: S-EPMC8648127 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:BackgroundMulti-target therapeutics has been shown to be effective for treating complex diseases, and currently, it is a common practice to combine multiple drugs to treat such diseases to optimize the therapeutic outcomes. However, considering the huge number of possible ways to mix multiple drugs at different concentrations, it is practically difficult to identify the optimal drug combination through exhaustive testing.ResultsIn this paper, we propose a novel stochastic search algorithm, called the adaptive reference update (ARU) algorithm, that can provide an efficient and systematic way for optimizing multi-drug cocktails. The ARU algorithm iteratively updates the drug combination to improve its response, where the update is made by comparing the response of the current combination with that of a reference combination, based on which the beneficial update direction is predicted. The reference combination is continuously updated based on the drug response values observed in the past, thereby adapting to the underlying drug response function. To demonstrate the effectiveness of the proposed algorithm, we evaluated its performance based on various multi-dimensional drug functions and compared it with existing algorithms.ConclusionsSimulation results show that the ARU algorithm significantly outperforms existing stochastic search algorithms, including the Gur Game algorithm. In fact, the ARU algorithm can more effectively identify potent drug combinations and it typically spends fewer iterations for finding effective combinations. Furthermore, the ARU algorithm is robust to random fluctuations and noise in the measured drug response, which makes the algorithm well-suited for practical drug optimization applications.
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Project description:BackgroundIntrinsically disordered regions (IDRs) are widely distributed in proteins and related to many important biological functions. Accurately identifying IDRs is of great significance for protein structure and function analysis. Because the long disordered regions (LDRs) and short disordered regions (SDRs) share different characteristics, the existing predictors fail to achieve better and more stable performance on datasets with different ratios between LDRs and SDRs. There are two main reasons. First, the existing predictors construct network structures based on their own experiences such as convolutional neural network (CNN) which is used to extract the feature of neighboring residues in protein, and long short-term memory (LSTM) is used to extract the long-distance dependencies feature of protein residues. But these networks cannot capture the hidden feature associated with the length-dependent between residues. Second, many algorithms based on deep learning have been proposed but the complementarity of the existing predictors is not fully explored and used.ResultsIn this study, the neural architecture search (NAS) algorithm was employed to automatically construct the network structures so as to capture the hidden features in protein sequences. In order to stably predict both the LDRs and SDRs, the model constructed by NAS was combined with length-dependent models for capturing the unique features of SDRs or LDRs and general models for capturing the common features between LDRs and SDRs. A new predictor called IDP-Fusion was proposed.ConclusionsExperimental results showed that IDP-Fusion can achieve more stable performance than the other existing predictors on independent test sets with different ratios between SDRs and LDRs.
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Project description:The solution to the job shop scheduling problem (JSSP) is of great significance for improving resource utilization and production efficiency of enterprises. In this paper, in view of its non-deterministic polynomial properties, a multi-agent genetic algorithm based on tabu search (MAGATS) is proposed to solve JSSPs under makespan constraints. Firstly, a multi-agent genetic algorithm (MAGA) is proposed. During the process, a multi-agent grid environment is constructed based on characteristics of multi-agent systems and genetic algorithm (GA), and a corresponding neighbor interaction operator, a mutation operator based on neighborhood structure and a self-learning operator are designed. Then, combining tabu search algorithm with a MAGA, the algorithm MAGATS are presented. Finally, 43 benchmark instances are tested with the new algorithm. Compared with four other algorithms, the optimization performance of it is analyzed based on obtained test results. Effectiveness of the new algorithm is verified by analysis results.
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Project description:Annotations of the genes and their products are largely guided by inferring homology. Sequence similarity is the primary measure used for annotation purpose however, the domain content and order were given less importance albeit the fact that domain insertion, deletion, positional changes can bring in functional varieties. Of late, several methods developed quantify domain architecture similarity depending on alignments of their sequences and are focused on only homologous proteins. We present an alignment-free domain architecture-similarity search (ADASS) algorithm that identifies proteins that share very poor sequence similarity yet having similar domain architectures. We introduce a "singlet matching-triplet comparison" method in ADASS, wherein triplet of domains is compared with other triplets in a pair-wise comparison of two domain architectures. Different events in the triplet comparison are scored as per a scoring scheme and an average pairwise distance score (Domain Architecture Distance score - DAD Score) is calculated between protein domains architectures. We use domain architectures of a selected domain termed as centric domain and cluster them based on DAD score. The algorithm has high Positive Prediction Value (PPV) with respect to the clustering of the sequences of selected domain architectures. A comparison of domain architecture based dendrograms using ADASS method and an existing method revealed that ADASS can classify proteins depending on the extent of domain architecture level similarity. ADASS is more relevant in cases of proteins with tiny domains having little contribution to the overall sequence similarity but contributing significantly to the overall function.
