10 accepted papers
Discovering heterogeneous catalysts tailored for specific reaction intermediates remains a fundamental bottleneck in materials science. While traditional trial-and-error methods and recent generative models have shown promise, they struggle to capture the intrinsic coupling between surface geometry …
In situations where a delivery robot shares limited resources with people who are incidentally copresent in the same space, its behavior affects both those individuals and customers awaiting delivery. In this paper, we refer to such individuals as incidentally copresent persons (InCops). Most prior
Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enabling direct evaluation of energies and forces from their predictions. However, despite their physical grounding, existing H…
Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled scalable MOF generation, they assume (1) a fixed set of building bl…
Density functional theory (DFT) is a fundamental method for simulating quantum chemical properties, but it remains expensive due to the iterative self-consistent field (SCF) process required to solve the Kohn–Sham equations. Recently, deep learning methods are gaining attention as a way to bypass t…
Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce MOFFlow, the first deep generative model tailored for MOF structure prediction. Existing approaches, including ab initio…
Peer review underpins scientific progress, but it is increasingly strained by reviewer shortages and growing workloads. Large Language Models (LLMs) can automatically draft reviews now, but determining whether LLM-generated reviews are trustworthy requires systematic evaluation. Researchers have eva
Autonomous delivery robots (ADRs) encounter incidentally copresent persons (InCoPs) during their delivery journeys. Despite the potential for ADRs' behavior to influence the behavior and cognition of InCoPs, there is limited research on the interaction between ADRs and InCoPs. Therefore, in this stu…
Debiasing word embeddings has been largely limited to individual and independent social categories. However, real-world corpora typically present multiple social categories that possibly correlate or intersect with each other. For instance, “hair weaves” is stereotypically associated with African Am…
Video Question Answering (Video QA) aims to give an answer to the question through semantic reasoning between visual and linguistic information. Recently, handling large amounts of multi-modal video and language information of a video is considered important in the industry. However, the current vid…