Miracle-dz/UniFAR-FTUs huggingface dataset:
Empirical Validation of Conformal Prediction for Trustworthy Skin Lesions Classification

Background and objective: Uncertainty quantification is a pivotal field that contributes to realizing reliable and robust systems. It becomes instrumental in fortifying safe decisions by providing complementary information, particularly within high-risk applications. existing studies have explored various methods that often operate under specific assumptions or necessitate substantial modifications to the network architecture to effectively account for uncertainties. The objective of this paper is to study Conformal Prediction, an emerging distribution-free uncertainty quantification technique, and provide a comprehensive understanding of the advantages and limitations inherent in various methods within the medical imaging field. Methods: In this study, we developed Conformal Prediction, Monte Carlo Dropout, and Evidential Deep Learning approaches to assess uncertainty quantification in deep neural networks. The effectiveness of these methods is evaluated using three public medical imaging datasets focused on detecting pigmented skin lesions and blood cell types. Results: The experimental results demonstrate a significant enhancement in uncertainty quantification with the utilization of the Conformal Prediction method, surpassing the performance of the other two methods. Furthermore, the results present insights into the effectiveness of each uncertainty method in handling Out-of-Distribution samples from domain-shifted datasets. Our code is available at: Conclusions: Our conclusion highlights a robust and consistent performance of conformal prediction across diverse testing conditions. This positions it as the preferred choice for decision-making in safety-critical applications.
Bell meets Cavendish: a quantum signature of gravity?

The inclusion of gravitation within the framework of quantum theory remains one of the most prominent open problem in physics. To date, the absence of empirical evidence hampers conclusions regarding the fundamental nature of gravity -- whether it adheres to quantum principles or remains a classical field manifests solely in the macroscopic domain. This article presents a though experiment aimed at discerning the quantum signature of gravity through the lens of macroscopic nonlocality. The experiment integrates a standard Bell test with a classical Cavendish experiment. We illustrate that the measurement apparatuses employed in a Bell experiment, despite lacking entanglement, defy classical descriptions; their statistical behaviors resist explanations through local hidden variable models. Extending this argument to encompass the massive objects in the Cavendish experiment allows for further disputing classical models of the gravitational field. Under favorable conditions and in light of corroborating evidence from the recent loophole-free Bell experiments, the quantum character of gravity is essentially substantiated.
Statistical Projection of the North Atlantic Storm Tracks

A method for empirical–statistical downscaling was adapted to project seasonal cyclone density over the North Atlantic Ocean. To this aim, the seasonal mean cyclone density was derived from instantaneous values of the 6-h mean sea level pressure (SLP) reanalysis fields. The cyclone density was then combined with seasonal mean reanalysis and global climate model projections of SLP or 500-hPa geopotential height to obtain future projections of the North Atlantic storm tracks. The empirical–statistical approach is computationally efficient because it makes use of seasonally aggregated cyclone statistics and allows the future cyclone density to be estimated from the full ensemble of available CMIP5 models rather than from a smaller subset. However, the projected cyclone density in the future differs considerably depending on the choice of predictor, SLP, or 500-hPa geopotential height. This discrepancy suggests that the relationship between the cyclone density and SLP, 500-hPa geopotential height, or both is nonstationary; that is, that the statistical model depends on the calibration period. A stationarity test based on 6-hourly HadGEM2-ES data indicated that the 500-hPa geopotential height was not a robust predictor of cyclone density.
Safe Multi-Task Bayesian Optimization

Bayesian optimization has become a powerful tool for safe online optimization of systems, due to its high sample efficiency and noise robustness. For further speed-up reduced physical models of the system can be incorporated into the optimization to accelerate the process, since the models are able to offer an approximation of the actual system, and sampling from them is significantly cheaper. The similarity between model and reality is represented by additional hyperparameters and learned within the optimization process. Safety is an important criteria for online optimization methods like Bayesian optimization, which has been addressed by recent literature, which provide safety guarantees under the assumption of known hyperparameters. However, in practice this is not applicable. Therefore, we extend the robust Gaussian process uniform error bounds to meet the multi-task setting, which involves the calculation of a confidence region from the hyperparameter posterior distribution utilizing Markov chain Monte Carlo methods. Then, using the robust safety bounds, Bayesian optimization is applied to safely optimize the system while incorporating measurements of the models. Simulations show that the optimization can be significantly accelerated compared to other state-of-the-art safe Bayesian optimization methods depending on the fidelity of the models.
Rethinking Compression: Reduced Order Modelling of Latent Features in Large Language Models

