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Jul 2

Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study

Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically described by an inverse correlation with high refractive index appearing in small gap materials and vice-versa. Here, we conduct a first-principles high-throughput study on more than 4000 semiconductors (with a special focus on oxides). Our data confirm the general inverse trend between refractive index and band gap but interesting outliers are also identified. The data are then analyzed through a simple model involving two main descriptors: the average optical gap and the effective frequency. The former can be determined directly from the electronic structure of the compounds, but the latter cannot. This calls for further analysis in order to obtain a predictive model. Nonetheless, it turns out that the negative effect of a large band gap on the refractive index can counterbalanced in two ways: (i) by limiting the difference between the direct band gap and the average optical gap which can be realized by a narrow distribution in energy of the optical transitions and (ii) by increasing the effective frequency which can be achieved through either a high number of transitions from the top of the valence band to the bottom of the conduction or a high average probability for these transitions. Focusing on oxides, we use our data to investigate how the chemistry influences this inverse relationship and rationalize why certain classes of materials would perform better. Our findings can be used to search for new compounds in many optical applications both in the linear and non-linear regime (waveguides, optical modulators, laser, frequency converter, etc.).

  • 6 authors
·
Sep 4, 2018

First systematic study reporting the changes in eclipse cut-off frequency for pulsar J1544+4937

We present results from a long-term monitoring of frequency dependent eclipses of the radio emission from PSR J1544+4937 which is a ``black widow spider'' millisecond pulsar (MSP) in a compact binary system. The majority of such systems often exhibit relatively long duration radio eclipses caused by ablated material from their companion stars. With the wide spectral bandwidth of upgraded Giant Metrewave Radio Telescope (uGMRT), we present first systematic study of temporal variation of eclipse cut-off frequency. With decade-long monitoring of 39 eclipses for PSR J1544+4937, we notice significant changes in the observed cut-off frequency ranging from 343 pm 7 MHz to > 740 MHz. We also monitored changes in eclipse cut-off frequency on timescales of tens of days and observed a maximum change of ge 315 MHz between observations that were separated by 22 days. In addition, we observed a change of sim 47 MHz in eclipse cut-off frequency between adjacent orbits, i.e. on timescales of sim 2.9 hours. We infer that such changes in the eclipse cut-off frequency depict an eclipse environment for the PSR J1544+4937 system that is dynamically evolving, where, along with the change in electron density, the magnetic field could also be varying. We also report a significant correlation between the eclipse cut-off frequency and the mass loss rate of the companion. This study provides the first direct evidence of mass loss rate affecting the frequency dependent eclipsing in a spider MSP.

  • 6 authors
·
Nov 3, 2023

Third Data Release of the Hyper Suprime-Cam Subaru Strategic Program

The paper presents the third data release of Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP), a wide-field multi-band imaging survey with the Subaru 8.2m telescope. HSC-SSP has three survey layers (Wide, Deep, and UltraDeep) with different area coverages and depths, designed to address a wide array of astrophysical questions. This third release from HSC-SSP includes data from 278 nights of observing time and covers about 670 square degrees in all five broad-band filters at the full depth (sim26~mag at 5σ) in the Wide layer. If we include partially observed area, the release covers 1,470 square degrees. The Deep and UltraDeep layers have sim80% of the originally planned integration times, and are considered done, as we have slightly changed the observing strategy in order to compensate for various time losses. There are a number of updates in the image processing pipeline. Of particular importance is the change in the sky subtraction algorithm; we subtract the sky on small scales before the detection and measurement stages, which has significantly reduced false detections. Thanks to this and other updates, the overall quality of the processed data has improved since the previous release. However, there are limitations in the data (for example, the pipeline is not optimized for crowded fields), and we encourage the user to check the quality assurance plots as well as a list of known issues before exploiting the data. The data release website is https://hsc-release.mtk.nao.ac.jp/.

