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Mar 14

Rise and Fall of Anderson Localization by Lattice Vibrations: A Time-Dependent Machine Learning Approach

The intricate relationship between electrons and the crystal lattice is a linchpin in condensed matter, traditionally described by the Fr\"ohlich model encompassing the lowest-order lattice-electron coupling. Recently developed quantum acoustics, emphasizing the wave nature of lattice vibrations, has enabled the exploration of previously uncharted territories of electron-lattice interaction not accessible with conventional tools such as perturbation theory. In this context, our agenda here is two-fold. First, we showcase the application of machine learning methods to categorize various interaction regimes within the subtle interplay of electrons and the dynamical lattice landscape. Second, we shed light on a nebulous region of electron dynamics identified by the machine learning approach and then attribute it to transient localization, where strong lattice vibrations result in a momentary Anderson prison for electronic wavepackets, which are later released by the evolution of the lattice. Overall, our research illuminates the spectrum of dynamics within the Fr\"ohlich model, such as transient localization, which has been suggested as a pivotal factor contributing to the mysteries surrounding strange metals. Furthermore, this paves the way for utilizing time-dependent perspectives in machine learning techniques for designing materials with tailored electron-lattice properties.

VerSe: A Vertebrae Labelling and Segmentation Benchmark for Multi-detector CT Images

Vertebral labelling and segmentation are two fundamental tasks in an automated spine processing pipeline. Reliable and accurate processing of spine images is expected to benefit clinical decision-support systems for diagnosis, surgery planning, and population-based analysis on spine and bone health. However, designing automated algorithms for spine processing is challenging predominantly due to considerable variations in anatomy and acquisition protocols and due to a severe shortage of publicly available data. Addressing these limitations, the Large Scale Vertebrae Segmentation Challenge (VerSe) was organised in conjunction with the International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI) in 2019 and 2020, with a call for algorithms towards labelling and segmentation of vertebrae. Two datasets containing a total of 374 multi-detector CT scans from 355 patients were prepared and 4505 vertebrae have individually been annotated at voxel-level by a human-machine hybrid algorithm (https://osf.io/nqjyw/, https://osf.io/t98fz/). A total of 25 algorithms were benchmarked on these datasets. In this work, we present the the results of this evaluation and further investigate the performance-variation at vertebra-level, scan-level, and at different fields-of-view. We also evaluate the generalisability of the approaches to an implicit domain shift in data by evaluating the top performing algorithms of one challenge iteration on data from the other iteration. The principal takeaway from VerSe: the performance of an algorithm in labelling and segmenting a spine scan hinges on its ability to correctly identify vertebrae in cases of rare anatomical variations. The content and code concerning VerSe can be accessed at: https://github.com/anjany/verse.

Adaptive Guidance: Training-free Acceleration of Conditional Diffusion Models

This paper presents a comprehensive study on the role of Classifier-Free Guidance (CFG) in text-conditioned diffusion models from the perspective of inference efficiency. In particular, we relax the default choice of applying CFG in all diffusion steps and instead search for efficient guidance policies. We formulate the discovery of such policies in the differentiable Neural Architecture Search framework. Our findings suggest that the denoising steps proposed by CFG become increasingly aligned with simple conditional steps, which renders the extra neural network evaluation of CFG redundant, especially in the second half of the denoising process. Building upon this insight, we propose "Adaptive Guidance" (AG), an efficient variant of CFG, that adaptively omits network evaluations when the denoising process displays convergence. Our experiments demonstrate that AG preserves CFG's image quality while reducing computation by 25%. Thus, AG constitutes a plug-and-play alternative to Guidance Distillation, achieving 50% of the speed-ups of the latter while being training-free and retaining the capacity to handle negative prompts. Finally, we uncover further redundancies of CFG in the first half of the diffusion process, showing that entire neural function evaluations can be replaced by simple affine transformations of past score estimates. This method, termed LinearAG, offers even cheaper inference at the cost of deviating from the baseline model. Our findings provide insights into the efficiency of the conditional denoising process that contribute to more practical and swift deployment of text-conditioned diffusion models.

