Materials
Artificial Hivemind: The Open-Ended Homogeneity of Language Models (and Beyond)
Large language models (LMs) often struggle to generate diverse, human-like creative content, raising concerns about the long-term homogenization of human thought through repeated exposure to similar outputs. Yet scalable methods for evaluating LM output diversity remain limited, especially beyond narrow tasks such as random number or name generation, or beyond repeated sampling from a single model. To address this gap, we introduce INFINITY-CHAT, a largescale dataset of 26K diverse, real-world, open-ended user queries that admit a wide range of plausible answers with no single ground truth. We introduce the first comprehensive taxonomy for characterizing the full spectrum of open-ended prompts posed to LMs, comprising 6 top-level categories (e.g., creative content generation, brainstorm & ideation) that further breaks down to 17 subcategories.
Learning the Wrong Lessons: Syntactic-Domain Spurious Correlations in Language Models
For an LLM to correctly respond to an instruction it must understand both the semantics and the domain (i.e., subject area) of a given task-instruction pair. However, syntax can also convey implicit information. Recent work shows that syntactic templates--frequent sequences of Part-of-Speech (PoS) tags--are prevalent in training data and often appear in model outputs. In this work we characterize syntactic templates, domain, and semantics in task-instruction pairs. We identify cases of spurious correlations between syntax and domain, where models learn to associate a domain with syntax during training; this can sometimes override prompt semantics.
Supplementary Materials AGMMU: AComprehensive Agricultural Multimodal Understanding Benchmark Aruna Gauba1,2,5 Irene Pi1,3,5 Yunze Man1,4,5 Ziqi Pang1,4,5 Vikram S. Adve1,4,5 Yu-Xiong Wang1,4,5
Our evaluation and analysis are conducted mainly on the group of models listed in Table 2 in the13 main paper. We have chosen models such that they cover most of the popular and best-performing14 methods used by recent multimodal understanding work. In this part, we discuss all the models we15 have used in our experiments and explain their evaluation details, the public checkpoints we have16 chosen, and display the prompts we used to adapt the model to our datasets.17 During evaluation, we chose to follow the standard prompt provided by the authors whenever possi-18 ble for multiple-choice and short-answer questions. When the prompt is not provided for the model,19 we select a custom prompt that is created through several iterations of prompt engineering to select20 the one that produces the most effective results. The images are always included as the prefix.21 We used three proprietary models in our evaluation: GPT-o4-mini [1], Gem-22 ini 1.5 Pro [9], and Claude 3 Haiku [10]. Below we note the model API version used for evaluation.23 GPT-o4-mini: May 13-15, 2025.24 Cambrian-1 is a recent state-of-the-art model that excels at visual-centric tasks.27 This model explores combinations of vision encoders, text and image integration techniques, and28 instruction tuning strategies. We use the official implementation and checkpoint1 with a LLaMA3-29 8B-Instruct LLM backbone model in our evaluation.30 InternVL scales up the vision foundation model while aligning it with the back-31 bone LLM, and is trained on web-scale image-text data to achieve strong performance across a vari-32 ety of vision-centric tasks. We use the official implementation and checkpoint2 with the InternViT-33 300M-448px vision backbone and Internlm2.5-7B-chat LLaMA-3.2 is the first collection of multimodal large language model from the35 LLaMA family that was previously text-only. The integration of vision involves utilizing cross-36 attention layers and a pre-trained vision encoder that feeds directly into the text-processor. The37 model follows a commonly used training recipe that includes pretraining on noisy image-text pairs38 and then high-quality knowledge enhanced pairs. Notably, the language-model parameters were39 frozen during the training of alignment of image and text to retain strong text-only capabilities. We40 use the official implementation and checkpoint3 that uses a LLaMA-3.1 text-only language backbone41 in our evaluation. When evaluating the model, we choose to use a custom prompt since no standard42 prompt is provided.43
AGMMU: AComprehensive Agricultural Multimodal Understanding Benchmark
Unlike prior datasets that rely on crowdsourced prompts, AGMMU is distilled from 116,231 authentic dialogues between everyday growers and USDAauthorized Cooperative Extension experts. Through a three-stage pipeline: automated knowledge extraction, QA generation, and human verification, we construct (i) AGMMU, an evaluation set of 746 multiple-choice questions (MCQs) and 746 open-ended questions (OEQs), and (ii) AGBASE, a development corpus of 57,079 multimodal facts covering five high-stakes agricultural topics: insect identification, species identification, disease categorization, symptom description, and management instruction. AGMMU has three key advantages: Authentic & Expert-Verified: All facts, images, and answers originate from real farmer and gardener inquiries answered by credentialed specialists, ensuring high-fidelity agricultural knowledge. Complete Development Suite: AGMMU uniquely couples a dual-format evaluation benchmark (MCQ and OEQ) with AGBASE, a large-scale training set, enabling both rigorous assessment and targeted improvement of VLMs. Knowledge-intensive Challenge: Our tasks demand the synergy of nuanced visual perception and domain expertise, exposing fundamental limitations of current general-purpose models and charting a path toward robust, application-ready agricultural AI. Benchmarking 12 leading VLMs reveals pronounced gaps in fine-grained perception and factual grounding. Open-sourced models trail after proprietary ones by a wide margin. Simple fine-tuning on AGBASE boosts open-sourced model performance on challenging OEQs for up to 11.6% on average, narrowing this gap and also motivating future research to propose better strategies in knowledge extraction and distillation from AGBASE. We hope AGMMU stimulates research on domain-specific knowledge integration and trustworthy decision support in agriculture AI development.
A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development
Stricker, Samuel, Wirnsperger, Claus, Buttรฉ, Alessandro, Helleckes, Laura, Gosรกlbez, Gonzalo Guillรฉn, Chanona, Antonio del Rio, Mercangรถz, Mehmet
This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation. The framework is extended in two directions: constrained optimization is addressed by incorporating the posterior probability of satisfying output specification limits as an explicit Pareto objective, computed analytically from the GP posterior distribution; robust optimization is addressed by a Monte Carlo sampling strategy that estimates expected lower-confidence performance over a user-defined variability of input perturbations, capturing performance degradation under likely implementation deviations. The resulting multi-dimensional Pareto representation renders trade-offs between predicted performance, model uncertainty, probabilistic constraint satisfaction, and input robustness simultaneously visible through pairwise two-dimensional projections on an interactive dashboard, enabling selection criteria to be iteratively refined as the surrogate model improves and development objectives evolve. The framework is showcased on an eight-dimensional fed-batch Chinese Hamster Ovary (CHO) cell culture simulator demonstrating systematic identification of high-performing, feasibility-compliant, and perturbation-resilient operating conditions, and illustrating how expert-defined requirements provide a principled stopping criterion and support informed allocation of experimental resources.
Bridging Data Gaps in Structural Fragility Modeling through Transfer Learning: Methodology and Case Studies
Saeednejad, Narges, Padgett, Jamie Ellen
This paper presents a methodology-centered transfer learning framework for fragility adaptation under domain shift, class imbalance, and scarce target labels while preserving engineering interpretability and supporting decision-making under uncertainty. Four transfer learning strategies (instance-based, parameter-based, hierarchical Bayesian, and multi-source) are demonstrated through three complementary case studies: (i) instance-based transfer learning via importance weighting, demonstrated on coastal bridge fragility using Hurricane Katrina observations; (ii) parameter-based transfer learning together with hierarchical Bayesian transfer learning, enabling partial pooling across strata and posterior uncertainty quantification, demonstrated on residential building fragility using Hurricane Ian observations; and (iii) multi-source transfer learning that fuses multiple analytical fragility models with learned source weights and regularized target-domain adaptation, demonstrated on seismic bridge fragility using observations from the 2001 Nisqually earthquake. Across these case studies, direct transfer of source models (i.e. using existing state-of-the-art models) fails under domain shift and severe class imbalance, while targeted adaptation substantially improves failure detection and predictive stability in low-data regimes. These findings highlight the need for systematic guidance on diagnostics, strategy selection, and uncertainty reporting when developing and adapting fragility models.
Uncertainty Quantification of Engineering Structures by Polynomial Chaos Expansion and Multivariate Active Learning
Lu, Qitian, Jafari-Asl, Jafar, Spyridis, Panagiotis, Novak, Lukas
In many engineering applications, a single high-fidelity model produces multiple quantities of interest (QoIs) under the same input parameters, e.g. finite element models of complex physical systems. To alleviate the high computational cost of direct model evaluations, surrogate models are widely used to construct efficient approximations of model responses. Naturally, the accuracy of surrogates strongly depends on the quality of the experimental design (ED). However, a single ED may not provide an adequate representation for all outputs simultaneously, especially when different outputs exhibit varying sensitivities to the input variables. A straightforward solution is to perform separate sampling for each output, but this results in increased sampling complexity and computational cost. From a statistical perspective, such an approach also ignores potential correlations among all outputs and may compromise data consistency. To address this issue, an adaptive sequential sampling method for constructing polynomial chaos expansion surrogate models is generalized for vector valued QoIs. The method sequentially selects new samples from a candidate pool based on their local contribution to the output variance, while balancing distance-based exploration of the input space and exploitation of aggregated variance information across all outputs. Its performance is compared with non-sequential Latin Hypercube Sampling through several numerical examples from engineering problems. Numerical results demonstrate that the proposed strategy improves both surrogate accuracy and stability, and provides a more reliable estimation of second-order statistics.
All that structure matches does not glitter
Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends critically on robust benchmarks and minimal, information-rich datasets that enable meaningful model evaluation. This paper critically examines common datasets and reported metrics for a crystal structure prediction task--generating the most likely structures given the chemical composition of a material. We focus on three key issues: First, materials datasets should contain unique crystal structures; for example, we show that the widely-utilized carbon-24 dataset only contains 40%unique structures. Second, materials datasets should not be split randomly if polymorphs of many different compositions are numerous, which we find to be the case for the perov-5 and MP-20 datasets.
KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
Tthesehe challenges, we introduce cKnoarbwMol-100K,oxylate group and the polarizable sulfur atom, methylsulfanyl group attaalarchge-scaed tole tdatasethe sixwithth c100Karbofine-grainedn and molecular annotations Theacross polamriultiplety of the molecule is increased by the polar verum with data available.