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Analyzing synthesis pathways for target molecules in a chemical reaction network annotated with information on the kinetics of individual reactions is an area of active study. This work presents a computational methodology for searching for…
Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…
Quantum processors require rapid and high-fidelity simultaneous measurements of many qubits. While superconducting qubits are among the leading modalities toward a useful quantum processor, their readout remains a bottleneck. Traditional…
The integration of large-scale chemical databases represents a critical bottleneck in modern cheminformatics research, particularly for machine learning applications requiring high-quality, multi-source validated datasets. This paper…
Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are generally unfeasible for the accurate representation of…
A model is presented for predicting the capture of magnetic micro/nano-particles in a bioseparation microsystem. This bioseparator consists of an array of conductive elements embedded beneath a rectangular microfluidic channel. The magnetic…
We give an information flow interpretation for multicasting using network coding. This generalizes the fluid model used to represent flows to a single receiver. Using the generalized model, we present a decentralized algorithm to minimize…
We report a method to convert discrete representations of molecules to and from a multidimensional continuous representation. This model allows us to generate new molecules for efficient exploration and optimization through open-ended…
Existing information retrieval systems are largely constrained by their reliance on vector inner products to assess query-document relevance, which naturally limits the expressiveness of the relevance score they can produce. We propose a…
Owing to their rich internal structure and significant long-range interactions, ultracold molecules have been widely explored as carriers of quantum information. Several different schemes for encoding qubits into molecular states, both bare…
Significant progress has been made to increase access to droplet microfluidics for labs with limited microfluidics expertise or fabrication equipment. In particular, using off-the-shelf systems has been a valuable approach. However, the…
Batched network coding (BNC) is a low-complexity solution to network transmission in multi-hop packet networks with packet loss. BNC encodes the source data into batches of packets. As a network coding scheme, the intermediate nodes perform…
A sampling calorimeter equipped with gaseous sensor layers with digital readout is near perfect for "Particle Flow Algorithm" approach, since it is homogeneous over large surfaces, robust, cost efficient, easily segmentable to any readout…
In nanopore technology, the development of multiplexed detection and release platforms with high spatial and temporal resolution remains a significant challenge due to the difficulty in distinguishing signals originating from different…
Induction time, a measure of how long one will wait for nucleation to occur, is an important parameter in quantifying nucleation kinetics and its underlying mechanisms. Due to the stochastic nature of nucleation, efficient methods for…
Precoding has been conventionally considered as an effective means of mitigating the interference and efficiently exploiting the available in the multiantenna downlink channel, where multiple users are simultaneously served with independent…
The performance and the decoding complexity of a novel coding scheme based on the concatenation of maximum distance separable (MDS) codes and linear random fountain codes are investigated. Differently from Raptor codes (which are based on a…
Constrained sequence codes have been widely used in modern communication and data storage systems. Sequences encoded with constrained sequence codes satisfy constraints imposed by the physical channel, hence enabling efficient and reliable…
We present a five level atomic system in which the index of refraction of a probe laser can be enhanced or reduced below unity with vanishing absorption in the region between pairs of absorption and gain lines formed by dressing of the…
Nanoelectromechanical resonators have been successfully used for a variety of sensing applications. Their extreme resolution comes from their small size at the cost of low capture area, making the "needle in a haystack" issue acute. This…