Preference Learning Algorithms Do Not Learn Preference Rankings

Preference learning algorithms (e.g., RLHF and DPO) are frequently used to steer LLMs to produce generations that are more preferred by humans, but our understanding of their inner workings is still limited. In this work, we study the conventional wisdom that preference learning trains models to assign higher likelihoods to more preferred outputs than less preferred outputs, measured via ranking accuracy. Surprisingly, we find that most state-of-the-art preference-tuned models achieve a ranking accuracy of less than 60% on common preference datasets. We furthermore derive the idealized ranking accuracy that a preference-tuned LLM would achieve if it optimized the DPO or RLHF objective perfectly. We demonstrate that existing models exhibit a significant alignment gap -- i.e., a gap between the observed and idealized ranking accuracies. We attribute this discrepancy to the DPO objective, which is empirically and theoretically ill-suited to fix even mild ranking errors in the reference model, and derive a simple and efficient formula for quantifying the difficulty of learning a given preference datapoint. Finally, we demonstrate that ranking accuracy strongly correlates with the empirically popular win rate metric when the model is close to the reference model used in the objective, shedding further light on the differences between on-policy (e.g., RLHF) and off-policy (e.g., DPO) preference learning algorithms.

GAIA: A Global, Multi-modal, Multi-scale Vision-Language Dataset for Remote Sensing Image Analysis

The continuous operation of Earth-orbiting satellites generates vast and ever-growing archives of Remote Sensing (RS) images. Natural language presents an intuitive interface for accessing, querying, and interpreting the data from such archives. However, existing Vision-Language Models (VLMs) are predominantly trained on web-scraped, noisy image-text data, exhibiting limited exposure to the specialized domain of RS. This deficiency results in poor performance on RS-specific tasks, as commonly used datasets often lack detailed, scientifically accurate textual descriptions and instead emphasize solely on attributes like date and location. To bridge this critical gap, we introduce GAIA, a novel dataset designed for multi-scale, multi-sensor, and multi-modal RS image analysis. GAIA comprises of 205,150 meticulously curated RS image-text pairs, representing a diverse range of RS modalities associated to different spatial resolutions. Unlike existing vision-language datasets in RS, GAIA specifically focuses on capturing a diverse range of RS applications, providing unique information about environmental changes, natural disasters, and various other dynamic phenomena. The dataset provides a spatially and temporally balanced distribution, spanning across the globe, covering the last 25 years with a balanced temporal distribution of observations. GAIA's construction involved a two-stage process: (1) targeted web-scraping of images and accompanying text from reputable RS-related sources, and (2) generation of five high-quality, scientifically grounded synthetic captions for each image using carefully crafted prompts that leverage the advanced vision-language capabilities of GPT-4o. Our extensive experiments, including fine-tuning of CLIP and BLIP2 models, demonstrate that GAIA significantly improves performance on RS image classification, cross-modal retrieval and image captioning tasks.

Integrating Reinforcement Learning with Foundation Models for Autonomous Robotics: Methods and Perspectives

Foundation models (FMs), large deep learning models pre-trained on vast, unlabeled datasets, exhibit powerful capabilities in understanding complex patterns and generating sophisticated outputs. However, they often struggle to adapt to specific tasks. Reinforcement learning (RL), which allows agents to learn through interaction and feedback, offers a compelling solution. Integrating RL with FMs enables these models to achieve desired outcomes and excel at particular tasks. Additionally, RL can be enhanced by leveraging the reasoning and generalization capabilities of FMs. This synergy is revolutionizing various fields, including robotics. FMs, rich in knowledge and generalization, provide robots with valuable information, while RL facilitates learning and adaptation through real-world interactions. This survey paper comprehensively explores this exciting intersection, examining how these paradigms can be integrated to advance robotic intelligence. We analyze the use of foundation models as action planners, the development of robotics-specific foundation models, and the mutual benefits of combining FMs with RL. Furthermore, we present a taxonomy of integration approaches, including large language models, vision-language models, diffusion models, and transformer-based RL models. We also explore how RL can utilize world representations learned from FMs to enhance robotic task execution. Our survey aims to synthesize current research and highlight key challenges in robotic reasoning and control, particularly in the context of integrating FMs and RL--two rapidly evolving technologies. By doing so, we seek to spark future research and emphasize critical areas that require further investigation to enhance robotics. We provide an updated collection of papers based on our taxonomy, accessible on our open-source project website at: https://github.com/clmoro/Robotics-RL-FMs-Integration.

