Energy
A large-scale, unsupervised pipeline for automatic corpus annotation using LLMs: variation and change in the English consider construction
Morin, Cameron, Larsson, Matti Marttinen
As natural language corpora expand at an unprecedented rate, manual annotation remains a significant methodological bottleneck in corpus linguistic work. We address this challenge by presenting a scalable, unsupervised pipeline for automating grammatical annotation in voluminous corpora using large language models (LLMs). Unlike previous supervised and iterative approaches, our method employs a four-phase workflow: prompt engineering, pre-hoc evaluation, automated batch processing, and post-hoc validation. We demonstrate the pipeline's accessibility and effectiveness through a diachronic case study of variation in the English consider construction. Using GPT-5 through the OpenAI API, we annotate 143,933 sentences from the Corpus of Historical American English (COHA) in under 60 hours, achieving 98%+ accuracy on two sophisticated annotation procedures. Our results suggest that LLMs can perform a range of data preparation tasks at scale with minimal human intervention, opening new possibilities for corpus-based research, though implementation requires attention to costs, licensing, and other ethical considerations.
The Living Forecast: Evolving Day-Ahead Predictions into Intraday Reality
Bölat, Kutay, Palensky, Peter, Tindemans, Simon
Accurate intraday forecasts are essential for power system operations, complementing day-ahead forecasts that gradually lose relevance as new information becomes available. This paper introduces a Bayesian updating mechanism that converts fully probabilistic day-ahead forecasts into intraday forecasts without retraining or re-inference. The approach conditions the Gaussian mixture output of a conditional variational autoencoder-based forecaster on observed measurements, yielding an updated distribution for the remaining horizon that preserves its probabilistic structure. This enables consistent point, quantile, and ensemble forecasts while remaining computationally efficient and suitable for real-time applications. Experiments on household electricity consumption and photovoltaic generation datasets demonstrate that the proposed method improves forecast accuracy up to 25% across likelihood-, sample-, quantile-, and point-based metrics. The largest gains occur in time steps with strong temporal correlation to observed data, and the use of pattern dictionary-based covariance structures further enhances performance. The results highlight a theoretically grounded framework for intraday forecasting in modern power systems.
ToPolyAgent: AI Agents for Coarse-Grained Topological Polymer Simulations
Ding, Lijie, Carrillo, Jan-Michael, Do, Changwoo
We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer-solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent condition, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.
Product-oriented Product-Process-Resource Asset Network and its Representation in AutomationML for Asset Administration Shell
Strakosova, Sara, Novak, Petr, Kadera, Petr
Abstract--Current products, especially in the automotive sector, pose complex technical systems having a multi-disciplinary mechatronic nature. Industrial standards supporting system engineering and production typically (i) address the production phase only, but do not cover the complete product life cycle, and (ii) focus on production processes and resources rather than the products themselves. The presented approach is motivated by incorporating the impacts of the end-of-life phase of the product life cycle into the engineering phase. This paper proposes a modeling approach coming up from the Product-Process-Resource (PPR) modeling paradigm. It combines requirements on (i) respecting the product structure as a basis for the model, and (ii) incorporates repairing, remanufacturing, or upcycling within cyber-physical production systems. The proposed model called PoPAN should accompany the product during the entire life cycle as a digital shadow encapsulated within the Asset Administration Shell of a product. T o facilitate the adoption of the proposed paradigm, the paper also proposes serialization of the model in the AutomationML data format. The model is demonstrated on a use-case for disassembling electric vehicle batteries to support their remanufacturing for stationary battery applications.
Large Language Models in Operations Research: Methods, Applications, and Challenges
Operations research (OR) is a core methodology that supports complex system decision-making, with broad applications in transportation, supply chain management, and production scheduling. However, traditional approaches that rely on expert-driven modeling and manual parameter tuning often struggle with large-scale, dynamic, and multi-constraint problems, limiting scalability and real-time applicability. Large language models (LLMs), with capabilities in semantic understanding, structured generation, and reasoning control, offer new opportunities to overcome these challenges. They can translate natural language problem descriptions into mathematical models or executable code, generate heuristics, evolve algorithms, and directly solve optimization tasks. This shifts the paradigm from human-driven processes to intelligent human-AI collaboration. This paper systematically reviews progress in applying LLMs to OR, categorizing existing methods into three pathways: automatic modeling, auxiliary optimization, and direct solving. It also examines evaluation benchmarks and domain-specific applications, and highlights key challenges, including unstable semantic-to-structure mapping, fragmented research, limited generalization and interpretability, insufficient evaluation systems, and barriers to industrial deployment. Finally, it outlines potential research directions. Overall, LLMs demonstrate strong potential to reshape the OR paradigm by enhancing interpretability, adaptability, and scalability, paving the way for next-generation intelligent optimization systems.
