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The Denario project: Deep knowledge AI agents for scientific discovery

arXiv.org Artificial Intelligence

We present Denario, an AI multi-agent system designed to serve as a scientific research assistant. Denario can perform many different tasks, such as generating ideas, checking the literature, developing research plans, writing and executing code, making plots, and drafting and reviewing a scientific paper. The system has a modular architecture, allowing it to handle specific tasks, such as generating an idea, or carrying out end-to-end scientific analysis using Cmbagent as a deep-research backend. In this work, we describe in detail Denario and its modules, and illustrate its capabilities by presenting multiple AI-generated papers generated by it in many different scientific disciplines such as astrophysics, biology, biophysics, biomedical informatics, chemistry, material science, mathematical physics, medicine, neuroscience and planetary science. Denario also excels at combining ideas from different disciplines, and we illustrate this by showing a paper that applies methods from quantum physics and machine learning to astrophysical data. We report the evaluations performed on these papers by domain experts, who provided both numerical scores and review-like feedback. We then highlight the strengths, weaknesses, and limitations of the current system. Finally, we discuss the ethical implications of AI-driven research and reflect on how such technology relates to the philosophy of science. We publicly release the code at https://github.com/AstroPilot-AI/Denario. A Denario demo can also be run directly on the web at https://huggingface.co/spaces/astropilot-ai/Denario, and the full app will be deployed on the cloud.


Mixture-of-Experts Operator Transformer for Large-Scale PDE Pre-Training

arXiv.org Artificial Intelligence

Pre-training has proven effective in addressing data scarcity and performance limitations in solving PDE problems with neural operators. However, challenges remain due to the heterogeneity of PDE datasets in equation types, which leads to high errors in mixed training. Additionally, dense pre-training models that scale parameters by increasing network width or depth incur significant inference costs. To tackle these challenges, we propose a novel Mixture-of-Experts Pre-training Operator Transformer (MoE-POT), a sparse-activated architecture that scales parameters efficiently while controlling inference costs. Specifically, our model adopts a layer-wise router-gating network to dynamically select 4 routed experts from 16 expert networks during inference, enabling the model to focus on equation-specific features. Meanwhile, we also integrate 2 shared experts, aiming to capture common properties of PDE and reduce redundancy among routed experts. The final output is computed as the weighted average of the results from all activated experts. We pre-train models with parameters from 30M to 0.5B on 6 public PDE datasets. Our model with 90M activated parameters achieves up to a 40% reduction in zero-shot error compared with existing models with 120M activated parameters. Additionally, we conduct interpretability analysis, showing that dataset types can be inferred from router-gating network decisions, which validates the rationality and effectiveness of the MoE architecture.


Towards a Generalizable AI for Materials Discovery: Validation through Immersion Coolant Screening

arXiv.org Artificial Intelligence

Artificial intelligence (AI) has emerged as a powerful accelerator of materials discovery, yet most existing models remain problem-specific, requiring additional data collection and retraining for each new property. Here we introduce and validate GATE (Geometrically Aligned Transfer Encoder) -- a generalizable AI framework that jointly learns 34 physicochemical properties spanning thermal, electrical, mechanical, and optical domains. By aligning these properties within a shared geometric space, GATE captures cross-property correlations that reduce disjoint-property bias -- a key factor causing false positives in multi-criteria screening. To demonstrate its generalizable utility, GATE -- without any problem-specific model reconfiguration -- applied to the discovery of immersion cooling fluids for data centers, a stringent real-world challenge defined by the Open Compute Project (OCP). Screening billions of candidates, GATE identified 92,861 molecules as promising for practical deployment. Four were experimentally or literarily validated, showing strong agreement with wet-lab measurements and performance comparable to or exceeding a commercial coolant. These results establish GATE as a generalizable AI platform readily applicable across diverse materials discovery tasks.


SVTime: Small Time Series Forecasting Models Informed by "Physics" of Large Vision Model Forecasters

arXiv.org Artificial Intelligence

Time series AI is crucial for analyzing dynamic web content, driving a surge of pre-trained large models known for their strong knowledge encoding and transfer capabilities across diverse tasks. However, given their energy-intensive training, inference, and hardware demands, using large models as a one-fits-all solution raises serious concerns about carbon footprint and sustainability. For a specific task, a compact yet specialized, high-performing model may be more practical and affordable, especially for resource-constrained users such as small businesses. This motivates the question: Can we build cost-effective lightweight models with large-model-like performance on core tasks such as forecasting? This paper addresses this question by introducing SVTime, a novel Small model inspired by large Vision model (LVM) forecasters for long-term Time series forecasting (LTSF). Recently, LVMs have been shown as powerful tools for LTSF. We identify a set of key inductive biases of LVM forecasters -- analogous to the "physics" governing their behaviors in LTSF -- and design small models that encode these biases through meticulously crafted linear layers and constraint functions. Across 21 baselines spanning lightweight, complex, and pre-trained large models on 8 benchmark datasets, SVTime outperforms state-of-the-art (SOTA) lightweight models and rivals large models with 10^3 fewer parameters than LVMs, while enabling efficient training and inference in low-resource settings.


