Miracle-dz/UniFAR-FTUs huggingface dataset:
Efficiency of neural quantum states in light of the quantum geometric tensor

Neural quantum state (NQS) ans\"atze have shown promise in variational Monte Carlo algorithms by their theoretical capability of representing any quantum state. However, the reason behind the practical improvement in their performance with an increase in the number of parameters is not fully understood. In this work, we systematically study the efficiency of restricted Boltzmann Machines (RBMs) to represent the ground states in different phases of the spin-1 bilinear-biquadratic model, as the hidden layer density $\alpha$ increases. We train our ansatz by minimizing two different loss functions: 1) energy, and 2) infidelity of the NQS ansatz w.r. t. that of the exact ground state. We observe that the accuracy of our ansatz saturates with $\alpha$ in both cases. We demonstrate that this can be explained by looking at the spectrum of the quantum geometric tensor (QGT). We find that the rank of the QGT saturates beyond a certain $\alpha$, and we emphasize that it corresponds to the \textit{dimension of the relevant manifold} for an optimized NQS. This provides a useful diagnostics for the practical representation power of an NQS ansatz.
Correlating Intrinsic Stellar Parameters with Mg ii Self-reversal Depths

The Mg ii h&k emission lines (2803, 2796 Å) are a useful tool for understanding stellar chromospheres and transition regions due to their intrinsic brightness, relatively low interstellar medium (ISM) absorption interference, and abundance of archival spectra available. Similar to other optically thick chromospheric emission lines such as H i Lyα, Mg ii emissions commonly present with a self-reversed line core, the depth and shape of which vary from star to star. We explore the relationship between self-reversal and the stellar atmosphere by investigating the extent to which fundamental stellar parameters affect self-reversal. We present a search for correlations between photospheric parameters such as effective temperature, surface gravity, and metallicity with the Mg ii k self-reversal depth for a group of 135 FGKM main-sequence stars with high-resolution near-ultraviolet spectra from the Hubble Space Telescope. We modeled the observed Mg ii k line profiles to correct for ISM attenuation and recover the depth of the emission line’s self-reversal in relation to the intensity of the line. We used the PHOENIX atmosphere code to homogeneously determine the stellar parameters by computing a suite of stellar atmosphere models that include a chromosphere and transition region, and using archival photometry to guide the models of each star. We quantify the sensitivity of the visible and near-infrared photometry to chromospheric and photospheric parameters. We find weak trends between Mg ii k self-reversal depth and age, rotation period, Mg ii luminosity, temperature, and mass. All stars in our sample older than ∼2 Gyr or rotating slower than ∼10 days exhibit self-reversal.
No Free Prune: Information-Theoretic Barriers to Pruning at Initialization

The existence of"lottery tickets"arXiv:1803.03635 at or near initialization raises the tantalizing question of whether large models are necessary in deep learning, or whether sparse networks can be quickly identified and trained without ever training the dense models that contain them. However, efforts to find these sparse subnetworks without training the dense model ("pruning at initialization") have been broadly unsuccessful arXiv:2009.08576. We put forward a theoretical explanation for this, based on the model's effective parameter count, $p_\text{eff}$, given by the sum of the number of non-zero weights in the final network and the mutual information between the sparsity mask and the data. We show the Law of Robustness of arXiv:2105.12806 extends to sparse networks with the usual parameter count replaced by $p_\text{eff}$, meaning a sparse neural network which robustly interpolates noisy data requires a heavily data-dependent mask. We posit that pruning during and after training outputs masks with higher mutual information than those produced by pruning at initialization. Thus two networks may have the same sparsities, but differ in effective parameter count based on how they were trained. This suggests that pruning near initialization may be infeasible and explains why lottery tickets exist, but cannot be found fast (i.e. without training the full network). Experiments on neural networks confirm that information gained during training may indeed affect model capacity.
SPARQL Generation with Entity Pre-trained GPT for KG Question Answering

Knowledge Graphs popularity has been rapidly growing in last years. All that knowledge is available for people to query it through the many online databases on the internet. Though, it would be a great achievement if non-programmer users could access whatever information they want to know. There has been a lot of effort oriented to solve this task using natural language processing tools and creativity encouragement by way of many challenges. Our approach focuses on assuming a correct entity linking on the natural language questions and training a GPT model to create SPARQL queries from them. We managed to isolate which property of the task can be the most difficult to solve at few or zero-shot and we proposed pre-training on all entities (under CWA) to improve the performance. We obtained a 62.703% accuracy of exact SPARQL matches on testing at 3-shots, a F1 of 0.809 on the entity linking challenge and a F1 of 0.009 on the question answering challenge.
Near-Optimal Reinforcement Learning with Self-Play under Adaptivity Constraints