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Project description:Multi-dose radiotherapy protocols (fraction dose and timing) currently used in the clinic are the product of human selection based on habit, received wisdom, physician experience and intra-day patient timetabling. However, due to combinatorial considerations, the potential treatment protocol space for a given total dose or treatment length is enormous, even for relatively coarse search; well beyond the capacity of traditional in-vitro methods. In constrast, high fidelity numerical simulation of tumor development is well suited to the challenge. Building on our previous single-dose numerical simulation model of EMT6/Ro spheroids, a multi-dose irradiation response module is added and calibrated to the effective dose arising from 18 independent multi-dose treatment programs available in the experimental literature. With the developed model a constrained, non-linear, search for better performing cadidate protocols is conducted within the vicinity of two benchmarks by genetic algorithm (GA) techniques. After evaluating less than 0.01% of the potential benchmark protocol space, candidate protocols were identified by the GA which conferred an average of 9.4% (max benefit 16.5%) and 7.1% (13.3%) improvement (reduction) on tumour cell count compared to the two benchmarks, respectively. Noticing that a convergent phenomenon of the top performing protocols was their temporal synchronicity, a further series of numerical experiments was conducted with periodic time-gap protocols (10 h to 23 h), leading to the discovery that the performance of the GA search candidates could be replicated by 17-18 h periodic candidates. Further dynamic irradiation-response cell-phase analysis revealed that such periodicity cohered with latent EMT6/Ro cell-phase temporal patterning. Taken together, this study provides powerful evidence towards the hypothesis that even simple inter-fraction timing variations for a given fractional dose program may present a facile, and highly cost-effecitive means of significantly improving clinical efficacy.
| S-EPMC4252029 | biostudies-literature
Project description:COVID-19 is pervasive and threatens the safety of people around the world. Therefore, now, a method is needed to diagnose COVID-19 accurately. The identification of COVID-19 by X-ray images is a common method. The target area is extracted from the X-ray images by image segmentation to improve classification efficiency and help doctors make a diagnosis. In this paper, we propose an improved crow search algorithm (CSA) based on variable neighborhood descent (VND) and information exchange mutation (IEM) strategies, called VMCSA. The original CSA quickly falls into the local optimum, and the possibility of finding the best solution is significantly reduced. Therefore, to help the algorithm avoid falling into local optimality and improve the global search capability of the algorithm, we introduce VND and IEM into CSA. Comparative experiments are conducted at CEC2014 and CEC’21 to demonstrate the better performance of the proposed algorithm in optimization. We also apply the proposed algorithm to multi-level thresholding image segmentation using Renyi’s entropy as the objective function to find the optimal threshold, where we construct 2-D histograms with grayscale images and non-local mean images and maximize the Renyi’s entropy on top of the 2-D histogram. The proposed segmentation method is evaluated on X-ray images of COVID-19 and compared with some algorithms. VMCSA has a significant advantage in segmentation results and obtains better robustness than other algorithms. The available codes can be found at https://github.com/1234zsw/VMCSA.
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Project description:BackgroundDesign of drug combination cocktails to maximize sensitivity for individual patients presents a challenge in terms of minimizing the number of experiments to attain the desired objective. The enormous number of possible drug combinations constrains exhaustive experimentation approaches, and personal variations in genetic diseases restrict the use of prior knowledge in optimization.ResultsWe present a stochastic search algorithm that consisted of a parallel experimentation phase followed by a combination of focused and diversified sequential search. We evaluated our approach on seven synthetic examples; four of them were evaluated twice with different parameters, and two biological examples of bacterial and lung cancer cell inhibition response to combination drugs. The performance of our approach as compared to recently proposed adaptive reference update approach was superior for all the examples considered, achieving an average of 45% reduction in the number of experimental iterations.ConclusionsAs the results illustrate, the proposed diverse stochastic search algorithm can produce optimized combinations in relatively smaller number of iterative steps. This approach can be combined with available knowledge on the genetic makeup of the patient to design optimal selection of drug cocktails.
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Project description:Finding the near-native structure of a protein is one of the most important open problems in structural biology and biological physics. The problem becomes dramatically more difficult when a given protein has no regular secondary structure or it does not show a fold similar to structures already known. This situation occurs frequently when we need to predict the tertiary structure of small molecules, called peptides. In this research work, we propose a new ab initio algorithm, the generalized pattern search algorithm, based on the well-known class of Search-and-Poll algorithms. We performed an extensive set of simulations over a well-known set of 44 peptides to investigate the robustness and reliability of the proposed algorithm, and we compared the peptide conformation with a state-of-the-art algorithm for peptide structure prediction known as PEPstr. In particular, we tested the algorithm on the instances proposed by the originators of PEPstr, to validate the proposed algorithm; the experimental results confirm that the generalized pattern search algorithm outperforms PEPstr by 21.17% in terms of average root mean-square deviation, RMSD C(alpha).
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Project description:BackgroundOtitis media (OM) is the infection and inflammation of the mucous membrane covering the Eustachian with the airy cavities of the middle ear and temporal bone. OM is also one of the most common ailments. In clinical practice, the diagnosis of OM is carried out by visual inspection of otoscope images. This vulnerable process is subjective and error-prone.MethodsIn this study, a novel computer-aided decision support model based on the convolutional neural network (CNN) has been developed. To improve the generalized ability of the proposed model, a combination of the channel and spatial model (CBAM), residual blocks, and hypercolumn technique is embedded into the proposed model. All experiments were performed on an open-access tympanic membrane dataset that consists of 956 otoscopes images collected into five classes.ResultsThe proposed model yielded satisfactory classification achievement. The model ensured an overall accuracy of 98.26%, sensitivity of 97.68%, and specificity of 99.30%. The proposed model produced rather superior results compared to the pre-trained CNNs such as AlexNet, VGG-Nets, GoogLeNet, and ResNets. Consequently, this study points out that the CNN model equipped with the advanced image processing techniques is useful for OM diagnosis. The proposed model may help to field specialists in achieving objective and repeatable results, decreasing misdiagnosis rate, and supporting the decision-making processes.
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| S-EPMC8176541 | biostudies-literature