arXiv:2606.00187v1 Announce Type: new Abstract: This study presents an iterative AI-guided workflow that accelerates graphite-based anode development by improving both formulation feasibility and process robustness. Sequential learning via AI/ML-guided multiobjective inverse design for anode optimization was implemented using the Citrine…
arXiv:2606.02424v1 Announce Type: cross Abstract: Histology-based single-cell spatial transcriptomics (ST) estimation aims to predict gene expression for individual cells from histopathological images and cell locations, reducing the need for costly single-cell ST measurements. Unlike existing histology-to-ST methods that mainly predict…
arXiv:2509.04631v2 Announce Type: replace Abstract: Transductive conformal prediction addresses the simultaneous prediction for multiple data points. Given a desired confidence level, the objective is to construct a prediction set that includes the true outcomes with the prescribed confidence. We demonstrate…
arXiv:2505.18113v2 Announce Type: replace Abstract: Training quantized neural networks requires addressing the non-differentiable and discrete nature of the underlying optimization problem. To tackle this challenge, the straight-through estimator (STE) has become the most widely adopted heuristic, allowing backpropagation through discrete…
arXiv:2606.00136v1 Announce Type: new Abstract: The proliferation of adversarial synthetic content, accelerated by Generative AI (GenAI) is rendering traditional reactive detection methods ineffective. This survey synthesizes emerging research to demonstrate a paradigm shift toward the proactive detection of emerging inauthentic…
arXiv:2602.04861v2 Announce Type: replace Abstract: Machine Learning Interatomic Potentials (MLIPs) sometimes fail to reproduce the physical smoothness of the quantum potential energy surface (PES), leading to erroneous behavior in downstream simulations that standard energy and force regression evaluations can miss.…
arXiv:2606.00189v1 Announce Type: new Abstract: Automated design and optimization of agentic LLM-based systems leads to sophisticated systems that substantially improve result quality over off-the-shelf agentic patterns. However, studies of fielded agentic systems show that production systems focus much more on…
arXiv:2412.19419v2 Announce Type: replace Abstract: Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive…
arXiv:2606.00198v1 Announce Type: new Abstract: While agents are increasingly spending more resources, today agent cost is mostly measured only after execution. A Budget-Aware Agent (BAGEN) should treat budget as an active control signal, rather than a passive cost metric. We…
arXiv:2606.00140v1 Announce Type: new Abstract: While the rapid adoption of multimodal generative models offers immense potential, it has also increased the risks of harmful content synthesis, deepfakes, and copyright infringements. To address these challenges, concept erasure has emerged as a…
