Transfer Learning for Improving Model Predictions in Highly Configurable Software

Modern software systems are built to be used in dynamic environments using configuration capabilities to adapt to changes and external uncertainties. In a self-adaptation context, we are often interested in reasoning about the performance of the systems under different configurations. Usually, we learn a black-box model based on real measurements to predict the performance of the system given a specific configuration. However, as modern systems become more complex, there are many configuration parameters that may interact and we end up learning an exponentially large configuration space. Naturally, this does not scale when relying on real measurements in the actual changing environment. We propose a different solution: Instead of taking the measurements from the real system, we learn the model using samples from other sources, such as simulators that approximate performance of the real system at low cost. We define a cost model that transform the traditional view of model learning into a multi-objective problem that not only takes into account model accuracy but also measurements effort as well. We evaluate our cost-aware transfer learning solution using real-world configurable software including (i) a robotic system, (ii) 3 different stream processing applications, and (iii) a NoSQL database system. The experimental results demonstrate that our approach can achieve (a) a high prediction accuracy, as well as (b) a high model reliability.Comment: To be published in the proceedings of the 12th International Symposium on Software Engineering for Adaptive and Self-Managing Systems (SEAMS'17

Retrosynthetic reaction prediction using neural sequence-to-sequence models

We describe a fully data driven model that learns to perform a retrosynthetic reaction prediction task, which is treated as a sequence-to-sequence mapping problem. The end-to-end trained model has an encoder-decoder architecture that consists of two recurrent neural networks, which has previously shown great success in solving other sequence-to-sequence prediction tasks such as machine translation. The model is trained on 50,000 experimental reaction examples from the United States patent literature, which span 10 broad reaction types that are commonly used by medicinal chemists. We find that our model performs comparably with a rule-based expert system baseline model, and also overcomes certain limitations associated with rule-based expert systems and with any machine learning approach that contains a rule-based expert system component. Our model provides an important first step towards solving the challenging problem of computational retrosynthetic analysis

Synthesis of (S)-3-Aminoethyl- 1,2,3,4-Tetrahydroisoquinoline (TIQ-Diamine) via the Mitsunobu Protocol

The synthesis of (S)-3-Aminoethyl-1, 2, 3, 4-tetrahydroisoquinoline (TIQ-diamine) was successfully achieved via the Mitsunobu protocol. The method from earlier reports utilizing aminolysis of commercially available TIQ-amino methyl ester, and reduction of the amide, proved to be inadequate for preparation of TIQ-diamines. The modified route requires three additional steps and consequently rendered three novel intermediates, which were furnished under mild conditions.Keywords: Tetrahydroisoquinoline, TIQ-diamine, Mitsunobu Reactio

Synthesis of chiral cyclic carbonates via kinetic resolution of racemic epoxides and carbon dioxide

The catalytic synthesis of cyclic carbonates using carbon dioxide as a C1-building block is a highly active area of research. Here, we review the catalytic production of enantiomerically enriched cyclic carbonates via kinetic resolution of racemic epoxides catalysed by metal-containing catalyst systems

(1S,3S)-Methyl 2-benzyl-6,7-dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinoline-3-carboxyl­ate

In the title compound, C26H27NO4, the heterocyclic ring assumes a half-chair conformation and inter­molecular C—H⋯O inter­actions help to construct the three-dimensional network within the crystal packing

(S)-4-Phenyl-2-(1,2,3,4-tetra­hydro­isoquinolin-3-yl)-1,3-thia­zole

In the title compound, C18H16N2S, the N-containing ring adopts a half-chair configuration. The crystal packing features C—H⋯N contacts. There is no π–π stacking within the crystal structure

Effects of arginine, vitamin E and vitamin C on cardiopulmonary function and ascites parameters in broilers exposed to cold temperature

Two identical experiments were conducted to evaluate the combined effects of arginine (AR), vitamin E (VE) and vitamin C (VC) on cardiopulmonary performance and ascites parameters of broilers reared under cold environmental temperature. One d old male broilers were fed a basal corn-soybean meal diet (CTL, 1.2 % AR and 40 IU VE), the basal diet supplemented with 1% AR and either 200 IU VE (AE group), or 500 mg of VC (AC group), or a combination of VE and VC (AEC group) at the same level per kg of feed. Pulmonary arterial pressure (PAP) and mean arterial pressure (MAP) were recorded in clinically healthy anesthetized birds (28-42 d old) before and after an epinephrine challenge (EPI, 0.5 mg/kg BW i.v.), Amino-guanidine Hemisulphate (AG, 100 mg/kg BW i.v.) and N-Nitro L-Arginine Methyl Ester (L-NAME 50 mg/kg BW, i.v.) at 20 min intervals. The PAP increased 30 s after EPI in all birds, but the peak PAP was lower in the AEC group than in all the other birds. After 120 s of challenge the PAP was lower in AEC birds compared to the other birds. The PAP returned to pre-EPI levels within 300 s in all groups. The PAP was increased ( P< 0.05) within 60 s after the AG and L-NAME challenge in all groups, but no differences were found among groups. Plasma nitric oxide (NO) was higher in the AEC birds than in all the other groups before and after challenge. Our results showed that birds fed AEC maintained a lower PAP than the CTL birds after EPI elicited an increase in cardiac output and this can be explained by a higher production of NO. A combination of AR, VE, and VC may have complementary effects against oxidative stress, protecting the endothelium and preserving NO function