Related papers: SAGE-Amine: Generative Amine Design with Multi-Pro…

Query rewriting is pivotal for enhancing dense retrieval, yet current methods demand large-scale supervised data or suffer from inefficient reinforcement learning (RL) exploration. In this work, we first establish that guiding Large…

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

While deep learning approaches have shown remarkable performance in many imaging tasks, most of these methods rely on availability of large quantities of data. Medical image data, however, is scarce and fragmented. Generative Adversarial…

The SECARB offshore partnership project seeks to screen deep saline aquifers and hydrocarbon reservoirs in the central Gulf of Mexico (GOM) for CO2 sequestration and CO2-driven enhanced oil and gas recovery and estimate the corresponding…

We introduce Synthetic Alignment data Generation for Safety Evaluation and Red Teaming (SAGE-RT or SAGE) a novel pipeline for generating synthetic alignment and red-teaming data. Existing methods fall short in creating nuanced and diverse…

Concrete is the most widely used engineered material in the world with more than 10 billion tons produced annually. Unfortunately, with that scale comes a significant burden in terms of energy, water, and release of greenhouse gases and…

Making text-to-image (T2I) generative model sample both fast and well represents a promising research direction. Previous studies have typically focused on either enhancing the visual quality of synthesized images at the expense of sampling…

A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is…

Injecting greenhouse gas into deep underground reservoirs for permanent storage can inadvertently lead to fault reactivation, caprock fracturing and greenhouse gas leakage when the injection-induced stress exceeds the critical threshold.…

We describe a new principle - the Alkalinity Concentration Swing (ACS) - for direct air capture of carbon dioxide driven by concentrating an alkaline solution that has been exposed to the atmosphere and loaded with dissolved inorganic…

Modeling single-cell gene expression across diverse biological and technical conditions is crucial for characterizing cellular states and simulating unseen scenarios. Existing methods often treat genes as independent tokens, overlooking…

Model distillation enables the transfer of knowledge from large-scale models to compact student models, facilitating deployment in resource-constrained environments. However, conventional distillation approaches often suffer from…

Conventional approaches to the capture of CO_2 by metal-organic frameworks focus on equilibrium conditions, and frameworks that contain little CO_2 in equilibrium are often rejected as carbon-capture materials. Here we use a statistical…

Large language models (LLMs) can generate syntactically valid optimization programs, yet often struggle to reliably choose an effective modeling strategy, leading to incorrect formulations and inefficient solver behavior. We propose SAGE, a…

Spatial transcriptomics enables spatial gene expression profiling, motivating computational models that capture spatially conditioned regulatory relationships. We introduce SAGE-FM, a lightweight spatial transcriptomics foundation model…

Controllable generation is one of the key requirements for successful adoption of deep generative models in real-world applications, but it still remains as a great challenge. In particular, the compositional ability to generate novel…

This work introduces Semantically Masked Vector Quantized Generative Adversarial Network (SQ-GAN), a novel approach integrating semantically driven image coding and vector quantization to optimize image compression for…

Quantitative monitoring of subsurface changes is essential for ensuring the safety of geological CO2 sequestration. Full-waveform monitoring (FWM) can resolve these changes at high spatial resolution, but conventional deterministic…

This study presents a methodology for surrogate optimization of cyclic adsorption processes, focusing on enhancing Pressure Swing Adsorption units for carbon dioxide ($CO_{2}$) capture. We developed and implemented a multiple-input,…

Designing molecules that must satisfy multiple, often conflicting objectives is a central challenge in molecular discovery. The enormous size of chemical space and the cost of high-fidelity simulations have driven the development of machine…