相关论文: Rate in Template-directed Polymer Synthesis
Diffusion models have emerged as highly effective techniques for inpainting, however, they remain constrained by slow sampling rates. While recent advances have enhanced generation quality, they have also increased sampling time, thereby…
Template directed replication of nucleic acids is at the essence of all living beings and a major milestone for any origin of life scenario. We here present an idealized model of prebiotic sequence replication, where binary polymers act as…
We present paired learning and inference algorithms for significantly reducing computation and increasing speed of the vector dot products in the classifiers that are at the heart of many NLP components. This is accomplished by partitioning…
Low-tubal-rank tensor approximation has been proposed to analyze large-scale and multi-dimensional data. However, finding such an accurate approximation is challenging in the streaming setting, due to the limited computational resources. To…
We present paired learning and inference algorithms for significantly reducing computation and increasing speed of the vector dot products in the classifiers that are at the heart of many NLP components. This is accomplished by partitioning…
Standard knowledge distillation for autoregressive models often suffers from distribution mismatch. While on-policy methods mitigate this by leveraging student-generated outputs, they rely on computationally expensive Reinforcement Learning…
Molecular machines are stochastic systems that catalyze the energetic processes keeping living cells alive and structured. Inspired by the examples of F1-ATP synthase and the bacterial flagellum, we present a minimal model of an externally…
Traditional computer-aided synthesis planning (CASP) methods rely on iterative single-step predictions, leading to exponential search space growth that limits efficiency and scalability. We introduce a series of transformer-based models,…
Template based single step retrosynthesis predicts reactants by selecting and applying an explicit reaction template, making each prediction traceable to a chemical transformation rule. This is useful for synthesis planning, but template…
The high fidelity of DNA polymerase is critical for the faithful replication of genomic DNA. Several approaches were proposed to quantify the fidelity of DNA polymerase. Direct measurements of the error frequency of the replication products…
Matrix Product State (MPS) is a versatile tensor network representation widely applied in quantum physics, quantum chemistry, and machine learning, etc. MPS sampling serves as a critical fundamental operation in these fields. As the…
Approximating a tensor in the tensor train (TT) format has many important applications in scientific computing. Rounding a TT tensor involves further compressing a tensor that is already in the TT format. This paper proposes new randomized…
Backtracking of RNA polymerase (RNAP) is an important pausing mechanism during DNA transcription that is part of the error correction process that enhances transcription fidelity. We model the backtracking mechanism of RNA polymerase, which…
Recent advances in text-to-speech (TTS) synthesis, such as Tacotron and WaveRNN, have made it possible to construct a fully neural network based TTS system, by coupling the two components together. Such a system is conceptually simple as it…
Beampattern synthesis is a key problem in many wireless applications. With the increasing scale of MIMO antenna array, it is highly desired to conduct beampattern synthesis on a sparse array to reduce the power and hardware cost. In this…
We address the calculation of microcanonical reaction rates for processes involving significant nuclear quantum effects using ring-polymer molecular dynamics (RPMD), both with and without electronically non-adiabatic transitions. After…
Score-based generative models (SGMs) have demonstrated unparalleled sampling quality and diversity in numerous fields, such as image generation, voice synthesis, and tabular data synthesis, etc. Inspired by those outstanding results, we…
Current 3DGS compression methods largely forego the neural analysis-synthesis transform, which is a crucial component in learned signal compression systems. As a result, redundancy removal is left solely to the entropy coder, overburdening…
In the process of translation, ribosomes read the genetic code on an mRNA and assemble the corresponding polypeptide chain. The ribosomes perform discrete directed motion which is well modeled by a totally asymmetric simple exclusion…
Machine learning (ML) accelerates the exploration of material properties and their links to the structure of the underlying molecules. In previous work [J. Shi, M. J. Quevillon, P. H. A. Valen\c{c}a, and J. K. Whitmer, \textit{ACS Appl.…