We study the problem of multi-agent reinforcement learning (MARL) with adaptivity constraints -- a new problem motivated by real-world applications where deployments of new policies are costly and the number of policy updates must be minimized. For two-player zero-sum Markov Games, we design a (policy) elimination based algorithm that achieves a regret of $\widetilde{O}(\sqrt{H^3 S^2 ABK})$, while the batch complexity is only $O(H+\log\log K)$. In the above, $S$ denotes the number of states, $A,B$ are the number of actions for the two players respectively, $H$ is the horizon and $K$ is the number of episodes. Furthermore, we prove a batch complexity lower bound $\Omega(\frac{H}{\log_{A}K}+\log\log K)$ for all algorithms with $\widetilde{O}(\sqrt{K})$ regret bound, which matches our upper bound up to logarithmic factors. As a byproduct, our techniques naturally extend to learning bandit games and reward-free MARL within near optimal batch complexity. To the best of our knowledge, these are the first line of results towards understanding MARL with low adaptivity.
Bayesian Deep Learning for Remaining Useful Life Estimation via Stein Variational Gradient Descent

A crucial task in predictive maintenance is estimating the remaining useful life of physical systems. In the last decade, deep learning has improved considerably upon traditional model-based and statistical approaches in terms of predictive performance. However, in order to optimally plan maintenance operations, it is also important to quantify the uncertainty inherent to the predictions. This issue can be addressed by turning standard frequentist neural networks into Bayesian neural networks, which are naturally capable of providing confidence intervals around the estimates. Several methods exist for training those models. Researchers have focused mostly on parametric variational inference and sampling-based techniques, which notoriously suffer from limited approximation power and large computational burden, respectively. In this work, we use Stein variational gradient descent, a recently proposed algorithm for approximating intractable distributions that overcomes the drawbacks of the aforementioned techniques. In particular, we show through experimental studies on simulated run-to-failure turbofan engine degradation data that Bayesian deep learning models trained via Stein variational gradient descent consistently outperform with respect to convergence speed and predictive performance both the same models trained via parametric variational inference and their frequentist counterparts trained via backpropagation. Furthermore, we propose a method to enhance performance based on the uncertainty information provided by the Bayesian models. We release the source code at https://github.com/lucadellalib/bdl-rul-svgd.
Double-Dip: Thwarting Label-Only Membership Inference Attacks with Transfer Learning and Randomization

Transfer learning (TL) has been demonstrated to improve DNN model performance when faced with a scarcity of training samples. However, the suitability of TL as a solution to reduce vulnerability of overfitted DNNs to privacy attacks is unexplored. A class of privacy attacks called membership inference attacks (MIAs) aim to determine whether a given sample belongs to the training dataset (member) or not (nonmember). We introduce Double-Dip, a systematic empirical study investigating the use of TL (Stage-1) combined with randomization (Stage-2) to thwart MIAs on overfitted DNNs without degrading classification accuracy. Our study examines the roles of shared feature space and parameter values between source and target models, number of frozen layers, and complexity of pretrained models. We evaluate Double-Dip on three (Target, Source) dataset paris: (i) (CIFAR-10, ImageNet), (ii) (GTSRB, ImageNet), (iii) (CelebA, VGGFace2). We consider four publicly available pretrained DNNs: (a) VGG-19, (b) ResNet-18, (c) Swin-T, and (d) FaceNet. Our experiments demonstrate that Stage-1 reduces adversary success while also significantly increasing classification accuracy of nonmembers against an adversary with either white-box or black-box DNN model access, attempting to carry out SOTA label-only MIAs. After Stage-2, success of an adversary carrying out a label-only MIA is further reduced to near 50%, bringing it closer to a random guess and showing the effectiveness of Double-Dip. Stage-2 of Double-Dip also achieves lower ASR and higher classification accuracy than regularization and differential privacy-based methods.
Conditioning non-linear and infinite-dimensional diffusion processes

Generative diffusion models and many stochastic models in science and engineering naturally live in infinite dimensions before discretisation. To incorporate observed data for statistical and learning tasks, one needs to condition on observations. While recent work has treated conditioning linear processes in infinite dimensions, conditioning non-linear processes in infinite dimensions has not been explored. This paper conditions function valued stochastic processes without prior discretisation. To do so, we use an infinite-dimensional version of Girsanov's theorem to condition a function-valued stochastic process, leading to a stochastic differential equation (SDE) for the conditioned process involving the score. We apply this technique to do time series analysis for shapes of organisms in evolutionary biology, where we discretise via the Fourier basis and then learn the coefficients of the score function with score matching methods.
On Measuring Context Utilization in Document-Level MT Systems

