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Publication Open Access A systematic and efficient input selection method for artificial neural networks using mixed-integer nonlinear programming(Konya Teknik Üniversitesi, 2022) Şıldır, Hasan; Department of Chemical and Biological Engineering; Aydın, Erdal; Faculty Member; Department of Chemical and Biological Engineering; College of Engineering; 311745Selection of input variables of the empirical models has vital effect on the prediction performance, reduced overfitting and reduced computational load. Various trials and error and sequential methods in the literature to deal with input selection for artificial neural networks (ANNs). However, these methods are not considered as automatic and systematic. This study proposes a novel and efficient mixed integer nonlinear programming-based approach to handle optimal input selection and the ANN training simultaneously for classification problems. Such selection uses binary (0-1) variables to represent the presence of the input variables and trains traditional continuous network weights simultaneously. Two classification case studies are given to demonstrate the advantages by using widely used data sets and statistical measures. The first data set is related to the characterization of the type of a tumor related to breast cancer, the second data set is about predicting the type of a biotechnological product using different features, the last one is related to heart failure prediction. Results show that better test performance can be achieved with optimally selected inputs, resulting in reduced overfitting. The proposed approach delivers a significant advantage during the design and training of the ANNs and is also applicable to other empirical models. / Ampirik modellerin girdi değişkenlerinin seçimi, tahmin performansı, azaltılmış fazla uydurma ve hesaplama yükünün azaltılması üzerinde önemli etkiye sahiptir. Literatürde yapay sinir ağları (YSA) için girdi seçimi ile ilgili çeşitli deneme yanılma yöntemleri mevcuttur ancak bu metodlar sistematik ve otomatik olarak kabul edilmemektedir. Bu çalışma, sınıflandırma problemleri için optimal girdi seçimi ve YSA eğitimini aynı anda ele almak için yeni ve verimli bir karma tamsayılı doğrusal olmayan programlama tabanlı bir yaklaşım önermektedir. Bu seçim, girdi değişkenlerinin varlığını temsil etmek için ikili (0-1) değişkenleri kullanır ve geleneksel sürekli ağ ağırlıklarını veya parametrelerini aynı anda eğitir. Yaygın olarak kullanılan veri setleri ve istatistiksel ölçümler kullanarak avantajları göstermek amacıyla üç sınıflandırma vaka çalışması sunulmuştur. Birinci veri seti meme kanseri ile ilgili tümörün tipin-in karakterizasyonu ile ilgili olup, ikinci veri seti ise farklı özellikler kullanılarak bir biyoteknolojik ürünün tipinin tahmin edilmesi ile ilgilidir, son veri seti ise kalp sağlığı ile ilgilidir. Sonuçlar, optimal olarak seçilen girdiler ile düşük fazla uydurma sayesinde daha iyi test performansının elde edilebileceğini göstermektedir. Önerilen yaklaşım, YSA'ların tasarımı ve eğitimi sırasında önemli bir avantaj sağlar ve diğer ampirik modellere de uygulanabilir.
Publication Metadata only A two-dimensional Monte Carlo polymerization of 5-membered rings(Scientific Technical Research Council Turkey, 1997) Esentürk, O.; Pamuk, H. A.; Department of Chemistry; Yurtsever, İsmail Ersin; Faculty Member; Department of Chemistry; College of Sciences; 7129A modification of the kinetic growth model in two dimensions for the polymerization of 5-membered rings is presented. The preliminary results reveal the validity of the modified model.Publication Metadata only Access pattern-aware data placement for hybrid DRAM/NVM(TUBITAKScientific and Technical Research Council Turkey, 2017) Department of Computer Engineering; Erten, Didem Unat; Faculty Member; Department of Computer Engineering; College of Engineering; 219274in recent years, increased interest in data-centric applications has led to an increasing demand for large capacity memory systems. Nonvolatile memory (NVM) technologies enable