MoEs Are Stronger than You Think: Hyper-Parallel Inference Scaling with RoE
Zibakhsh, Soheil, Samragh, Mohammad, Nishu, Kumari, Hannah, Lauren, Kundu, Arnav, Cho, Minsik
The generation quality of large language models (LLMs) is often improved by utilizing inference-time sequence-level scaling methods (e.g., Chain-of-Thought). We introduce hyper-parallel scaling, a complementary framework that improves prediction quality at the token level. Hyper-parallel scaling computes and aggregates multiple output proposals for a single token from the model. We implement this concept in Mixture-of-Experts (MoE) models, which we refer to as Roster of Experts (RoE). RoE is a training-free inference algorithm that turns a single MoE into a dynamic ensemble of MoEs. RoE injects controlled stochasticity into the expert routing mechanism, enabling it to sample multiple diverse experts for each token and aggregate their outputs for a more accurate final prediction. To overcome the computational cost, we introduce an efficient batching strategy and a specialized KV -caching mechanism that minimizes compute and memory overhead. For example, RoE enables a 7B MoE model to match the performance of a 10.5B MoE model while using 30% less compute for inference. These gains are achieved without any fine-tuning of model parameters. Extensive data and substantial computational resources have fueled recent advancements in language models.
The Download: aging clocks, and repairing the internet
Plus: California's AI safety bill has passed into law Wrinkles and gray hairs aside, it can be difficult to know how well--or poorly--someone's body is truly aging. A person who develops age-related diseases earlier in life, or has other biological changes associated with aging, might be considered "biologically older" than a similar-age person who doesn't have those changes. Some 80-year-olds will be weak and frail, while others are fit and active. Over the past decade, scientists have been uncovering new methods of looking at the hidden ways our bodies are aging. And what they've found is changing our understanding of aging itself. Can we repair the internet?
Generative artificial intelligence improves projections of climate extremes
Tie, Ruian, Zhong, Xiaohui, Shi, Zhengyu, Li, Hao, Chen, Bin, Liu, Jun, Libo, Wu
Climate change is amplifying extreme weather and climate events worldwide [1]. Anthropogenic greenhouse gas emissions have disrupted the Earth's climate system, driving more frequent and severe heatwaves [2], cold spells [3], heavy precipitation [4], agricultural droughts [5], and tropical cyclones (TCs) [6]. Between 2016 and 2024, daily land temperature records show that extreme heat events occurred over four times more often than expected, while cold records declined by half [7]. These unprecedented shifts threaten human health [8, 9], infrastructure [10, 11], food security [12], biodiversity [13], and global economies [14, 15]. Therefore, reliable climate projections are essential for effective mitigation and adaptation strategies [16-18]. The Coupled Model Intercomparison Project (CMIP) [19] provides a foundation for global climate projections. Since its launch in 1995, CMIP has coordinated systematic evaluation of coupled general circulation models (GCMs). CMIP5 introduced Representative Concentration Pathways (RCPs), while CMIP6 extended this framework by incorporating Shared Socioeconomic Pathways (SSPs) through ScenarioMIP, enabling consistent simulations of emissions and socioeconomic trajectories to 2100 and facilitating integrated assessment of climate risks [20]. These advances have greatly enhanced the scientific and policy relevance of climate projections.
Load Balancing Mixture of Experts with Similarity Preserving Routers
Omi, Nabil, Sen, Siddhartha, Farhadi, Ali
Sparse Mixture of Experts (MoE) models offer a scalable and efficient architecture for training large neural networks by activating only a subset of parameters ("experts") for each input. A learned router computes a distribution over these experts, and assigns input tokens to a small subset. However, without auxiliary balancing mechanisms, routers often converge to using only a few experts, severely limiting model capacity and degrading performance. Most current load balancing mechanisms encourage a distribution over experts that resembles a roughly uniform distribution of experts per token. During training, this can result in inconsistent routing behavior, resulting in the model spending its capacity to learn redundant knowledge. We address this by introducing a novel load balancing loss that preserves token-wise relational structure, encouraging consistent expert choices for similar inputs during training. Our experimental results show that applying our loss to the router results in 36% faster convergence and lower redundancy compared to a popular load balancing loss.
mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Molecules
Edwards, Carl, Han, Chi, Lee, Gawon, Nguyen, Thao, Szymkuć, Sara, Prasad, Chetan Kumar, Jin, Bowen, Han, Jiawei, Diao, Ying, Liu, Ge, Peng, Hao, Grzybowski, Bartosz A., Burke, Martin D., Ji, Heng
Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").