International Institute of Information Technology, Hyderabad

About: International Institute of Information Technology, Hyderabad is a education organization based out in Hyderabad, India. It is known for research contribution in the topics: Authentication & Internet security. The organization has 2048 authors who have published 3677 publications receiving 45319 citations. The organization is also known as: IIIT Hyderabad & International Institute of Information Technology (IIIT).

Coupling Statistical Machine Translation with Rule-based Transfer and Generation.

Abstract: In this paper, we present the insights gained from a detailed study of coupling a highly modular English-Hindi RBMT system with a standard phrase-based SMT system. Coupling the RBMT and SMT systems at various stages in the RBMT pipeline, we observe the effects of the source transformations at each stage on the performance of the coupled MT system. We propose an architecture that systematically exploits the structural transfer and robust generation capabilities of the RBMT system. Working with the English-Hindi language pair, we show that the coupling configurations explored in our experiments help address different aspects of the typological divergence between these languages. In spite of working with very small datasets, we report significant improvements both in terms of BLEU (7.14 and 0.87 over the RBMT and the SMT baselines respectively) and subjective evaluation (relative decrease of 17% in SSER).

Ray Casting Deformable Models on the GPU

Abstract: The GPUs pack high computation power and a restricted architecture into easily available hardware today. They are now used as computation co-processors and come with programming models that treat them as standard parallel architectures. We explore the problem of realtime ray casting of large deformable models (over a million triangles) on large displays (a million pixels) on an off-the-shelf GPU in this paper. Ray casting is an inherently parallel and highly compute intensive operation. We build a GPU-efficient three-dimensional data structure for this purpose and a corresponding algorithm that uses it for fast ray casting. We also present fast methods to build the data structure on the SIMD GPUs, including a fast multi-split operation. We achieve real-time ray-casting of a million triangle model onto a million pixels on current Nvidia GPUs using the CUDA model. Results are presented on the data structure building and ray casting on a number of models. The ideas presented here are likely to extend to later models and architectures of the GPU as well as to other multi-core architectures.

Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules

Abstract: Solubility of drug molecules is related to pharmacokinetic properties such as absorption and distribution, which affects the amount of drug that is available in the body for its action. Computational or experimental evaluation of solvation free energies of drug-like molecules/solute that quantify solubilities is an arduous task and hence development of reliable computationally tractable models is sought after in drug discovery tasks in pharmaceutical industry. Here, we report a novel method based on graph neural network to predict solvation free energies. Previous studies considered only the solute for solvation free energy prediction and ignored the nature of the solvent, limiting their practical applicability. The proposed model is an end-to-end framework comprising three phases namely, message passing, interaction and prediction phases. In the first phase, message passing neural network was used to compute inter-atomic interaction within both solute and solvent molecules represented as molecular graphs. In the interaction phase, features from the preceding step is used to calculate a solute-solvent interaction map, since the solvation free energy depends on how (un)favorable the solute and solvent molecules interact with each other. The calculated interaction map that captures the solute-solvent interactions along with the features from the message passing phase is used to predict the solvation free energies in the final phase. The model predicts solvation free energies involving a large number of solvents with high accuracy. We also show that the interaction map captures the electronic and steric factors that govern the solubility of drug-like molecules and hence is chemically interpretable.

Multiple Kernel Learning Model for Relating Structural and Functional Connectivity in the Brain.

Abstract: A challenging problem in cognitive neuroscience is to relate the structural connectivity (SC) to the functional connectivity (FC) to better understand how large-scale network dynamics underlying human cognition emerges from the relatively fixed SC architecture. Recent modeling attempts point to the possibility of a single diffusion kernel giving a good estimate of the FC. We highlight the shortcomings of the single-diffusion-kernel model (SDK) and propose a multi-scale diffusion scheme. Our multi-scale model is formulated as a reaction-diffusion system giving rise to spatio-temporal patterns on a fixed topology. We hypothesize the presence of inter-regional co-activations (latent parameters) that combine diffusion kernels at multiple scales to characterize how FC could arise from SC. We formulated a multiple kernel learning (MKL) scheme to estimate the latent parameters from training data. Our model is analytically tractable and complex enough to capture the details of the underlying biological phenomena. The parameters learned by the MKL model lead to highly accurate predictions of subject-specific FCs from test datasets at a rate of 71%, surpassing the performance of the existing linear and non-linear models. We provide an example of how these latent parameters could be used to characterize age-specific reorganization in the brain structure and function.