Document-level translation models are usually evaluated using general metrics such as BLEU, which are not informative about the benefits of context. Current work on context-aware evaluation, such as contrastive methods, only measure translation accuracy on words that need context for disambiguation. Such measures cannot reveal whether the translation model uses the correct supporting context. We propose to complement accuracy-based evaluation with measures of context utilization. We find that perturbation-based analysis (comparing models’ performance when provided with correct versus random context) is an effective measure of overall context utilization. For a finer-grained phenomenon-specific evaluation, we propose to measure how much the supporting context contributes to handling context-dependent discourse phenomena. We show that automatically-annotated supporting context gives similar conclusions to human-annotated context and can be used as alternative for cases where human annotations are not available. Finally, we highlight the importance of using discourse-rich datasets when assessing context utilization.
VISION-MAE: A Foundation Model for Medical Image Segmentation and Classification

Artificial Intelligence (AI) has the potential to revolutionize diagnosis and segmentation in medical imaging. However, development and clinical implementation face multiple challenges including limited data availability, lack of generalizability, and the necessity to incorporate multi-modal data effectively. A foundation model, which is a large-scale pre-trained AI model, offers a versatile base that can be adapted to a variety of specific tasks and contexts. Here, we present a novel foundation model, VISION-MAE, specifically designed for medical imaging. Specifically, VISION-MAE is trained on a dataset of 2.5 million unlabeled images from various modalities (CT, MR, PET, X-rays, and ultrasound), using self-supervised learning techniques. It is then adapted to classification and segmentation tasks using explicit labels. VISION-MAE has high label efficiency, outperforming several benchmark models in both in-domain and out-of-domain applications, and achieves high performance even with reduced availability of labeled data. This model represents a significant advancement in medical imaging AI, offering a generalizable and robust solution for improving segmentation and classification tasks while reducing the data annotation workload.
A new universality class describes Vicsek's flocking phase in physical dimensions

The Vicsek simulation model of flocking together with its theoretical treatment by Toner and Tu in 1995 were two foundational cornerstones of active matter physics. However, despite the field's tremendous progress, the actual universality class (UC) governing the scaling behavior of Viscek's"flocking"phase remains elusive. Here, we use nonperturbative, functional renormalization group methods to analyze, numerically and analytically, a simplified version of the Toner-Tu model, and uncover a novel UC with scaling exponents that agree remarkably well with the values obtained in a recent simulation study by Mahault et al. [Phys. Rev. Lett. 123, 218001 (2019)], in both two and three spatial dimensions. We therefore believe that there is strong evidence that the UC uncovered here describes Vicsek's flocking phase.
Training-time Neuron Alignment through Permutation Subspace for Improving Linear Mode Connectivity and Model Fusion

In deep learning, stochastic gradient descent often yields functionally similar yet widely scattered solutions in the weight space even under the same initialization, causing barriers in the Linear Mode Connectivity (LMC) landscape. Overcoming these barriers is crucial for understanding deep learning dynamics and enhancing model-fusion algorithms. Previous studies highlight the role of permutation symmetry in reducing post-training barriers through network permutation. However, these post-hoc methods, demanding extra computations, are less effective for larger, complex models (e.g., ViT, LLM) due to numerous permutation matrices. Thus, in this paper, we study training-time neuron alignment. Our hypothesis suggests that training-time permutation subspace can reduce LMC barriers for free. We find that pruning at initialization supports this. Beyond pruning, we introduce TNA-PFN, a simple yet lossless algorithm using a partial gradient mask during training. TNA-PFN is theoretically and empirically validated for reducing LMC barriers. It excels in wide model fusion applications, especially in federated learning, two algorithms based on TNA-FPN that are proposed to show its prospects even under heterogeneous datasets. Moreover, TNA-PFN can enhance the generalization of model soup for vision transformers and ColD fusion for pretrained language models.
$e^{+}e^{-}\to l^{+}l^{-}$ scattering at finite temperature in the presence of a classical background magnetic field

In this work the $e^{+}e^{-}\to l^{+}l^{-}$ scattering process is investigated. The cross-section is calculated considering three different effects: temperature, external magnetic field and chemical potential. The effect due to an external field is inserted into the problem through a redefinition of the fermionic field operator. Effects due to temperature and chemical potential are introduced using the Thermo Field Dynamics formalism.
Continuously Distributing Entanglement in Quantum Networks with Regular Topologies