  • 67 authors
·
Aug 29, 2021

Contextual Bandits with Online Neural Regression

Recent works have shown a reduction from contextual bandits to online regression under a realizability assumption [Foster and Rakhlin, 2020, Foster and Krishnamurthy, 2021]. In this work, we investigate the use of neural networks for such online regression and associated Neural Contextual Bandits (NeuCBs). Using existing results for wide networks, one can readily show a {O}(T) regret for online regression with square loss, which via the reduction implies a {O}(K T^{3/4}) regret for NeuCBs. Departing from this standard approach, we first show a O(log T) regret for online regression with almost convex losses that satisfy QG (Quadratic Growth) condition, a generalization of the PL (Polyak-\L ojasiewicz) condition, and that have a unique minima. Although not directly applicable to wide networks since they do not have unique minima, we show that adding a suitable small random perturbation to the network predictions surprisingly makes the loss satisfy QG with unique minima. Based on such a perturbed prediction, we show a {O}(log T) regret for online regression with both squared loss and KL loss, and subsequently convert these respectively to mathcal{O}(KT) and mathcal{O}(KL^* + K) regret for NeuCB, where L^* is the loss of the best policy. Separately, we also show that existing regret bounds for NeuCBs are Omega(T) or assume i.i.d. contexts, unlike this work. Finally, our experimental results on various datasets demonstrate that our algorithms, especially the one based on KL loss, persistently outperform existing algorithms.

  • 5 authors
·
Dec 12, 2023

Bridging Online and Offline RL: Contextual Bandit Learning for Multi-Turn Code Generation

Recently, there have been significant research interests in training large language models (LLMs) with reinforcement learning (RL) on real-world tasks, such as multi-turn code generation. While online RL tends to perform better than offline RL, its higher training cost and instability hinders wide adoption. In this paper, we build on the observation that multi-turn code generation can be formulated as a one-step recoverable Markov decision process and propose contextual bandit learning with offline trajectories (Cobalt), a new method that combines the benefits of online and offline RL. Cobalt first collects code generation trajectories using a reference LLM and divides them into partial trajectories as contextual prompts. Then, during online bandit learning, the LLM is trained to complete each partial trajectory prompt through single-step code generation. Cobalt outperforms two multi-turn online RL baselines based on GRPO and VeRPO, and substantially improves R1-Distill 8B and Qwen3 8B by up to 9.0 and 6.2 absolute Pass@1 scores on LiveCodeBench. Also, we analyze LLMs' in-context reward hacking behaviors and augment Cobalt training with perturbed trajectories to mitigate this issue. Overall, our results demonstrate Cobalt as a promising solution for iterative decision-making tasks like multi-turn code generation. Our code and data are available at https://github.com/OSU-NLP-Group/cobalt.

Robust diffraction-limited NIR-to-NUV wide-field imaging from stratospheric balloon-borne platforms -- SuperBIT science telescope commissioning flight & performance

At a fraction the total cost of an equivalent orbital mission, scientific balloon-borne platforms, operating above 99.7% of the Earth's atmosphere, offer attractive, competitive, and effective observational capabilities -- namely space-like resolution, transmission, and backgrounds -- that are well suited for modern astronomy and cosmology. SuperBIT is a diffraction-limited, wide-field, 0.5 m telescope capable of exploiting these observing conditions in order to provide exquisite imaging throughout the near-IR to near-UV. It utilizes a robust active stabilization system that has consistently demonstrated a 1 sigma sky-fixed pointing stability at 48 milliarcseconds over multiple 1 hour observations at float. This is achieved by actively tracking compound pendulations via a three-axis gimballed platform, which provides sky-fixed telescope stability at < 500 milliarcseconds and corrects for field rotation, while employing high-bandwidth tip/tilt optics to remove residual disturbances across the science imaging focal plane. SuperBIT's performance during the 2019 commissioning flight benefited from a customized high-fidelity science-capable telescope designed with exceptional thermo- and opto-mechanical stability as well as tightly constrained static and dynamic coupling between high-rate sensors and telescope optics. At the currently demonstrated level of flight performance, SuperBIT capabilities now surpass the science requirements for a wide variety of experiments in cosmology, astrophysics and stellar dynamics.

