相关论文: Inverse Design of Next-generation Superconductors …

Diffusion model deployment has been suffering from high energy consumption and inference latency despite its superior performance in visual generation tasks. Dynamic voltage and frequency scaling (DVFS) offers a promising solution to…

Diffusion models are known for generating high-quality images, causing serious security concerns. To combat this, most efforts rely on deep neural networks (e.g., CNNs and Transformers), while largely overlooking the potential of…

Machine learning has demonstrated remarkable promise for solving the trajectory generation problem and in paving the way for online use of trajectory optimization for resource-constrained spacecraft. However, a key shortcoming in current…

Diffusion-based models have gained significant popularity for text-to-image generation due to their exceptional image-generation capabilities. A risk with these models is the potential generation of inappropriate content, such as biased or…

Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new…

Latent defect screening is challenged by extremely low failure rates, high-dimensional test data, and absence of labeled anomalies. We propose the first unsupervised anomaly detection framework incorporating a Diffusion Transformer. Raw…

The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…

While diffusion models have shown great success in image generation, their noise-inverting generative process does not explicitly consider the structure of images, such as their inherent multi-scale nature. Inspired by diffusion models and…

The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools…

Generative systems have a significant potential to synthesize innovative design alternatives. Still, most of the common systems that have been adopted in design require the designer to explicitly define the specifications of the procedures…

We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-angle convergent-beam electron diffraction (LACBED) patterns.…

Billions of organic molecules are known, but only a tiny fraction of the functional inorganic materials have been discovered, a particularly relevant problem to the community searching for new quantum materials. Recent advancements in…

The goal of inverse design in distributed circuits is to generate near-optimal designs that meet a desirable transfer function specification. Existing design exploration methods use some combination of strategies involving artificial grids,…

Diffusion models are rising as a powerful solution for high-fidelity image generation, which exceeds GANs in quality in many circumstances. However, their slow training and inference speed is a huge bottleneck, blocking them from being used…

Data driven generative machine learning models have recently emerged as one of the most promising approaches for new materials discovery. While the generator models can generate millions of candidates, it is critical to train fast and…

Data inconsistency leads to a slow training process when deep neural networks are used for the inverse design of photonic devices, an issue that arises from the fundamental property of non-uniqueness in all inverse scattering problems. Here…

Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with desired properties. In addition, these models could also be…

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Deep generative models have emerged as promising tools for detecting arbitrary anomalies in data, dispensing with the necessity for manual labelling. Recently, autoregressive transformers have achieved state-of-the-art performance for…

Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals…