Materials
SciArena: An Open Evaluation Platform for Non-Verifiable Scientific Literature-Grounded Tasks
Unlike traditional benchmarks for scientific literature understanding and synthesis, SciArena engages the research community directly, following the Chatbot Arena evaluation approach of community voting on model comparisons. By leveraging collective intelligence, SciArena offers a community-driven evaluation of model performance on open-ended scientific tasks that demand literature-grounded, long-form responses. The platform currently supports 47 foundation models and has collected over 20,000 votes from human researchers across diverse scientific domains. Our analysis of the data collected so far confirms its high quality. We discuss the results and insights based on the model ranking leaderboard. To further promote research in building modelbased automated evaluation systems for literature tasks, we release SciArena-Eval, a meta-evaluation benchmark based on collected preference data. It measures the accuracy of models in judging answer quality by comparing their pairwise assessments with human votes. Our experiments highlight the benchmark's challenges and emphasize the need for more reliable automated evaluation methods.
MOOSE-Chem2: Exploring LLMLimits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search
Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.1
FlashMD long stride universal prediction of molecular dynamics
Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of such a long-stride MD approach. We validate FlashMD's accuracy in reproducing equilibrium and time-dependent properties, using both system-specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.
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.
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.