  • 29 authors
·
Nov 25, 2019

Euclid: Improving redshift distribution reconstruction using a deep-to-wide transfer function

The Euclid mission seeks to understand the Universe expansion history and the nature of dark energy, which requires a very accurate estimate of redshift distribution. Achieving this accuracy relies on reference samples with spectroscopic redshifts, together with a procedure to match them to survey sources for which only photometric redshifts are available. One important source of systematic uncertainty is the mismatch in photometric properties between galaxies in the Euclid survey and the reference objects. We develop a method to degrade the photometry of objects with deep photometry to match the properties of any shallower survey in the multi-band photometric space, preserving all the correlations between the fluxes and their uncertainties. We compare our transfer method with more demanding image-based methods, such as Balrog from the Dark Energy Survey Collaboration. According to metrics, our method outperforms Balrog. We implement it in the redshift distribution reconstruction, based on the self-organising map approach of arXiv:1509.03318, and test it using a realistic sample from the Euclid Flagship Simulation. We find that the key ingredient is to ensure that the reference objects are distributed in the colour space the same way as the wide-survey objects, which can be efficiently achieved with our transfer method. In our best implementation, the mean redshift biases are consistently reduced across the tomographic bins, bringing a significant fraction of them within the Euclid accuracy requirements in all tomographic bins. Equally importantly, the tests allow us to pinpoint which step in the calibration pipeline has the strongest impact on achieving the required accuracy. Our approach also reproduces the overall redshift distributions, which are crucial for applications such as angular clustering.

  • 168 authors
·
Jan 5

Kolmogorov-Arnold Neural Networks for High-Entropy Alloys Design

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.

  • 3 authors
·
Oct 10, 2024

Is C4 Dataset Optimal for Pruning? An Investigation of Calibration Data for LLM Pruning

Network pruning has emerged as a potential solution to make LLMs cheaper to deploy. However, existing LLM pruning approaches universally rely on the C4 dataset as the calibration data for calculating pruning scores, leaving its optimality unexplored. In this study, we evaluate the choice of calibration data on LLM pruning, across a wide range of datasets that are most commonly used in LLM training and evaluation, including four pertaining datasets as well as three categories of downstream tasks encompassing nine datasets. Each downstream dataset is prompted with In-Context Learning (ICL) and Chain-of-Thought (CoT), respectively. Besides the already intriguing observation that the choice of calibration data significantly impacts the performance of pruned LLMs, our results also uncover several subtle and often unexpected findings, summarized as follows: (1) C4 is not the optimal choice for LLM pruning, even among commonly used pre-training datasets; (2) arithmetic datasets, when used as calibration data, performs on par or even better than pre-training datasets; (3) pruning with downstream datasets does not necessarily help the corresponding downstream task, compared to pre-training data; (4) ICL is widely beneficial to all data categories, whereas CoT is only useful on certain tasks. Our findings shed light on the importance of carefully selecting calibration data for LLM pruning and pave the way for more efficient deployment of these powerful models in real-world applications. We release our code at: https://github.com/abx393/llm-pruning-calibration-data.

  • 8 authors
·
Oct 8, 2024

Spatial-frequency channels, shape bias, and adversarial robustness

What spatial frequency information do humans and neural networks use to recognize objects? In neuroscience, critical band masking is an established tool that can reveal the frequency-selective filters used for object recognition. Critical band masking measures the sensitivity of recognition performance to noise added at each spatial frequency. Existing critical band masking studies show that humans recognize periodic patterns (gratings) and letters by means of a spatial-frequency filter (or "channel'') that has a frequency bandwidth of one octave (doubling of frequency). Here, we introduce critical band masking as a task for network-human comparison and test 14 humans and 76 neural networks on 16-way ImageNet categorization in the presence of narrowband noise. We find that humans recognize objects in natural images using the same one-octave-wide channel that they use for letters and gratings, making it a canonical feature of human object recognition. On the other hand, the neural network channel, across various architectures and training strategies, is 2-4 times as wide as the human channel. In other words, networks are vulnerable to high and low frequency noise that does not affect human performance. Adversarial and augmented-image training are commonly used to increase network robustness and shape bias. Does this training align network and human object recognition channels? Three network channel properties (bandwidth, center frequency, peak noise sensitivity) correlate strongly with shape bias (53% variance explained) and with robustness of adversarially-trained networks (74% variance explained). Adversarial training increases robustness but expands the channel bandwidth even further away from the human bandwidth. Thus, critical band masking reveals that the network channel is more than twice as wide as the human channel, and that adversarial training only increases this difference.