Game Theoretic Resilience Recommendation Framework for CyberPhysical Microgrids Using Hypergraph MetaLearning

arXiv.org Artificial Intelligence

This paper presents a physics-aware cyberphysical resilience framework for radial microgrids under coordinated cyberattacks. The proposed approach models the attacker through a hypergraph neural network (HGNN) enhanced with model agnostic metalearning (MAML) to rapidly adapt to evolving defense strategies and predict high-impact contingencies. The defender is modeled via a bi-level Stackelberg game, where the upper level selects optimal tie-line switching and distributed energy resource (DER) dispatch using an Alternating Direction Method of Multipliers (ADMM) coordinator embedded within the Non-dominated Sorting Genetic Algorithm II (NSGA-II). The framework simultaneously optimizes load served, operational cost, and voltage stability, ensuring all post-defense states satisfy network physics constraints. The methodology is first validated on the IEEE 69-bus distribution test system with 12 DERs, 8 critical loads, and 5 tie-lines, and then extended to higher bus systems including the IEEE 123-bus feeder and a synthetic 300-bus distribution system. Results show that the proposed defense strategy restores nearly full service for 90% of top-ranked attacks, mitigates voltage violations, and identifies Feeder 2 as the principal vulnerability corridor. Actionable operating rules are derived, recommending pre-arming of specific tie-lines to enhance resilience, while higher bus system studies confirm scalability of the framework on the IEEE 123-bus and 300-bus systems.


Multimodal LLM-assisted Evolutionary Search for Programmatic Control Policies

arXiv.org Artificial Intelligence

Deep reinforcement learning has achieved impressive success in control tasks. However, its policies, represented as opaque neural networks, are often difficult for humans to understand, verify, and debug, which undermines trust and hinders real-world deployment. This work addresses this challenge by introducing a novel approach for programmatic control policy discovery, called Multimodal Large Language Model-assisted Evolutionary Search (MLES). MLES utilizes multimodal large language models as programmatic policy generators, combining them with evolutionary search to automate policy generation. It integrates visual feedback-driven behavior analysis within the policy generation process to identify failure patterns and guide targeted improvements, thereby enhancing policy discovery efficiency and producing adaptable, human-aligned policies. Experimental results demonstrate that MLES achieves performance comparable to Proximal Policy Optimization (PPO) across two standard control tasks while providing transparent control logic and traceable design processes. This approach also overcomes the limitations of predefined domain-specific languages, facilitates knowledge transfer and reuse, and is scalable across various tasks, showing promise as a new paradigm for developing transparent and verifiable control policies.


Large Language Models for Combinatorial Optimization of Design Structure Matrix

arXiv.org Artificial Intelligence

In complex engineering systems, the dependencies among components or development activities are often modeled and analyzed using Design Structure Matrix (DSM). Reorganizing elements within a DSM to minimize feedback loops and enhance modularity or process efficiency constitutes a challenging combinatorial optimization (CO) problem in engineering design and operations. As problem sizes increase and dependency networks become more intricate, traditional optimization methods that rely solely on mathematical heuristics often fail to capture the contextual nuances and struggle to deliver effective solutions. In this study, we explore the potential of Large Language Models (LLMs) to address such CO problems by leveraging their capabilities for advanced reasoning and contextual understanding. We propose a novel LLM-based framework that integrates network topology with contextual domain knowledge for iterative optimization of DSM sequencing-a common CO problem. Experiments on various DSM cases demonstrate that our method consistently achieves faster convergence and superior solution quality compared to both stochastic and deterministic baselines. Notably, incorporating contextual domain knowledge significantly enhances optimization performance regardless of the chosen LLM backbone. These findings highlight the potential of LLMs to solve complex engineering CO problems by combining semantic and mathematical reasoning. This approach paves the way towards a new paradigm in LLM-based engineering design optimization.


Climate Change Made Hurricane Melissa 4 Times More Likely, Study Suggests

WIRED

Unusually warm ocean temperatures fueled one of the worst hurricanes on record. New research finds climate change increased the storm's likelihood. Fueled by unusually warm waters, Hurricane Melissa this week turned into one of the strongest Atlantic storms ever recorded. Now a new rapid attribution study suggests human-induced climate change made the deadly tropical cyclone four times more likely. The storm, which reached Category 5, reserved for the hurricanes with the most powerful winds, has killed at least 40 people across the Caribbean so far.


Beware, beachgoers: New spider discovered in California's sand dunes

Popular Science

Environment Animals Wildlife Spiders Beware, beachgoers: New spider discovered in California's sand dunes Breakthroughs, discoveries, and DIY tips sent every weekday. Just in time for Halloween, researchers have identified a new species of trapdoor spider. The newly discovered is about the size of a quarter, brown, and pretty chunky. It's the fourth known species of trapdoor spiders in California whose habitat is limited to sandy coastal dunes. Female trapdoor spiders are basically vampires .


The world's largest plane will transport wind turbines blades and fighter jets

Popular Science

The world's largest plane will transport wind turbines blades and fighter jets When completed, the WindRunner will stretch the length of a football field. Rendering of what unloading blades in the desert could look like. Breakthroughs, discoveries, and DIY tips sent every weekday. A little-known company based in Boulder, Colorado, is pursuing an ambitious, borderline outlandish goal: creating the world's largest airplane. When completed, the incredibly long 108-meter plane (roughly the length of an NFL football field) is expected to have a wingspan of over 260 feet and could offer 12 times the cargo space of Boeing C-17 Globemaster III .