Property Prediction of Stacked Bilayer Materials: A Multimodal Learning Approach

AI for materials science is a critical topic within AI for science, aiming to accelerate materials discovery and produce accurate property predictions. Bilayer 2D material stacking is essential for exploring new materials with novel functions and inherent phenomena, enabling the creation of new 2D bilayers for diverse real-world applications. Research on bilayer vdWs materials has made significant progress from experimental and computational perspectives. Various bilayer materials have been successfully synthe sized experimentally and the increasing utilization of high-throughput computing technology has con structed several computational two-dimensional materials databases. However, the use of AI to model bilayer stacking and predict new properties remains underexplored, necessitating further research studies. In this work, we propose a novel multimodal learning approach to study the interfaces between dissimilar materials that jointly enable new or multiple functions, and to predict new properties arising from the vertical integration (stacking) of different functional material layers under given configurations. Comprehensive experiments demonstrate the effectiveness and efficiency of our approach compared to baseline methods. Our code is available at https://github.com/AnVuong123/bimat ml.

A Multi-Agent LLM Framework for Rating the Quality of Surgical Feedback

Verbal feedback delivered by attending surgeons in the operating room plays a critical formative role in resident trainee skill acquisition. Yet, assessing the quality of trainer feedback and its effectiveness in influencing trainee behavior during live surgery remains a challenge. Prior studies assessed feedback content relying on extensive manual annotation by expert human raters and focused on developing broad taxonomies that overlook the qualitative aspects of feedback delivery such as clarity or urgency. Limited existing automated methods, including keyword analysis and topic modeling, also fail to capture these nuanced aspects. We introduce a two-stage LLM-based framework that discovers interpretable feedback quality criteria grounded in the context of surgical training. Our method uses multi-agent prompting and surgical domain knowledge injection to discover a small set of human interpretable scoring criteria (e.g., Encouraging, Urgent, Clear). These criteria are then used to automatically score live surgical feedback via an LLM-as-a-judge approach. Evaluation on 4.2k trainer feedback instances demonstrates that our AI-discovered criteria outperform prior content-based frameworks in predicting feedback effectiveness, including observed trainee behavioral adjustments and trainer approval. This work advances scalable, human-aligned assessment of communication quality in the operating room and provides a foundation for improving surgical teaching practices.

Understanding Safety-Sensitive Expert Behavior in Mixture-of-Experts LLMs

Mixture-of-Experts (MoE) LLMs rely on sparse, router-driven expert activation, yet how safety alignment interacts with routed expert specialization remains underexplored. A common intuition is that safety behavior may be controlled by routing harmful requests to distinct refusal-oriented experts. In this work, we provide empirical evidence for a different picture: routing patterns in aligned MoE LLMs are largely topic-driven, while safety behavior can be altered with little change to the model's intrinsic routing path. Motivated by this observation, we present **RASET** (**R**outer-**A**gnostic **S**afety-critical **E**xpert **T**uning), a red-teaming framework that probes safety enforcement that is localized in a small subset of experts while preserving the model's intrinsic routing behavior. **RASET** identifies safety-critical experts via a contrastive routing-sensitivity criterion and applies parameter-efficient tuning only to the selected experts, minimizing semantic disruption relative to router-steering interventions. These results reveal a distinct MoE safety risk, highlighting the need for expert-aware alignment mechanisms.

A Comparative Evaluation of Structural Topic Models and BERTopic for Short, Open-Ended Survey Responses

Topic modeling in applied psychology increasingly spans two methodological traditions: probabilistic bag-of-words models and newer embedding-based approaches. Yet many evaluations of these methods rely on longer and cleaner benchmark corpora, leaving less guidance for short, open-ended survey responses. This paper compares Structural Topic Models (STM), a probabilistic topic model, and BERTopic, an embedding-based model, for analyzing open-ended survey responses. We evaluated three STM conditions and five BERTopic conditions, varying typographical correction, stemming, embedding choice, and contextual augmentation, a strategy we introduced to provide additional semantic context for very short responses. Results indicate that BERTopic consistently produced higher topic coherence than STM, with contextual augmentation yielding the strongest performance gains. In contrast, higher-dimensional embeddings alone did not improve coherence and were associated with greater data loss. Qualitative evaluation showed that BERTopic generated more interpretable and stable topics, while STM topics were often broader and more mixed. However, STM provides stronger support for inferential covariate analysis, whereas BERTopic covariate comparisons are primarily descriptive. These findings suggest that STM and BERTopic offer complementary strengths. We conclude with practical guidance for selecting and combining topic modeling approaches in applied social science research.

When Discourse Pressures Conflict: Information Structure in Vision-Language Model Outputs

Vision-language models (VLMs) are increasingly evaluated for whether they identify the right visual content, but little is known about whether they express such content in a discourse-appropriate form. We address this research gap using information structure (IS), testing whether VLMs distinguish discourse-old Topics from discourse-new Foci in visually grounded question answering. We exploit Hungarian, a language in which Topic and Focus map onto dedicated syntactic positions, making IS choices observable in text. Comparing six VLMs with human participants, we find that models produce IS-relevant constructions, but over-regularise this sensitivity. Under the interacting pressures of discourse status, grammatical role (preference for subject Topics) and definiteness (preference for indefinite Foci), humans choose variable strategies for IS realisation. VLMs, by contrast, collapse onto narrow response templates, resembling mode collapse (Kirk et al., 2024). Our findings suggest that VLM evaluation should look beyond content accuracy to how content is packaged for the discourse.

