Despite recent advances in machine learning, many scientific discoveries in chemistry still rely on manually curated datasets extracted from the scientific literature. Automation of information extraction in specialized chemistry domains has the potential to scale up machine learning applications and improve the quality of predictions, enabling data-driven scientific discoveries at a faster pace. In this paper, we present ChemX, a collection of 10 benchmarking datasets across several domains of chemistry providing a reliable basis for evaluating and fine-tuning automated information extraction methods. The datasets encompassing various properties of small molecules and nanomaterials have been manually extracted from peer-reviewed publications and systematically validated by domain experts through a cross-verification procedure allowing for identification and correction of errors at sources. In order to demonstrate the utility of the resulting datasets, we evaluate the extraction performance of the state-of-the-art large language models (LLMs). Moreover, we design our own agentic approach to take full control of the document preprocessing before LLM-based information extraction.

The emergence of advanced multimodal large language models (MLLMs) has significantly enhanced AI assistants' ability to process complex information across modalities. Recently, egocentric videos, by directly capturing user focus, actions, and context in an unified coordinate, offer an exciting opportunity to enable proactive and personalized AI user experiences with MLLMs. However, existing benchmarks overlook the crucial role of gaze as an indicator of user intent. To address this gap, we introduce EgoGazeVQA, an egocentric gaze-guided video question answering benchmark that leverages gaze information to improve the understanding of longer daily-life videos. EgoGazeVQA consists of gaze-based QA pairs generated by MLLMs and refined by human annotators. Our experiments reveal that existing MLLMs struggle to accurately interpret user intentions. In contrast, our gaze-guided intent prompting methods significantly enhance performance by integrating spatial, temporal, and intent-related cues. We further conduct experiments on gaze-related fine-tuning and analyze how gaze estimation accuracy impacts prompting effectiveness. These results underscore the value of gaze for more personalized and effective AI assistants in egocentric settings.

As the adoption of Generative AI in real-world services grow explosively, energy has emerged as a critical bottleneck resource. However, energy remains a metric that is often overlooked, under-explored, or poorly understood in the context of building ML systems. We present the ML.ENERGY Benchmark, a benchmark suite and tool for measuring inference energy consumption under realistic service environments, and the corresponding ML.ENERGY Leaderboard, which have served as a valuable resource for those hoping to understand and optimize the energy consumption of their generative AI services. In this paper, we explain four key design principles for benchmarking ML energy we have acquired over time, and then describe how they are implemented in the ML.ENERGY Benchmark. We then highlight results from the early 2025 iteration of the benchmark, including energy measurements of 40 widely used model architectures across 6 different tasks, case studies of how ML design choices impact energy consumption, and how automated optimization recommendations can lead to significant (sometimes more than 40%) energy savings without changing what is being computed by the model. The ML.ENERGY Benchmark is open-source and can be easily extended to various customized models and application scenarios.

Dense image correspondence is central to many applications, such as visual odometry, 3D reconstruction, object association, and re-identification. Historically, dense correspondence has been tackled separately for wide-baseline scenarios and optical flow estimation, despite the common goal of matching content between two images. In this paper, we develop a Unified Flow & Matching model (UFM), which is trained on unified data for pixels that are co-visible in both source and target images. UFM uses a simple, generic transformer architecture that directly regresses the (u,v)flow. It is easier to train and more accurate for large flows compared to the typical coarse-to-fine cost volumes in prior work. UFM is 28% more accurate than state-of-the-art flow methods (Unimatch), while also having 62% less error and 6.7x faster than dense wide-baseline matchers (RoMa). UFM is the first to demonstrate that unified training can outperform specialized approaches across both domains. This result enables fast, general-purpose correspondence and opens new directions for multi-modal, long-range, and real-time correspondence tasks.