  • 4 authors
·
Sep 22, 2023

Overview of the SDSS-IV MaNGA Survey: Mapping Nearby Galaxies at Apache Point Observatory

We present an overview of a new integral field spectroscopic survey called MaNGA (Mapping Nearby Galaxies at Apache Point Observatory), one of three core programs in the fourth-generation Sloan Digital Sky Survey (SDSS-IV) that began on 2014 July 1. MaNGA will investigate the internal kinematic structure and composition of gas and stars in an unprecedented sample of 10,000 nearby galaxies. We summarize essential characteristics of the instrument and survey design in the context of MaNGA's key science goals and present prototype observations to demonstrate MaNGA's scientific potential. MaNGA employs dithered observations with 17 fiber-bundle integral field units that vary in diameter from 12" (19 fibers) to 32" (127 fibers). Two dual-channel spectrographs provide simultaneous wavelength coverage over 3600-10300 A at R~2000. With a typical integration time of 3 hr, MaNGA reaches a target r-band signal-to-noise ratio of 4-8 (per A, per 2" fiber) at 23 AB mag per sq. arcsec, which is typical for the outskirts of MaNGA galaxies. Targets are selected with stellar mass greater than 1e9 Msun using SDSS-I redshifts and i-band luminosity to achieve uniform radial coverage in terms of the effective radius, an approximately flat distribution in stellar mass, and a sample spanning a wide range of environments. Analysis of our prototype observations demonstrates MaNGA's ability to probe gas ionization, shed light on recent star formation and quenching, enable dynamical modeling, decompose constituent components, and map the composition of stellar populations. MaNGA's spatially resolved spectra will enable an unprecedented study of the astrophysics of nearby galaxies in the coming 6 yr.

  • 68 authors
·
Dec 3, 2014

MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i) limited availability of materials data as compared to other fields, (ii) lack of universal descriptor of materials to predict its various properties. The limited availability of materials data can be addressed through transfer learning, while the generic representation was recently addressed by Xie and Grossman [1], where they developed a crystal graph convolutional neural network (CGCNN) that provides a unified representation of crystals. In this work, we develop a new model (MT-CGCNN) by integrating CGCNN with transfer learning based on multi-task (MT) learning. We demonstrate the effectiveness of MT-CGCNN by simultaneous prediction of various material properties such as Formation Energy, Band Gap and Fermi Energy for a wide range of inorganic crystals (46774 materials). MT-CGCNN is able to reduce the test error when employed on correlated properties by upto 8%. The model prediction has lower test error compared to CGCNN, even when the training data is reduced by 10%. We also demonstrate our model's better performance through prediction of end user scenario related to metal/non-metal classification. These results encourage further development of machine learning approaches which leverage multi-task learning to address the aforementioned challenges in the discovery of new materials. We make MT-CGCNN's source code available to encourage reproducible research.

  • 7 authors
·
Nov 14, 2018

Towards Scalable Foundation Model for Multi-modal and Hyperspectral Geospatial Data

Geospatial raster data, such as that collected by satellite-based imaging systems at different times and spectral bands, hold immense potential for enabling a wide range of high-impact applications. This potential stems from the rich information that is spatially and temporally contextualized across multiple channels and sensing modalities. Recent work has adapted existing self-supervised learning approaches for such geospatial data. However, they fall short of scalable model architectures, leading to inflexibility and computational inefficiencies when faced with an increasing number of channels and modalities. To address these limitations, we introduce Low-rank Efficient Spatial-Spectral Vision Transformer with three key innovations: i) the LESS Attention Block that approximates high-dimensional spatial-spectral attention through Kronecker's product of the low-dimensional spatial and spectral attention components; ii) the Continuous Positional-Channel Embedding Layer that preserves both the continuity and physical characteristics of each spatial-spectral patch; and iii) the Perception Field Mask that exploits local spatial dependencies by constraining attention to neighboring patches. To evaluate the proposed innovations, we construct GFM-Bench, which serves as a comprehensive benchmark for such geospatial raster data. We pretrain LESS ViT using a Hyperspectral Masked Autoencoder framework with integrated positional and channel masking strategies. Experimental results demonstrate that our proposed method achieves competitive performance against state-of-the-art multi-modal geospatial foundation models while outperforming them on cross-satellite generalization tasks with higher computational efficiency. The flexibility and extensibility of our framework make it a promising direction for future geospatial data analysis tasks that involve a wide range of modalities and channels.

  • 6 authors
·
Mar 17, 2025