Related papers: DirectMultiStep: Direct Route Generation for Multi…

The discovery of functional molecules is an expensive and time-consuming process, exemplified by the rising costs of small molecule therapeutic discovery. One class of techniques of growing interest for early-stage drug discovery is de novo…

Switching between different levels of resolution is essential for multiscale modeling, but restoring details at higher resolution remains challenging. In our previous study we have introduced deepBackmap: a deep neural-network-based…

Multi-step (also called n-step) methods in reinforcement learning (RL) have been shown to be more efficient than the 1-step method due to faster propagation of the reward signal, both theoretically and empirically, in tasks exploiting…

An implicit multiscale method with multiple macroscopic prediction for steady state solutions of gas flow in all flow regimes is presented. The method is based on the finite volume discrete velocity method (DVM) framework. At the cell…

This paper formalizes path planning problem for a group of heterogeneous Dubins vehicles performing tasks in a remote fashion and develops a memetic algorithm-based method to effectively produce the paths. In the setting, the vehicles are…

State-of-the-art flow models achieve remarkable quality but require slow, iterative sampling. To accelerate this, flow maps can be distilled from pre-trained teachers, a procedure that conventionally requires sampling from an external…

Automated machine learning (AutoML) can produce complex model ensembles by stacking, bagging, and boosting many individual models like trees, deep networks, and nearest neighbor estimators. While highly accurate, the resulting predictors…

Water scarcity and the low quality of wastewater produced in industrial applications present significant challenges, particularly in managing fresh water intake and reusing residual quantities. These issues affect various industries,…

Various template-based and template-free approaches have been proposed for single-step retrosynthesis prediction in recent years. While these approaches demonstrate strong performance from a data-driven metrics standpoint, many model…

Neural Text-to-Speech (TTS) systems find broad applications in voice assistants, e-learning, and audiobook creation. The pursuit of modern models, like Diffusion Models (DMs), holds promise for achieving high-fidelity, real-time speech…

We present a new method for the automated synthesis of digital controllers with formal safety guarantees for systems with nonlinear dynamics, noisy output measurements, and stochastic disturbances. Our method derives digital controllers…

System Level Synthesis (SLS) allows us to construct internally stabilizing controllers for large-scale systems. However, solving large-scale SLS problems is computationally expensive and the state-of-the-art methods consider only state…

UAV trajectory planning is often done in a two-step approach, where a low-dimensional path is refined to a dynamic trajectory. The resulting trajectories are only locally optimal, however. On the other hand, direct planning in…

Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synthesizability, limiting their practical use in real-world…

Timestep distillation is an effective approach for improving the generation efficiency of diffusion models. The Consistency Model (CM), as a trajectory-based framework, demonstrates significant potential due to its strong theoretical…

Probabilistic sampling methods have become very popular to solve single-shot path planning problems. Rapidly-exploring Random Trees (RRTs) in particular have been shown to be efficient in solving high dimensional problems. Even though…

High-level synthesis (HLS) enhances digital hardware design productivity through a high abstraction level. Even if the HLS abstraction prevents fine-grained manual register-transfer level (RTL) optimizations, it also enables automatable…

We propose a one-step procedure to estimate the latent positions in random dot product graphs efficiently. Unlike the classical spectral-based methods such as the adjacency and Laplacian spectral embedding, the proposed one-step procedure…

Understanding galaxy morphology evolution across cosmic time requires models that can generate realistic galaxy populations conditioned on redshift. In this work, we study efficient redshift-conditioned generative modeling for astrophysical…

Multi-step forecasting is often described through a simple rule of thumb: recursive strategies are said to have high bias and low variance, while direct strategies are said to have low bias and high variance. We revisit this belief by…