Fine-tuning large language models (LLMs) using diverse datasets is crucial for enhancing their overall performance across various domains. In practical scenarios, existing methods based on modeling the mixture proportions of data composition often struggle with data whose domain labels are missing, imprecise or nonnormalized, while methods based on data selection usually encounter difficulties in balancing multi-domain performance. To address these challenges, in this work, we investigate the role of data diversity in enhancing the overall abilities of LLMs by empirically constructing contrastive data pools and theoretically deriving explanations. Building upon the insights gained, we propose a new method that gives the LLM a dual identity: an output model to cognitively probe and select data based on diversity reward, as well as an input model to be tuned with the selected data. Extensive experiments show that the proposed method notably boosts performance across domain-undetermined data and a series of foundational downstream tasks when applied to various advanced LLMs. We release our code and hope this study can shed light on the understanding of data diversity and advance feedback-driven data-model co-design for LLMs.

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies have explored the integration of MRL with LLMs and achieved promising results. However, the increasing availability of diverse LLMs and molecular structure encoders has significantly expanded the model space, presenting major challenges for benchmarking. Currently, there is no LLM framework that supports both flexible molecular input formats and dynamic architectural switching. To address these challenges, reduce redundant coding, and ensure fair model comparison, we propose ModuLM, a framework designed to support flexible LLM-based model construction and diverse molecular representations. ModuLM provides a rich suite of modular components, including 8 types of 2D molecular graph encoders, 11 types of 3D molecular conformation encoders, 7 types of interaction layers, and 7 mainstream LLM backbones. Owing to its highly flexible model assembly mechanism, ModuLM enables the dynamic construction of over 50,000 distinct model configurations. In addition, we provide comprehensive results to demonstrate the effectiveness of ModuLM in supporting LLM-based MRL tasks.

Recent studies show that LLMs possess different skills and specialize in different tasks. In fact, we observe that their varied performance occur in several levels of granularity. For example, in the code optimization task, code LLMs excel at different optimization categories and no one dominates others. This observation prompts the question of how one leverages multiple LLM agents to solve a coding problem without knowing their complementary strengths a priori. We argue that a team of agents can learn from each other's successes and failures so as to improve their own performance. Thus, a lesson is the knowledge produced by an agent and passed on to other agents in the collective solution process.

The following section is answers to questions listed in datasheets for datasets.858 A.1 Motivation859 Question: For what purpose was the dataset created? Was there a specific task in mind?860 Was there a specific gap that needed to be filled? Answer: To evaluate the linguistic robustness of language models across diverse English862 varieties by transforming Standard American English (SAE) datasets.863 Question: Who created the dataset (e.g., which team, research group) and on behalf of864 which entity (e.g., company, institution, organization)?865 Answer: The authors of this paper.866 Question: Who funded the creation of the dataset? If there is an associated grant, please867 provide the name of the grantor and the grant name and number.868

Large Language Models (LLMs) are predominantly evaluated on Standard American English (SAE), often overlooking the diversity of global English varieties. This narrow focus may raise fairness concerns as degraded performance on nonstandard varieties can lead to unequal benefits for users worldwide. Therefore, it is critical to extensively evaluate the linguistic robustness of LLMs on multiple non-standard English varieties. We introduce Trans-EnV, a framework that automatically transforms SAE datasets into multiple English varieties to evaluate the linguistic robustness. Our framework combines (1) linguistics expert knowledge to curate variety-specific features and transformation guidelines from linguistic literature and corpora, and (2) LLM-based transformations to ensure both linguistic validity and scalability. Using Trans-EnV, we transform six benchmark datasets into 38 English varieties and evaluate seven state-of-the-art LLMs. Our results reveal significant performance disparities, with accuracy decreasing by up to 46.3% on non-standard varieties.

We study the use of Process Reward Models (PRMs) for guiding Long Chain-ofThought (CoT) reasoning in large language models. Although PRMs deliver finegrained feedback in standard tasks, PRM-guided beam search does not consistently outperform PRM-free approaches in long CoT reasoning. We trace this shortfall to a "step quality degradation"--the expected step quality shows concave behavior, yielding unimodal or monotonically declining trends. To counteract this, we propose Z-Score Guided Early Stopping (ZGES), which halts search at the detected quality peak using local PRM-reward z-scores. Across multiple math benchmarks and model scales, ZGES outperforms both standard PRM-guided beam search and the PRM-free methods.