Due to the substantial scale of Large Language Models (LLMs), the direct application of conventional compression methodologies proves impractical. The computational demands associated with even minimal gradient updates present challenges, particularly on consumer-grade hardware. This paper introduces an innovative approach for the parametric and practical compression of LLMs based on reduced order modelling, which entails low-rank decomposition within the feature space and re-parameterization in the weight space. Notably, this compression technique operates in a layer-wise manner, obviating the need for a GPU device and enabling the compression of billion-scale models within stringent constraints of both memory and time. Our method represents a significant advancement in model compression by leveraging matrix decomposition, demonstrating superior efficacy compared to the prevailing state-of-the-art structured pruning method.
Towards Faster k-Nearest-Neighbor Machine Translation

Recent works have proven the effectiveness of k-nearest-neighbor machine translation(a.k.a kNN-MT) approaches to produce remarkable improvement in cross-domain translations. However, these models suffer from heavy retrieve overhead on the entire datastore when decoding each token. We observe that during the decoding phase, about 67% to 84% of tokens are unvaried after searching over the corpus datastore, which means most of the tokens cause futile retrievals and introduce unnecessary computational costs by initiating k-nearest-neighbor searches. We consider this phenomenon is explainable in linguistics and propose a simple yet effective multi-layer perceptron (MLP) network to predict whether a token should be translated jointly by the neural machine translation model and probabilities produced by the kNN or just by the neural model. The results show that our method succeeds in reducing redundant retrieval operations and significantly reduces the overhead of kNN retrievals by up to 53% at the expense of a slight decline in translation quality. Moreover, our method could work together with all existing kNN-MT systems.
Genixer: Empowering Multimodal Large Language Models as a Powerful Data Generator

Instruction tuning data is essential for training the Multimodal Large Language Models (MLLMs). However, the creation of high-quality instruction tuning data presents significant challenges. Prior methods that depended on GPT-4 for data generation were not only costly but also lacked satisfactory performance in complex tasks (i.e., grounding-based reasoning tasks). To address these issues, we developed an innovative data generation pipeline, Genixer, to generate various high-quality instruction tuning data, including nine representative tasks, e.g., Common VQA, REC, REG, and PointQ. Specifically, Genixer provides a unified solution with four key steps for alleviating the difficulty of data generation: (i) instruction data collection, (ii) instruction template design, (iii) empowering MLLM, and (iv) data generation and filtering. Subsequently, the superior qualitative results of our Genixer demonstrate that current MLLMs have a strong potential to evolve into powerful data generators. Additionally, to validate the efficacy of generated data quantitatively, we add the instruction tuning data produced by Genixer into the training of two representative MLLMs and observe the consistent improvements on various VQA tasks and multimodal benchmarks.
Ahpatron: A New Budgeted Online Kernel Learning Machine with Tighter Mistake Bound

In this paper, we study the mistake bound of online kernel learning on a budget. We propose a new budgeted online kernel learning model, called Ahpatron, which significantly improves the mistake bound of previous work and resolves an open problem related to upper bounds of hypothesis space constraints. We first present an aggressive variant of Perceptron, named AVP, a model without budget, which uses an active updating rule. Then we design a new budget maintenance mechanism, which removes a half of examples, and projects the removed examples onto a hypothesis space spanned by the remaining examples. Ahpatron adopts the above mechanism to approximate AVP. Theoretical analyses prove that Ahpatron has tighter mistake bounds, and experimental results show that Ahpatron outperforms the state-of-the-art algorithms on the same or a smaller budget.
Optimizing High Throughput Inference on Graph Neural Networks at Shared Computing Facilities with the NVIDIA Triton Inference Server

With machine learning applications now spanning a variety of computational tasks, multi-user shared computing facilities are devoting a rapidly increasing proportion of their resources to such algorithms. Graph neural networks (GNNs), for example, have provided astounding improvements in extracting complex signatures from data and are now widely used in a variety of applications, such as particle jet classification in high energy physics (HEP). However, GNNs also come with an enormous computational penalty that requires the use of GPUs to maintain reasonable throughput. At shared computing facilities, such as those used by physicists at Fermi National Accelerator Laboratory (Fermilab), methodical resource allocation and high throughput at the many-user scale are key to ensuring that resources are being used as efficiently as possible. These facilities, however, primarily provide CPU-only nodes, which proves detrimental to time-to-insight and computational throughput for workflows that include machine learning inference. In this work, we describe how a shared computing facility can use the NVIDIA Triton Inference Server to optimize its resource allocation and computing structure, recovering high throughput while scaling out to multiple users by massively parallelizing their machine learning inference. To demonstrate the effectiveness of this system in a realistic multi-user environment, we use the Fermilab Elastic Analysis Facility augmented with the Triton Inference Server to provide scalable and high throughput access to a HEP-specific GNN and report on the outcome.
Solution of the v-representability problem on a ring domain

