Daily Papers

We introduce the framework of model space into quantum imaginary time evolution (QITE) to enable stable estimation of ground and excited states using a quantum computer. Model-space QITE (MSQITE) propagates a model space to the exact one by retaining its orthogonality, and hence is able to describe multiple states simultaneously. The quantum Lanczos (QLanczos) algorithm is extended to MSQITE to accelerate the convergence. The present scheme is found to outperform both the standard QLanczos and the recently proposed folded-spectrum QITE in simulating excited states. Moreover, we demonstrate that spin contamination can be effectively removed by shifting the imaginary time propagator, and thus excited states with a particular spin quantum number are efficiently captured without falling into the different spin states that have lower energies. We also investigate how different levels of the unitary approximation employed in MSQITE can affect the results. The effectiveness of the algorithm over QITE is demonstrated by noise simulations for the H4 model system.

The rapidly evolving fields of Machine Learning (ML) and Artificial Intelligence have witnessed the emergence of platforms like Hugging Face (HF) as central hubs for model development and sharing. This experience report synthesizes insights from two comprehensive studies conducted on HF, focusing on carbon emissions and the evolutionary and maintenance aspects of ML models. Our objective is to provide a practical guide for future researchers embarking on mining software repository studies within the HF ecosystem to enhance the quality of these studies. We delve into the intricacies of the replication package used in our studies, highlighting the pivotal tools and methodologies that facilitated our analysis. Furthermore, we propose a nuanced stratified sampling strategy tailored for the diverse HF Hub dataset, ensuring a representative and comprehensive analytical approach. The report also introduces preliminary guidelines, transitioning from repository mining to cohort studies, to establish causality in repository mining studies, particularly within the ML model of HF context. This transition is inspired by existing frameworks and is adapted to suit the unique characteristics of the HF model ecosystem. Our report serves as a guiding framework for researchers, contributing to the responsible and sustainable advancement of ML, and fostering a deeper understanding of the broader implications of ML models.

In recent years, language models (LMs), such as GPT-4, have been widely used in multiple domains, including natural language processing, visualization, and so on. However, applying them for analyzing and optimizing high-performance computing (HPC) software is still challenging due to the lack of HPC-specific support. In this paper, we design the LM4HPC framework to facilitate the research and development of HPC software analyses and optimizations using LMs. Tailored for supporting HPC datasets, AI models, and pipelines, our framework is built on top of a range of components from different levels of the machine learning software stack, with Hugging Face-compatible APIs. Using three representative tasks, we evaluated the prototype of our framework. The results show that LM4HPC can help users quickly evaluate a set of state-of-the-art models and generate insightful leaderboards.

In this report, we introduce Falcon-H1, a new series of large language models (LLMs) featuring hybrid architecture designs optimized for both high performance and efficiency across diverse use cases. Unlike earlier Falcon models built solely on Transformer or Mamba architectures, Falcon-H1 adopts a parallel hybrid approach that combines Transformer-based attention with State Space Models (SSMs), known for superior long-context memory and computational efficiency. We systematically revisited model design, data strategy, and training dynamics, challenging conventional practices in the field. Falcon-H1 is released in multiple configurations, including base and instruction-tuned variants at 0.5B, 1.5B, 1.5B-deep, 3B, 7B, and 34B parameters. Quantized instruction-tuned models are also available, totaling over 30 checkpoints on Hugging Face Hub. Falcon-H1 models demonstrate state-of-the-art performance and exceptional parameter and training efficiency. The flagship Falcon-H1-34B matches or outperforms models up to 70B scale, such as Qwen3-32B, Qwen2.5-72B, and Llama3.3-70B, while using fewer parameters and less data. Smaller models show similar trends: the Falcon-H1-1.5B-Deep rivals current leading 7B-10B models, and Falcon-H1-0.5B performs comparably to typical 7B models from 2024. These models excel across reasoning, mathematics, multilingual tasks, instruction following, and scientific knowledge. With support for up to 256K context tokens and 18 languages, Falcon-H1 is suitable for a wide range of applications. All models are released under a permissive open-source license, underscoring our commitment to accessible and impactful AI research.

We release the Nemotron-4 340B model family, including Nemotron-4-340B-Base, Nemotron-4-340B-Instruct, and Nemotron-4-340B-Reward. Our models are open access under the NVIDIA Open Model License Agreement, a permissive model license that allows distribution, modification, and use of the models and its outputs. These models perform competitively to open access models on a wide range of evaluation benchmarks, and were sized to fit on a single DGX H100 with 8 GPUs when deployed in FP8 precision. We believe that the community can benefit from these models in various research studies and commercial applications, especially for generating synthetic data to train smaller language models. Notably, over 98% of data used in our model alignment process is synthetically generated, showcasing the effectiveness of these models in generating synthetic data. To further support open research and facilitate model development, we are also open-sourcing the synthetic data generation pipeline used in our model alignment process.

Hall-effect thrusters (HETs) are widely used for modern near-earth spacecraft propulsion and are vital for future deep-space missions. Methods of modeling HETs are developing rapidly. However, such methods are not yet precise enough and cannot reliably predict the parameters of a newly designed thruster, mostly due to the enormous computational cost of a HET plasma simulation. Another approach is to use scaling techniques based on available experimental data. This paper proposes an approach for scaling HETs using neural networks and other modern machine learning methods. The new scaling model was built with information from an extensive database of HET parameters collected from published papers. Predictions of the new scaling model are valid for the operating parameters domain covered by the database. During the design, this model can help HET developers estimate the performance of a newly-designed thruster. At the stage of experimental research, the model can be used to compare the achieved characteristics of the studied thruster with the level obtained by other developers. A comparison with the state-of-the-art HET scaling model is also presented.

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

Aims. We aim to investigate the influence of the distance to filaments and dark-matter haloes on galaxy cold-gas content in the empirical model NeutralUniverseMachine (NUM) and the hydrodynamical simulation IllustrisTNG. Methods. We used DisPerSE to identify cosmic web structures and calculate the distance of galaxies to filaments for both observations and models. We show the results of the HI and H2 mass functions, HI- and H2-halo-mass relations, HI- and H2-stellar-mass relations for galaxies in the NUM model and IllustrisTNG with different distances to filaments and compare them with observational measurements. We also show the evolution of HI and H2 mass densities at different distances to filament bins. Results. We find that how filaments affect the HI gas is generally less significant compared to the halo environment. There is a weak trend in the observations at z=0 that low-mass haloes lying closer to the filaments tend to have reduced HI masses. However, this trend reverses for massive haloes with log(Mvir/Msun) > 12.5. This behaviour is accurately reproduced in the NUM model due to the dependence of HI gas on the halo formation time, but it does not appear in IllustrisTNG. The influence of filaments on the HI gas becomes slightly weaker at higher redshifts and is only significant for galaxies that reside in massive haloes in the NUM model. Filaments have almost no impact on the H2-stellar-mass relation in both models, confirming that H2 is primarily determined by the galaxy stellar mass and star formation rate.