new opportunities in terms of process-scaling and energy consumption, and have become an attractive memory technology that serves as a secondary memory at low cost. However, NVM has certain disadvantages for write references, due to its high dynamic energy consumption for writes and low bandwidth compared to DRaM writes. in this paper, we propose an access-aware placement of objects in the application code for two types of memories. Given the desired power savings and acceptable performance loss, our placement algorithm suggests candidate variables for NVM. We present an evaluation of the proposed technique on two applications and study the energy and performance consequences of different placements.Publication Open Access CO2 absorption into primary and secondary amine aqueous solutions with and without copper ions in a bubble column(TÜBİTAK, 2022) Güler, Cansu; Uzunlar, Erdal; Department of Chemical and Biological Engineering; Erkey, Can; Yousefzadeh, Hamed; Faculty Member; Researcher; Department of Chemical and Biological Engineering; College of Engineering; 29633; N/AChemical absorption of CO2 into aqueous amine solutions using a nonstirred bubble column was experimentally investigated. The performance of CO2 absorption of four different primary and secondary amines including monoethanolamine (MEA), piperazine (PZ), 2-piperidineethanol (2PE), and homopiperazine (HPZ) were compared. The effects of initial concentration of amine, the inlet mole fraction of CO2, and solution temperature on the rate of CO2 absorption and CO2 loading (mol CO2/mol amine) were studied in the range of 0.02–1 M, 0.10–0.15, and 25–40 °C, respectively. The effect of the presence of copper ions in the amine solution on CO2 loading was also studied. By comparison of the breakthrough curves of the amines at different operational conditions, it was revealed that the shortest and longest time for the appearance of the breakthrough point was observed for MEA and HPZ solutions, respectively. CO2 loading of MEA, 2PE, PZ, and HPZ aqueous solutions at 25 °C, 0.2 M of initial concentration of amine, and 0.15 of inlet mole fraction of CO2 were 1.06, 1.14, 1.13, and 1.18 mol CO2/mol amine, respectively. By decreasing the inlet mole fraction of CO2 from 0.15 to 0.10, CO2 loading slightly decreased. As the initial concentration of amine and temperature decreased, CO2 loading increased. Also, the presence of copper ions in the absorbent solution resulted in a decrease in the CO2 loading of MEA and HPZ aqueous solutions. In case of PZ and 2PE amines, adding copper ions led to precipitation even at low copper ion concentrations.Publication Open Access Crowd-shipping service network design problem(Pamukkale University / Pamukkale Üniversitesi, 2022) Department of Industrial Engineering; Yıldız, Barış; Faculty Member; Department of Industrial Engineering; College of Engineering; 258791With the rising concerns over the increasing costs and negative externalities of city logistics, the need for innovative approaches to come up with low-cost and environmentally friendly distribution systems is on the rise. One such innovative approach is crowd-shipping (CS). In this model, which aims to combine packet and passenger transfers to utilize redundant transportation capacity, the individuals who want to earn small compensations and/or help the environment are employed to carry out package transfers between service points on the paths of their already planned trips. In this study, we introduce the strategic level CS network design problem, which needs to be solved to determine the locations and the capacities of the service points in the urban area to establish an efficient CS delivery system. We propose a novel Benders Decomposition algorithm to solve this challenging problem that we model as a scenario-based two-stage stochastic integer program. The results of our comprehensive numerical experiments attest to the efficacy of the approach to solve practical size problem instances and provide significant managerial insights, showing that such a well-designed CS network can provide savings (in terms of both economic and environmental costs), even in the case of express package transfers with very stringent delivery lead time restrictions. In particular, our results show that by carefully choosing the locations and the capacities of the service points, it is possible to carry out a significant portion of express deliveries with the crowd provided delivery capacity (up to 56% in our experiments) without deploying a very large number of them (less than 60 in all our experiment) in the region, indicating the strong potential and applicability of the CS delivery systems in real world delivery operations. / Şehir içi dağıtım faaliyetlerinin artan maliyetleri ve neden olduğu sorunlar (trafik, çevre kirliliği, gürültü, araç kazaları, vb.) hakkında artan kaygılar, bu alanda yenilikçi yaklaşımlara olan ihtiyacı giderek artırmaktadır. Ön plana çıkan söz konusu yaklaşımlardan birisi de Kitle destekli dağıtım (KDD) modelidir. Yolcu ve paket taşımacılığını bütünleştirerek atıl araç kapasitelerinin faydalı bir şekilde kullanılmasını amaçlayan bu modelde, kişilerin küçük ekonomik kazançlar sağlamak ve/veya dağıtım faaliyetlerinin çevreye verdiği zararları azaltılmasına katkı sunmak amacıyla kendi seyahatleri sırasında yolları üzerindeki servis noktaları arasında paket taşımacılığı yapması öngörülmektedir. Bu çalışmada, KDD faaliyetlerinin etkin bir şekilde yürütebilmesi için gerekli olan servis noktalarının/paket otomatlarının şehrin hangi noktalarına hangi kapasiteler ile kurulması gerektiğini belirlemek için çözülmesi gereken stratejik seviye “KDD servis ağı tasarımı” problemini literatüre tanıtıyoruz. İki seviyeli, senaryo tabanlı belirsiz bir tamsayılı program olarak modellediğimiz problemin çözümü için etkin bir Benders Ayrıştırma algoritması önermekteyiz. Gerçekleştirdiğimiz geniş kapsamlı hesapsal çalışmalar geliştirdiğimiz çözüm yönteminin etkinliğini ortaya koymakta, önemli yönetimsel çıkarımlar sunmaktadır. Elde ettiğimiz sonuçlar, hızlı paket taşımacılığı gibi oldukça zorlu ve maliyetli (ekonomik ve çevresel) bir dağıtım faaliyeti için iyi tasarlanmış bir KDD modelinin önemli kazanımlar sağlayabileceğini göstermektedir. Nispeten küçük sayıda (çalıştığımız problem örneklerinde en fazla 60 adet) servis noktaları ile dağıtımların önemli bir kısmının (çalıştığımız problem örneklerinde %56’ya kadar) “kitle” tarafından yapıldığı etkin bir KDD sisteminin teşkil edilebileceğini gösteren bu sonuçlar, önerilen yenilikçi yaklaşımın uygulanabilirliği konusunda önemli ipuçları vermektedir.Publication Open Access Dimerization of pyrrole(TÜBİTAK, 1998) Yurtsever, Mine; Department of Chemistry; Yurtsever, İsmail Ersin; Faculty Member; Department of Chemistry; College of Sciences; 7129Accurate ab-inito quantum mechanical calculations of pyrrole dimers are reported. The thermodynamical stabilities of dimers with alpha - alpha, alpha -beta, and beta - beta type linkages are compared in order to predict the possibilities of branching in polypyrroles. Calculations employing large basis sets and including electron correlation effects predict the alpha - alpha dimers as the most stable form. However, an alpha - beta type bonding requires only 1.5-2.0 kcal/mol, and the energy necessary to introduce a beta - beta type bond is 3.6-4.0 kcal/mol. These values show that a high degree of branching is possible even at room temperatures.Publication Metadata only Dislocation activities in aluminum alloyed Hadfield steels(N/A, 2008) Şehitoğlu, Hüseyin; Department of Mechanical Engineering; Canadinç, Demircan; Faculty Member; Department of Mechanical Engineering; College of Engineering; 23433The work presented herein investigates the unusual strain hardening prevalent in Hadfield steel, which has not yet been linked to a clear cause, yet. The methodology adopted in this study is suppressing one of the dominant deformation mechanisms interactively dictating the work hardening of Hadfield steel, namely twinning and slip, and concentrating on the other. To achieve this end, Hadfield steel was alloyed with aluminium to increase the stacking fault energy, and