What Gets Cited: Competitive GEO in AI Answer Engines

AI answer engines generate answers from retrieved pages but cite only a few sources. This makes visibility depend not just on ranking, but on being cited. We study competitive Generative Engine Optimization (GEO): when two retrieved candidates compete, what makes one more likely to be cited first? We build a controlled two-document retrieval-augmented generation (RAG) testbed that injects exactly two candidate sources into the model context and measures which source is referenced by the first citation marker in the output. Across six LLMs we execute 252,000 trials, repeated paired comparisons under one factorial program over 18 content factors. In each trial the two sources differ in exactly one factor; we use brand anonymization and counterbalanced source order to separate content effects from position bias. Mixed-effects models show that topical relevance and list position are the biggest drivers of being cited first. Including explicit price information and a recent timestamp also helps consistently. Completeness and trust cues add smaller gains, while formatting-only edits have little impact. We release a reproducible evaluation protocol and a prioritized GEO checklist for practitioners, and we exercised it in an early internal pilot at Sprinklr, where teams reported positive qualitative feedback on workflow usability.

SSDAU: Structured Semantic Data Augmentation for Joint Entity and Relation Extraction

Joint Entity and Relation Extraction (JERE) is highly sensitive to training data quality, making data augmentation a natural way to improve generalization. However, existing augmentation methods often weaken entity relevance and disrupt semantic structure, limiting their effectiveness for JERE. In this paper, we propose \textbf{Structured Semantic Data Augmentation (SSDAU)}, a method designed to preserve triple-aware semantic structure during augmentation. SSDAU segments text by entity labels, captures semantic features through context-aware encoding, and restructures entity semantics to generate augmented data. To distinguish semantically similar entities, SSDAU combines contextualized embeddings with traditional similarity scores. To reduce topic inconsistency, we apply BERTopic-based filtering to remove irrelevant augmentations. We evaluate SSDAU on datasets with different annotation types and compare its performance on five representative JERE models against seven popular augmentation baselines. Experiments show that SSDAU generates semantically consistent data, is more robust to ambiguity than non-LLM methods (8.95\% vs. 23.58\% average relative F1 decrease), and significantly outperforms strong alternatives in most settings.

Generating 3D models from sketches of human faces using a combined approach of Convolutional Neural Networks, Procedural Modeling, and Contour Mapping

Generating 3D models from face sketches is an active topic of research in Computer Graphics due to its potential to tremendously facilitate the modeling of faces for both professional 3D arists and novices. Motivated by the observation that facial expressions are responsible for significantly altering and shaping the contours in our faces, we combine both expression detection and 3D model generation in our approach. The result is a novel approach to generating 3D models from sketches which relies on three components: Convolutional Neural Networks, a parametric 3D face model (Valley Girl), and Active Snake Contours. For the first time in the literature, CNNs are trained (using our own generated dataset) to detect the expression in the given sketch through detecting the active FACS Action Units. The expression is then duplicated on Valley Girl to obtain a 3D model with a similar expression. Active Snake Contours are then used to find the transforms needed to close the gaps between that model and the given sketch.

From Simulation to Enaction: Post-trained language models recognize and react to their own generations

Language models are pretrained as passive predictors with no incentive to model the consequences of their own outputs. Post-training changes this: a model producing its own responses can benefit from recognizing that it is on-policy. We present evidence that post-trained models recognize their on-policy generations, and this recognition is implicitly encoded in their output distributions. In particular, on-policy output distribution entropy is 3--4$\times$ lower than off-policy entropy, across model families and size classes. We trace part of this effect to an internal representation of input surprise, tracking the unlikeliness of the most recent input token according to the model's prior predictions, that causally modulates output entropy. One example of these phenomena can be observed in response to open-ended prompts; post-trained models (unlike pretrained models) collapse their uncertainty over the topic of their upcoming response before the first output token; violating this cached intention with a different-topic prefill results in higher output entropy. We also tested whether models can distinguish on-policy contexts from prefills via explicit verbal report. We find that they can, but that interestingly, this explicit recognition routes through a different mechanism than implicit recognition.

Trustworthy Recommendation in the Era of Large Language Models: Opportunities and Challenges

The field of recommender systems (RS) is currently undergoing two profound paradigm shifts. From the perspective of objectives, the goal has shifted beyond mere recommendation accuracy to comprehensive trustworthiness, encompassing multiple dimensions such as robustness, fairness, and privacy preservation. From a technical perspective, Large Language Models (LLMs) have been extensively integrated into RS, reshaping the foundations of recommendation through richer semantic understanding, stronger intent reasoning, and more flexible user interactions. The convergence of these two shifts prompts a timely and pivotal question: how does the integration of LLMs reshape the landscape of trustworthy recommendation? In this work, we present a systematic review of trustworthy LLM-empowered recommendation. By comprehensively analyzing over 200 recent studies, we reveal that the introduction of LLMs acts as a double-edged sword. While their advanced mechanisms and user-friendly interfaces offer unprecedented opportunities to enhance trustworthiness, they simultaneously introduce new risks, such as novel forms of bias and hallucination-induced issues. To characterize this dual impact, we systematically identify 13 opportunities and 18 challenges across six fundamental dimensions of trustworthiness, and accordingly organize the existing literature into a novel taxonomy. We also provide a comprehensive review of commonly used datasets and evaluation metrics to facilitate empirical validation. Finally, we identify critical open challenges and outline future directions, hoping to inspire future research on this emerging topic.