Controlling Personality Style in Dialogue with Zero-Shot Prompt-Based Learning

Prompt-based or in-context learning has achieved high zero-shot performance on many natural language generation (NLG) tasks. Here we explore the performance of prompt-based learning for simultaneously controlling the personality and the semantic accuracy of an NLG for task-oriented dialogue. We experiment with prompt-based learning on the PERSONAGE restaurant recommendation corpus to generate semantically and stylistically-controlled text for 5 different Big-5 personality types: agreeable, disagreeable, conscientious, unconscientious, and extravert. We test two different classes of discrete prompts to generate utterances for a particular personality style: (1) prompts that demonstrate generating directly from a meaning representation that includes a personality specification; and (2) prompts that rely on first converting the meaning representation to a textual pseudo-reference, and then using the pseudo-reference in a textual style transfer (TST) prompt. In each case, we show that we can vastly improve performance by over-generating outputs and ranking them, testing several ranking functions based on automatic metrics for semantic accuracy, personality-match, and fluency. We also test whether NLG personality demonstrations from the restaurant domain can be used with meaning representations for the video game domain to generate personality stylized utterances about video games. Our findings show that the TST prompts produces the highest semantic accuracy (78.46% for restaurants and 87.6% for video games) and personality accuracy (100% for restaurants and 97% for video games). Our results on transferring personality style to video game utterances are surprisingly good. To our knowledge, there is no previous work testing the application of prompt-based learning to simultaneously controlling both style and semantic accuracy in NLG.

Prediction of speech intelligibility with DNN-based performance measures

This paper presents a speech intelligibility model based on automatic speech recognition (ASR), combining phoneme probabilities from deep neural networks (DNN) and a performance measure that estimates the word error rate from these probabilities. This model does not require the clean speech reference nor the word labels during testing as the ASR decoding step, which finds the most likely sequence of words given phoneme posterior probabilities, is omitted. The model is evaluated via the root-mean-squared error between the predicted and observed speech reception thresholds from eight normal-hearing listeners. The recognition task consists of identifying noisy words from a German matrix sentence test. The speech material was mixed with eight noise maskers covering different modulation types, from speech-shaped stationary noise to a single-talker masker. The prediction performance is compared to five established models and an ASR-model using word labels. Two combinations of features and networks were tested. Both include temporal information either at the feature level (amplitude modulation filterbanks and a feed-forward network) or captured by the architecture (mel-spectrograms and a time-delay deep neural network, TDNN). The TDNN model is on par with the DNN while reducing the number of parameters by a factor of 37; this optimization allows parallel streams on dedicated hearing aid hardware as a forward-pass can be computed within the 10ms of each frame. The proposed model performs almost as well as the label-based model and produces more accurate predictions than the baseline models.

Internet-augmented language models through few-shot prompting for open-domain question answering

In this work, we aim to capitalize on the unique few-shot capabilities of large-scale language models (LSLMs) to overcome some of their challenges with respect to grounding to factual and up-to-date information. Motivated by semi-parametric language models (LMs), which ground their decisions in external retrieved evidence, we use few-shot prompting to learn to condition LMs on information returned from the web using Google Search, a broad and constantly updated knowledge source. Our approach does not involve fine-tuning or learning additional parameters, thus making it applicable to any LM, offering therefore a strong baseline. Indeed, we find that LMs conditioned on the web surpass performance of closed-book models of similar, or even larger, model sizes in open-domain question answering. Finally, we find that increasing the inference-time compute of models, achieved via using multiple retrieved evidences to generate multiple answers followed by a reranking stage that uses scores generated by the same LMs, leads to better performance and alleviates lower performance of smaller few-shot LMs. All in all, our findings suggest that it might be beneficial to slow down the race towards the biggest model and instead shift attention towards finding more effective ways to use models, including but not limited to, better prompting or increasing inference-time compute.

