Nayoung Kim

Lu Cheng, Nayoung Kim, Huan Liu

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 American females, but neither African American nor females alone. Therefore, this work studies biases associated with multiple social categories: joint biases induced by the union of different categories and intersectional biases that do not overlap with the biases of the constituent categories. We first empirically observe that individual biases intersect non-trivially (i.e., over a one-dimensional subspace). Drawing from the intersectional theory in social science and the linguistic theory, we then construct an intersectional subspace to debias for multiple social categories using the nonlinear geometry of individual biases. Empirical evaluations corroborate the efficacy of our approach. Data and implementation code can be downloaded at https://github.com/GitHubLuCheng/Implementation-of-JoSEC-COLING-22.

Joonho Koh, Haechan Jung, Nayoung Kim et al.

Data-driven dexterous hand manipulation requires large-scale, physically consistent demonstration data. Simulation and video-based methods suffer from sim-to-real gaps and retargeting problems, while MoCap glove-based teleoperation systems require per-operator calibration and lack portability, as the robot hand is typically fixed to a stationary arm. Portable alternatives improve mobility but lack cross-platform and cross-operator compatibility. We present DEX-Mouse, a portable, calibration-free hand-held teleoperation interface with integrated kinesthetic force feedback, built from commercial off-the-shelf components under USD 150. The operator-agnostic design requires no calibration or structural modification, enabling immediate deployment across diverse environments and platforms. The interface supports a configuration in which the target robot hand is mounted directly on the forearm of an operator, producing robot-aligned data. In a comparative user study across various dexterous manipulation tasks, operators using the proposed system achieved an 86.67% task completion rate under the attached configuration. Also, we found that the attached configuration reduced the perceived workload of the operators compared to spatially separated teleoperation setups across all compared interfaces. The complete hardware and software stack, including bill of materials, CAD models, and firmware, is open-sourced at https://dex-mouse.github.io/ to facilitate replication and adoption.

Nayoung Kim, David Mosallanezhad, Lu Cheng et al.

The abundance of social media data has presented opportunities for accurately determining public and group-specific stances around policy proposals or controversial topics. In contrast with sentiment analysis which focuses on identifying prevailing emotions, stance detection identifies precise positions (i.e., supportive, opposing, neutral) relative to a well-defined topic, such as perceptions toward specific global health interventions during the COVID-19 pandemic. Traditional stance detection models, while effective within their specific domain (e.g., attitudes towards masking protocols during COVID-19), often lag in performance when applied to new domains and topics due to changes in data distribution. This limitation is compounded by the scarcity of domain-specific, labeled datasets, which are expensive and labor-intensive to create. A solution we present in this paper combines counterfactual data augmentation with contrastive learning to enhance the robustness of stance detection across domains and topics of interest. We evaluate the performance of current state-of-the-art stance detection models, including a prompt-optimized large language model, relative to our proposed framework succinctly called STANCE-C3 (domain-adaptive Cross-target STANCE detection via Contrastive learning and Counterfactual generation). Empirical evaluations demonstrate STANCE-C3's consistent improvements over the baseline models with respect to accuracy across domains and varying focal topics. Despite the increasing prevalence of general-purpose models such as generative AI, specialized models such as STANCE-C3 provide utility in safety-critical domains wherein precision is highly valued, especially when a nuanced understanding of the concerns of different population segments could result in crafting more impactful public policies.

Myke C. Cohen, Nayoung Kim, Yang Ba et al.

Despite an extensive body of literature on trust in technology, designing trustworthy AI systems for high-stakes decision domains remains a significant challenge, further compounded by the lack of actionable design and evaluation tools. The Multisource AI Scorecard Table (MAST) was designed to bridge this gap by offering a systematic, tradecraft-centered approach to evaluating AI-enabled decision support systems. Expanding on MAST, we introduce an iterative design framework called \textit{Principles-based Approach for Designing Trustworthy, Human-centered AI using MAST Methodology} (PADTHAI-MM). We demonstrate this framework in our development of the Reporting Assistant for Defense and Intelligence Tasks (READIT), a research platform that leverages data visualizations and natural language processing-based text analysis, emulating an AI-enabled system supporting intelligence reporting work. To empirically assess the efficacy of MAST on trust in AI, we developed two distinct iterations of READIT for comparison: a High-MAST version, which incorporates AI contextual information and explanations, and a Low-MAST version, akin to a ``black box'' system. This iterative design process, guided by stakeholder feedback and contemporary AI architectures, culminated in a prototype that was evaluated through its use in an intelligence reporting task. We further discuss the potential benefits of employing the MAST-inspired design framework to address context-specific needs. We also explore the relationship between stakeholder evaluators' MAST ratings and three categories of information known to impact trust: \textit{process}, \textit{purpose}, and \textit{performance}. Overall, our study supports the practical benefits and theoretical validity for PADTHAI-MM as a viable method for designing trustable, context-specific AI systems.

