相关论文: SAGE-Amine: Generative Amine Design with Multi-Pro…

Generating synthetic datasets that accurately reflect real-world observational data is critical for evaluating causal estimators, but it remains a challenging task. Existing generative methods offer a solution by producing synthetic…

State Space Models (SSMs) have emerged as powerful architectures in computer vision, yet improving their computational efficiency remains crucial for practical and scalable deployment.While token reduction serves as an effective approach…

The rapid iteration cycles of modern live-service games make regression testing indispensable for maintaining quality and stability. However, existing regression testing approaches face critical limitations, especially in common gray-box…

The field of video generation has expanded significantly in recent years, with controllable and compositional video generation garnering considerable interest. Most methods rely on leveraging annotations such as text, objects' bounding…

We develop a fast-running smooth adaptive meshing (SAM) algorithm for dynamic curvilinear mesh generation, which is based on a fast solution strategy of the time-dependent Monge-Amp\`{e}re (MA) equation, $\det \nabla \psi(x,t) = \mathsf{G}…

Generative Engineering Design approaches driven by Deep Generative Models (DGM) have been proposed to facilitate industrial engineering processes. In such processes, designs often come in the form of images, such as blueprints, engineering…

Molecular dynamics (MD) simulations are useful in obtaining thermodynamic and kinetic properties of bio-molecules but are limited by the timescale barrier, i.e., we may be unable to efficiently obtain properties because we need to run…

Generative AI, specifically text-to-image models, have revolutionized interior architectural design by enabling the rapid translation of conceptual ideas into visual representations from simple text prompts. While generative AI can produce…

We perform a series of calculations using simulated QPUs, accelerated by the NVIDIA CUDA-Q platform, focusing on a molecular analog of an amine-functionalized metal-organic framework (MOF), a promising class of materials for CO$_2$ capture.…

Catalytic-materials design requires predictive modeling of the interaction between catalyst and reactants. This is challenging due to the complexity and diversity of structure-property relationships across the chemical space. Here, we…

A novel design optimization approach (ActivO) that employs an ensemble of machine learning algorithms is presented. The proposed approach is a surrogate-based scheme, where the predictions of a weak leaner and a strong learner are utilized…

Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…

Advances in compressive sensing provided reconstruction algorithms of sparse signals from linear measurements with optimal sample complexity, but natural extensions of this methodology to nonlinear inverse problems have been met with…

Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…

In this paper, we propose a self-supervised visual representation learning approach which involves both generative and discriminative proxies, where we focus on the former part by requiring the target network to recover the original image…

Sparked by innovations in generative artificial intelligence (AI), the field of protein design has undergone a paradigm shift with an explosion of new models for optimizing existing enzymes or creating them from scratch. After more than one…

Many critical applications, from autonomous scientific discovery to personalized medicine, demand systems that can both strategically acquire the most informative data and instantaneously perform inference based upon it. While amortized…

Dataset condensation aims at reducing the network training effort through condensing a cumbersome training set into a compact synthetic one. State-of-the-art approaches largely rely on learning the synthetic data by matching the gradients…

In quantum many-body systems, measurements can induce qualitative new features, but their simulation is hindered by the exponential complexity involved in sampling the measurement results. We propose to use machine learning to assist the…

Current performance-driven building design methods are not widely adopted outside the research field for several reasons that make them difficult to integrate into a typical design process. In the early design phase, in particular, the…