Digital Twins: State of the Art Theory and Practice, Challenges, and Open Research Questions

Digital Twin was introduced over a decade ago, as an innovative all-encompassing tool, with perceived benefits including real-time monitoring, simulation and forecasting. However, the theoretical framework and practical implementations of digital twins (DT) are still far from this vision. Although successful implementations exist, sufficient implementation details are not publicly available, therefore it is difficult to assess their effectiveness, draw comparisons and jointly advance the DT methodology. This work explores the various DT features and current approaches, the shortcomings and reasons behind the delay in the implementation and adoption of digital twin. Advancements in machine learning, internet of things and big data have contributed hugely to the improvements in DT with regards to its real-time monitoring and forecasting properties. Despite this progress and individual company-based efforts, certain research gaps exist in the field, which have caused delay in the widespread adoption of this concept. We reviewed relevant works and identified that the major reasons for this delay are the lack of a universal reference framework, domain dependence, security concerns of shared data, reliance of digital twin on other technologies, and lack of quantitative metrics. We define the necessary components of a digital twin required for a universal reference framework, which also validate its uniqueness as a concept compared to similar concepts like simulation, autonomous systems, etc. This work further assesses the digital twin applications in different domains and the current state of machine learning and big data in it. It thus answers and identifies novel research questions, both of which will help to better understand and advance the theory and practice of digital twins.

Frontier AI Regulation: Managing Emerging Risks to Public Safety

Advanced AI models hold the promise of tremendous benefits for humanity, but society needs to proactively manage the accompanying risks. In this paper, we focus on what we term "frontier AI" models: highly capable foundation models that could possess dangerous capabilities sufficient to pose severe risks to public safety. Frontier AI models pose a distinct regulatory challenge: dangerous capabilities can arise unexpectedly; it is difficult to robustly prevent a deployed model from being misused; and, it is difficult to stop a model's capabilities from proliferating broadly. To address these challenges, at least three building blocks for the regulation of frontier models are needed: (1) standard-setting processes to identify appropriate requirements for frontier AI developers, (2) registration and reporting requirements to provide regulators with visibility into frontier AI development processes, and (3) mechanisms to ensure compliance with safety standards for the development and deployment of frontier AI models. Industry self-regulation is an important first step. However, wider societal discussions and government intervention will be needed to create standards and to ensure compliance with them. We consider several options to this end, including granting enforcement powers to supervisory authorities and licensure regimes for frontier AI models. Finally, we propose an initial set of safety standards. These include conducting pre-deployment risk assessments; external scrutiny of model behavior; using risk assessments to inform deployment decisions; and monitoring and responding to new information about model capabilities and uses post-deployment. We hope this discussion contributes to the broader conversation on how to balance public safety risks and innovation benefits from advances at the frontier of AI development.

Multi-Layer Deep xVA: Structural Credit Models, Measure Changes and Convergence Analysis

We propose a structural default model for portfolio-wide valuation adjustments (xVAs) and represent it as a system of coupled backward stochastic differential equations. The framework is divided into four layers, each capturing a key component: (i) clean values, (ii) initial margin and Collateral Valuation Adjustment (ColVA), (iii) Credit/Debit Valuation Adjustments (CVA/DVA) together with Margin Valuation Adjustment (MVA), and (iv) Funding Valuation Adjustment (FVA). Because these layers depend on one another through collateral and default effects, a naive Monte Carlo approach would require deeply nested simulations, making the problem computationally intractable. To address this challenge, we use an iterative deep BSDE approach, handling each layer sequentially so that earlier outputs serve as inputs to the subsequent layers. Initial margin is computed via deep quantile regression to reflect margin requirements over the Margin Period of Risk. We also adopt a change-of-measure method that highlights rare but significant defaults of the bank or counterparty, ensuring that these events are accurately captured in the training process. We further extend Han and Long's (2020) a posteriori error analysis to BSDEs on bounded domains. Due to the random exit from the domain, we obtain an order of convergence of O(h^{1/4-epsilon}) rather than the usual O(h^{1/2}). Numerical experiments illustrate that this method drastically reduces computational demands and successfully scales to high-dimensional, non-symmetric portfolios. The results confirm its effectiveness and accuracy, offering a practical alternative to nested Monte Carlo simulations in multi-counterparty xVA analyses.