Nayoung Kim, Seongsu Kim, Sungsoo Ahn

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 blocks and (2) known local 3D coordinates of building blocks. However, this limits their ability to (1) design novel MOFs and (2) generate the structure using novel building blocks. We propose a two-stage MOF generation framework that overcomes these limitations by modeling both chemical and geometric degrees of freedom. First, we train an SMILES-based autoregressive model to generate metal and organic building blocks, paired with a cheminformatics toolkit for 3D structure initialization. Second, we introduce a flow matching model that predicts translations, rotations, and torsional angles to assemble the blocks into valid 3D frameworks. Our experiments demonstrate improved reconstruction accuracy, the generation of valid, novel, and unique MOFs, and the ability to create novel building blocks. Our code is available at https://github.com/nayoung10/MOFFlow-2.

Hyungyu Shin, Jingyu Tang, Yoonjoo Lee et al.

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 evaluated LLM reviews at either surface-level (e.g., BLEU and ROUGE) or content-level (e.g., specificity and factual accuracy). Yet it remains uncertain whether LLM-generated reviews attend to the same critical facets that human experts weigh -- the strengths and weaknesses that ultimately drive an accept-or-reject decision. We introduce a focus-level evaluation framework that operationalizes the focus as a normalized distribution of attention across predefined facets in paper reviews. Based on the framework, we developed an automatic focus-level evaluation pipeline based on two sets of facets: target (e.g., problem, method, and experiment) and aspect (e.g., validity, clarity, and novelty), leveraging 676 paper reviews (https://figshare.com/s/d5adf26c802527dd0f62) from OpenReview that consists of 3,657 strengths and weaknesses identified from human experts. The comparison of focus distributions between LLMs and human experts showed that the off-the-shelf LLMs consistently have a more biased focus towards examining technical validity while significantly overlooking novelty assessment when criticizing papers.

Seongsu Kim, Nayoung Kim, Dongwoo Kim et al.

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 this step by directly predicting the Hamiltonian. However, they rely on deterministic regression and do not consider the highly structured nature of Hamiltonians. In this work, we propose QHFlow, a high-order equivariant flow matching framework that generates Hamiltonian matrices conditioned on molecular geometry. Flow matching models continuous-time trajectories between simple priors and complex targets, learning the structured distributions over Hamiltonians instead of direct regression. To further incorporate symmetry, we use a neural architecture that predicts SE(3)-equivariant vector fields, improving accuracy and generalization across diverse geometries. To further enhance physical fidelity, we additionally introduce a fine-tuning scheme to align predicted orbital energies with the target. QHFlow achieves state-of-the-art performance, reducing Hamiltonian error by 71% on MD17 and 53% on QH9. Moreover, we further show that QHFlow accelerates the DFT process without trading off the solution quality when initializing SCF iterations with the predicted Hamiltonian, significantly reducing the number of iterations and runtime.

Nayoung Kim, Minsu Kim, Sungsoo Ahn et al.

Recently, deep learning has made rapid progress in antibody design, which plays a key role in the advancement of therapeutics. A dominant paradigm is to train a model to jointly generate the antibody sequence and the structure as a candidate. However, the joint generation requires the model to generate both the discrete amino acid categories and the continuous 3D coordinates; this limits the space of possible architectures and may lead to suboptimal performance. In response, we propose an antibody sequence-structure decoupling (ASSD) framework, which separates sequence generation and structure prediction. Although our approach is simple, our idea allows the use of powerful neural architectures and demonstrates notable performance improvements. We also find that the widely used non-autoregressive generators promote sequences with overly repeating tokens. Such sequences are both out-of-distribution and prone to undesirable developability properties that can trigger harmful immune responses in patients. To resolve this, we introduce a composition-based objective that allows an efficient trade-off between high performance and low token repetition. ASSD shows improved performance in various antibody design experiments, while the composition-based objective successfully mitigates token repetition of non-autoregressive models.

Nayoung Kim, Yotam Sechayk, Zhongyi Zhou et al.

Learning tasks through videos is a dynamic way to acquire skills by witnessing entire processes. However, compared to in-person demonstrations, videos may omit tacit knowledge, including subtle details and contextual nuances. Users' unique circumstances, like missing ingredients in a recipe, may also require adaptation beyond the video content. To fill these gaps, many users turn to the comment section, seeking additional guidance and interactions with creators or peers to personalize their experience. Despite their importance, there is limited understanding of how users engage with and apply comments in task-learning scenarios. In our study, we explore the role of comments in video-based task-learning through interviews with 14 users, and co-watching sessions with eight. Our findings show that while comments are critical for learning, they are poorly integrated into all stages of the learning process. Based on our findings, we outline design opportunities to better utilize comments in video-based task-learning.