A Diffusion Model is a mathematical framework used to describe how information, substances, or particles spread through a medium over time. In machine learning, diffusion models are used for generating data by simulating the gradual transition from noise to data, often applied in tasks like image generation.

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PPDiff: Diffusing in Hybrid Sequence-Structure Space for Protein-Protein Complex Design

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Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets on demand, without extensive rounds of wet-lab testing,remains a significant challenge. Here, we introduce PPDiff, a diffusion model to jointly design the sequence and structure of binders for arbitrary protein targets in a non-autoregressive manner. PPDiff builds upon our developed Sequence Structure Interleaving Network with Causal attention layers (SSINC), which integrates interleaved self-attention layers to capture global amino acid correlations, k-nearest neighbor (kNN) equivariant graph layers to model local interactions in three-dimensional (3D) space, and causal attention layers to simplify the intricate interdependencies within the protein sequence. To assess PPDiff, we curate PPBench, a general protein complex dataset comprising 706,360 complexes from the Protein Data Bank (PDB). The model is pretrained on PPBench and finetuned on two real-world applications: target-protein mini-binder complex design and antigen-antibody complex design. PPDiff consistently surpasses baseline methods, achieving success rates of 50.00%, 23.16%, and 16.89% for the pretraining task and the two downstream applications, respectively.

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DiffOptics: A Conditional Diffusion Model for Fiber Optics Sensing Data Imputation

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We present a generative AI framework based on a conditional diffusion model for distributed acoustic sensing (DAS) data imputation. The proposed DiffOptics model generates high-quality DAS data of various acoustic events using telecom fiber cables.

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Drive-1-to-3: Enriching Diffusion Priors for Novel View Synthesis of Real Vehicles

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The recent advent of large-scale 3D data, e.g. Objaverse, has led to impressive progress in training pose-conditioned diffusion models for novel view synthesis. However, due to the synthetic nature of such 3D data, their performance drops significantly when applied to real-world images. This paper consolidates a set of good practices to finetune large pretrained models for a real-world task — harvesting vehicle assets for autonomous driving applications. To this end, we delve into the discrepancies between the synthetic data and real driving data, then develop several strategies to account for them properly. Specifically, we start with a virtual camera rotation of real images to ensure geometric alignment with synthetic data and consistency with the pose manifold defined by pretrained models. We also identify important design choices in object-centric data curation to account for varying object distances in real driving scenes — learn across varying object scales with fixed camera focal length. Further, we perform occlusion-aware training in latent spaces to account for ubiquitous occlusions in real data, and handle large viewpoint changes by leveraging a symmetric prior. Our insights lead to effective finetuning that results in a 68.8% reduction in FID for novel view synthesis over prior arts.

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