The LHCb ultra-fast simulation option, Lamarr: design and validation

Detailed detector simulation is the major consumer of CPU resources at LHCb, having used more than 90% of the total computing budget during Run 2 of the Large Hadron Collider at CERN. As data is collected by the upgraded LHCb detector during Run 3 of the LHC, larger requests for simulated data samples are necessary, and will far exceed the pledged resources of the experiment, even with existing fast simulation options. An evolution of technologies and techniques to produce simulated samples is mandatory to meet the upcoming needs of analysis to interpret signal versus background and measure efficiencies. In this context, we propose Lamarr, a Gaudi-based framework designed to offer the fastest solution for the simulation of the LHCb detector. Lamarr consists of a pipeline of modules parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Most of the parameterizations are made of Deep Generative Models and Gradient Boosted Decision Trees trained on simulated samples or alternatively, where possible, on real data. Embedding Lamarr in the general LHCb Gauss Simulation framework allows combining its execution with any of the available generators in a seamless way. Lamarr has been validated by comparing key reconstructed quantities with Detailed Simulation. Good agreement of the simulated distributions is obtained with two-order-of-magnitude speed-up of the simulation phase.

Yes, we CANN: Constrained Approximate Nearest Neighbors for local feature-based visual localization

Large-scale visual localization systems continue to rely on 3D point clouds built from image collections using structure-from-motion. While the 3D points in these models are represented using local image features, directly matching a query image's local features against the point cloud is challenging due to the scale of the nearest-neighbor search problem. Many recent approaches to visual localization have thus proposed a hybrid method, where first a global (per image) embedding is used to retrieve a small subset of database images, and local features of the query are matched only against those. It seems to have become common belief that global embeddings are critical for said image-retrieval in visual localization, despite the significant downside of having to compute two feature types for each query image. In this paper, we take a step back from this assumption and propose Constrained Approximate Nearest Neighbors (CANN), a joint solution of k-nearest-neighbors across both the geometry and appearance space using only local features. We first derive the theoretical foundation for k-nearest-neighbor retrieval across multiple metrics and then showcase how CANN improves visual localization. Our experiments on public localization benchmarks demonstrate that our method significantly outperforms both state-of-the-art global feature-based retrieval and approaches using local feature aggregation schemes. Moreover, it is an order of magnitude faster in both index and query time than feature aggregation schemes for these datasets. Code will be released.

Lessons learned from the evaluation of Spanish Language Models

Given the impact of language models on the field of Natural Language Processing, a number of Spanish encoder-only masked language models (aka BERTs) have been trained and released. These models were developed either within large projects using very large private corpora or by means of smaller scale academic efforts leveraging freely available data. In this paper we present a comprehensive head-to-head comparison of language models for Spanish with the following results: (i) Previously ignored multilingual models from large companies fare better than monolingual models, substantially changing the evaluation landscape of language models in Spanish; (ii) Results across the monolingual models are not conclusive, with supposedly smaller and inferior models performing competitively. Based on these empirical results, we argue for the need of more research to understand the factors underlying them. In this sense, the effect of corpus size, quality and pre-training techniques need to be further investigated to be able to obtain Spanish monolingual models significantly better than the multilingual ones released by large private companies, specially in the face of rapid ongoing progress in the field. The recent activity in the development of language technology for Spanish is to be welcomed, but our results show that building language models remains an open, resource-heavy problem which requires to marry resources (monetary and/or computational) with the best research expertise and practice.

Improving Fractal Pre-training

The deep neural networks used in modern computer vision systems require enormous image datasets to train them. These carefully-curated datasets typically have a million or more images, across a thousand or more distinct categories. The process of creating and curating such a dataset is a monumental undertaking, demanding extensive effort and labelling expense and necessitating careful navigation of technical and social issues such as label accuracy, copyright ownership, and content bias. What if we had a way to harness the power of large image datasets but with few or none of the major issues and concerns currently faced? This paper extends the recent work of Kataoka et. al. (2020), proposing an improved pre-training dataset based on dynamically-generated fractal images. Challenging issues with large-scale image datasets become points of elegance for fractal pre-training: perfect label accuracy at zero cost; no need to store/transmit large image archives; no privacy/demographic bias/concerns of inappropriate content, as no humans are pictured; limitless supply and diversity of images; and the images are free/open-source. Perhaps surprisingly, avoiding these difficulties imposes only a small penalty in performance. Leveraging a newly-proposed pre-training task -- multi-instance prediction -- our experiments demonstrate that fine-tuning a network pre-trained using fractals attains 92.7-98.1% of the accuracy of an ImageNet pre-trained network.