thereby suppress twinning and give way to slip only. As a result of the thorough mechanical and micro structural analyses, we have concluded that the slip-related dislocation activities and the high-density dislocation walls brought about by slip in Hadfield steel significantly contribute to the work hardening of this material. / Öz: Bu çalışma, uzun bir süredir araştırılmasına rağmen, Hadfield çeliğinin henüz sebebi kesin olarak ortaya konulamayan olağan dışı sertleşme kapasitesine ışık tutmak amacıyla probleme değişik bir açıdan yaklaşmaktadır. Şimdiye kadar bu sertleşmenin sebebi olarak öne sürülen ve sertleşmeye olan katkıları birbirinden ayırt edilmesi güç olan ikiz ve kayma mekanizmalarından birini bastırarak diğerini inceleme yoluna gidilmiştir. Hadfield çeliği alüminyum ile alaşımlanarak dizim hatası enerji eşiği yükseltilmiş ve kayma mekanizmasının baskın olması sağlanmıştır. Yürütülen kapsamlı deneysel ve nümerik analizler sonucu varılan sonuç, aykırı yerleşim aktivitelerinin ve bunun doğal bir sonucu olan yüksek yoğunluklu aykırı yerleşim duvarlarının, Hadfield çeliğinin sertleşmesinde büyük katkı sahibi olduğunu ortaya koymuştur.Publication Metadata only Engineer CEOs and firm performance in BIST manufacturing firms(Muhasebe ve Finansman Öğretim Üyeleri Derneği (MUFAD), 2017) Department of Business Administration; Department of Industrial Engineering; Çelikyurt, Uğur; Dönmez, Banu Nur; Faculty Member; Undergraduate Student; Department of Business Administration; Department of Industrial Engineering; College of Administrative Sciences and Economics; College of Engineering; 47082; N/AWe study the relation between the educational background of chief executive officers (CEOs) and firm performance for 122 manufacturing firms traded on Borsa Istanbul (BIST) between 2009-2015. We analyze two different measures of performance, namely operating performance and market-based performance. We find that firms that have CEOs with an engineering background experience higher operating performance measured by return on assets (ROA) than firms that have CEOs with other educational background. Moreover, firms with engineer CEOs also experience better market-based performance measured by Tobin’s Q. The positive association between having CEOs with an engineering background and firm performance that we document is robust to the inclusion of several firm-level control variables in our multivariate analysis. We also find that this positive relation is more pronounced for public manufacturing firms of smaller size. / Öz: Bu çalışmada Borsa İstanbul’da 2009-2015 arası işlem gören 122 imalat firmasındaki icra kurulu başkanının (CEO) öğrenim geçmişi ile firma performansı arasındaki ilişki incelenmiştir. Faaliyet performansı ve piyasa bazlı performans olmak üzere iki farklı performans ölçüsü analiz edilmiştir. Bulgularımıza göre icra kurulu başkanı mühendislik kökenli olan firmalar, icra kurulu başkanı diğer öğrenim geçmişlerinden olan firmalara kıyasla varlıkların getirisi bakımından daha yüksek faaliyet performansı göstermektedir. Ayrıca, icra kurulu başkanı mühendis olan firmalar Tobin’s Q oranı bakımından da daha iyi piyasa bazlı performans göstermektedir. Mühendislik kökenli icra kurulu başkanı sahibi olma ile firma performansı arasında göstermiş olduğumuz pozitif ilişki, firma düzeyindeki çeşitli kontrol değişkenlerinin çok değişkenli analizimize dahil edilmesinden etkilenmemektedir. Ayrıca bu pozitif ilişki daha küçük boyutlu halka açık imalat firmaları için daha belirgindir.Publication Metadata only Enhanced ionic conductivity and mechanical strength in nanocomposite electrolytes with nonlinear polymer architectures(TÜBİTAK, 2023) N/A; Department of Chemical and Biological Engineering; N/A; Bakar, Recep; Şenses, Erkan; Darvishi, Saeid; PhD Student; Faculty Member; PhD Student; Department of Chemical and Biological Engineering; Koç University Boron and Advanced Materials Application and Research Center (KUBAM) / Koç Üniversitesi Bor ve İleri Malzemeler Uygulama ve Araştırma Merkezi (KUBAM); Koç University Surface Science and Technology Center (KUYTAM) / Koç Üniversitesi Yüzey Teknolojileri Araştırmaları Merkezi (KUYTAM); Graduate School of Sciences and Engineering; College of Engineering; Graduate School of Sciences and Engineering; N/A; 280298; N/ASolvent-free polymer-based electrolytes (SPEs) have gained significant attention to realize safer and flexible lithium-ion batteries. Among all polymers used for preparing SPEs electrolytes, poly(ethylene oxide), a biocompatible and biodegradable polymer, has been the most prevalent one mainly because of its high ionic conductivity in the molten state, the capability for the dissolution of a wide range of different lithium salts as well as its potential for the environmental health and safety. However, linear PEO is highly semicrystalline at room temperature and thus exhibits weak mechanical performance. Addition of nanoparticles enhances the mechanical strength and effectively decreases the crystallization of linear PEO, yet enhancement in mechanical performance often results in decreased ionic conductivity when compared to the neat linear PEO-based electrolytes; new strategies for decoupling ionic conductivity from mechanical reinforcement are urgently needed. Herein, we used lithium bis(trifluoromethane-sulfonyl)-imide (LiTFSI) salts dissolved in various nonlinear PEO architectures, including stars (4-arms and 8-arms) and hyperbranched matrices, and SiO2 nanoparticles (approximately equal to 50 nm diameter) as fillers. Compared to the linear PEO chains, the room temperature crystallinity was eliminated in the branched PEO architectures. The electrolytes with good dispersion of the nanoparticles in the nonlinear PEOs significantly enhanced ionic conductivity, specifically by approximately equal to 40% for 8-arm star, approximately equal to 28% for 4-arms star, and approximately equal to %16 for hyperbranched matrices, with respect to the composite electrolyte with the linear matrix. Additionally, the rheological results of the SPEs with branched architectures show more than three orders of magnitude enhancement in the low-frequency moduli compared to the neat linear PEO/Li systems. The obtained results demonstrate that the solvent-free composite electrolytes made of branched PEO architectures can be quite promising especially for irregularly shaped and environmentally benign battery applications suitable for medical implants, wearable devices, and stretchable electronics, which require biodegradability and biocompatibility. © TÜBİTAK.Publication Metadata only Exploration of novel 6,8,9-trisubstituted purine analogues: synthesis, in vitro biological evaluation, and their effect on human cancer cells(Tubitak Scientific & Technological Research Council Turkey, 2024) Polat, Muhammed Fatih; Atalay, Rengul; Tuncbilek, Meral; N/A; Şahin, İrem Durmaz; Koç University Research Center for Translational Medicine (KUTTAM); School of MedicineCancer, a leading global cause of mortality, demands continuous advancements in therapeutic strategies. This study focuses on the design and synthesis of a novel series of purine derivatives, specifically 6 -(substituted phenyl piperazine)-8-(4-phenoxyphenyl)9-cyclopentyl purine derivatives (5-11). The motivation behind this endeavor lies in addressing acquired resistance mechanisms in cancer cells, a significant hurdle in current treatment modalities. The synthesis, starting from 4,6-dichloro-5-nitropyrimidine, involves a multi -step process, resulting in seven new purine derivatives. Biological evaluation against human liver, colon, and breast cancer cells (Huh7, HCT116, and MCF7, respectively) was performed using the SRB assay. Among the synthesized analogs, compounds 5 and 6, exhibited notable cytotoxic activity, surpassing clinically used positive controls 5-Fluorouracil and Fludarabine in terms of efficacy. This research underscores the potential of purine derivatives with a phenyl group at the C-8 position as a scaffold for developing compounds with improved anticancer properties. The findings offer insights for future exploration and development of novel agents in cancer pharmaceutical research.