Small interconnected quantum processors can collaborate to tackle quantum computational problems that typically demand more capable devices. These linked processors, referred to as quantum nodes, can use shared entangled states to execute nonlocal operations. As a consequence, understanding how to distribute entangled states among nodes is essential for developing hardware and software. We analyze a protocol where entanglement is continuously distributed among nodes that are physically arranged in a regular pattern: a chain, a honeycomb lattice, a square grid, and a triangular lattice. These regular patterns allow for the modular expansion of networks for large-scale distributed quantum computing. Within the entanglement distribution protocol, nodes can fix the probability of attempting entanglement swaps to trade off multiple entangled states shared with neighboring nodes for fewer entangled states shared with non-neighboring nodes. We evaluate the protocol's performance using the virtual neighborhood size -- a metric indicating the number of other nodes with which a given node shares entangled states. Employing numerical methods, we find that nodes must perform more swaps to maximize the virtual neighborhood size when coherence times are short. In a chain network, the virtual neighborhood size's dependence on swap attempt probability differs for each node based on its distance from the end of the chain. Conversely, all nodes in the square grid exhibit a qualitatively similar dependence of the virtual neighborhood size on the swap probability.
Nomic Embed: Training a Reproducible Long Context Text Embedder

This technical report describes the training of nomic-embed-text-v1, the first fully reproducible, open-source, open-weights, open-data, 8192 context length English text embedding model that outperforms both OpenAI Ada-002 and OpenAI text-embedding-3-small on short and long-context tasks. We release the training code and model weights under an Apache 2 license. In contrast with other open-source models, we release a training data loader with 235 million curated text pairs that allows for the full replication of nomic-embed-text-v1. You can find code and data to replicate the model at https://github.com/nomic-ai/contrastors
Coexistence of Ferromagnetism and Antiferromagnetic Dimers in Topological Insulators

The addition of magnetic impurities in topological insulators can drive ferromagnetic order that leads to novel quantum anomalous Hall transport well below the Curie temperature. The fragility of the quantized regime has been ascribed to the random nature of the magnetic moment distribution. Here, we refine this hypothesis by using inelastic neutron scattering and density-functional theory calculations to show that two antagonistic components define the magnetism in Mn-substituted SnTe, thereby limiting the effectiveness of dilute magnetic TIs. One component is strongly bound antiferromagnetic dimers that compete with ferromagnetic order. The other component consists of undimerized moments where ferromagnetic order develops via long-range interactions.
Flexible Variational Information Bottleneck: Achieving Diverse Compression with a Single Training

Information Bottleneck (IB) is a widely used framework that enables the extraction of information related to a target random variable from a source random variable. In the objective function, IB controls the trade-off between data compression and predictiveness through the Lagrange multiplier $\beta$. Traditionally, to find the trade-off to be learned, IB requires a search for $\beta$ through multiple training cycles, which is computationally expensive. In this study, we introduce Flexible Variational Information Bottleneck (FVIB), an innovative framework for classification task that can obtain optimal models for all values of $\beta$ with single, computationally efficient training. We theoretically demonstrate that across all values of reasonable $\beta$, FVIB can simultaneously maximize an approximation of the objective function for Variational Information Bottleneck (VIB), the conventional IB method. Then we empirically show that FVIB can learn the VIB objective as effectively as VIB. Furthermore, in terms of calibration performance, FVIB outperforms other IB and calibration methods by enabling continuous optimization of $\beta$. Our codes are available at https://github.com/sotakudo/fvib.
The Optimality of Kernel Classifiers in Sobolev Space

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability $\eta(x)=\mathbb{P}(Y=1\mid X=x)$, we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of $2\eta(x)-1$ and apply the method to real datasets.
Describing Images \textit{Fast and Slow}: Quantifying and Predicting the Variation in Human Signals during Visuo-Linguistic Processes

There is an intricate relation between the properties of an image and how humans behave while describing the image. This behavior shows ample variation, as manifested in human signals such as eye movements and when humans start to describe the image. Despite the value of such signals of visuo-linguistic variation, they are virtually disregarded in the training of current pretrained models, which motivates further investigation. Using a corpus of Dutch image descriptions with concurrently collected eye-tracking data, we explore the nature of the variation in visuo-linguistic signals, and find that they correlate with each other. Given this result, we hypothesize that variation stems partly from the properties of the images, and explore whether image representations encoded by pretrained vision encoders can capture such variation. Our results indicate that pretrained models do so to a weak-to-moderate degree, suggesting that the models lack biases about what makes a stimulus complex for humans and what leads to variations in human outputs.