We provide a solution to the v-representability problem for a non-relativistic quantum many-particle system on a ring domain in terms of Sobolev spaces and their duals. Any one-particle density that is square-integrable, has a square-integrable weak derivative, and is gapped away from zero can be realized from the solution of a many-particle Schr\"odinger equation, with or without interactions, by choosing a corresponding external potential. This potential can contain a distributional contribution but still gives rise to a self-adjoint Hamiltonian. Importantly, this allows for a well-defined Kohn-Sham procedure but, on the other hand, invalidates the usual proof of the Hohenberg-Kohn theorem.
Intelligent Virtual Assistants with LLM-based Process Automation

While intelligent virtual assistants like Siri, Alexa, and Google Assistant have become ubiquitous in modern life, they still face limitations in their ability to follow multi-step instructions and accomplish complex goals articulated in natural language. However, recent breakthroughs in large language models (LLMs) show promise for overcoming existing barriers by enhancing natural language processing and reasoning capabilities. Though promising, applying LLMs to create more advanced virtual assistants still faces challenges like ensuring robust performance and handling variability in real-world user commands. This paper proposes a novel LLM-based virtual assistant that can automatically perform multi-step operations within mobile apps based on high-level user requests. The system represents an advance in assistants by providing an end-to-end solution for parsing instructions, reasoning about goals, and executing actions. LLM-based Process Automation (LLMPA) has modules for decomposing instructions, generating descriptions, detecting interface elements, predicting next actions, and error checking. Experiments demonstrate the system completing complex mobile operation tasks in Alipay based on natural language instructions. This showcases how large language models can enable automated assistants to accomplish real-world tasks. The main contributions are the novel LLMPA architecture optimized for app process automation, the methodology for applying LLMs to mobile apps, and demonstrations of multi-step task completion in a real-world environment. Notably, this work represents the first real-world deployment and extensive evaluation of a large language model-based virtual assistant in a widely used mobile application with an enormous user base numbering in the hundreds of millions.
Forced Exploration in Bandit Problems

The multi-armed bandit(MAB) is a classical sequential decision problem. Most work requires assumptions about the reward distribution (e.g., bounded), while practitioners may have difficulty obtaining information about these distributions to design models for their problems, especially in non-stationary MAB problems. This paper aims to design a multi-armed bandit algorithm that can be implemented without using information about the reward distribution while still achieving substantial regret upper bounds. To this end, we propose a novel algorithm alternating between greedy rule and forced exploration. Our method can be applied to Gaussian, Bernoulli and other subgaussian distributions, and its implementation does not require additional information. We employ a unified analysis method for different forced exploration strategies and provide problem-dependent regret upper bounds for stationary and piecewise-stationary settings. Furthermore, we compare our algorithm with popular bandit algorithms on different reward distributions.
ScribblePrompt: Fast and Flexible Interactive Segmentation for Any Medical Image

Semantic medical image segmentation is a crucial part of both scientific research and clinical care. With enough labelled data, deep learning models can be trained to accurately automate specific medical image segmentation tasks. However, manually segmenting images to create training data is highly labor intensive. In this paper, we present ScribblePrompt, an interactive segmentation framework for medical imaging that enables human annotators to segment unseen structures using scribbles, clicks, and bounding boxes. Scribbles are an intuitive and effective form of user interaction for complex tasks, however most existing methods focus on click-based interactions. We introduce algorithms for simulating realistic scribbles that enable training models that are amenable to multiple types of interaction. To achieve generalization to new tasks, we train on a diverse collection of 65 open-access biomedical datasets -- using both real and synthetic labels. We test ScribblePrompt on multiple network architectures and unseen datasets, and demonstrate that it can be used in real-time on a single CPU. We evaluate ScribblePrompt using manually-collected scribbles, simulated interactions, and a user study. ScribblePrompt outperforms existing methods in all our evaluations. In the user study, ScribblePrompt reduced annotation time by 28% while improving Dice by 15% compared to existing methods. We showcase ScribblePrompt in an online demo and provide code at https://scribbleprompt.csail. mit.edu
In Situ X-ray Scattering Reveals Coarsening Rates of Superlattices Self-Assembled from Electrostatically Stabilized Metal Nanocrystals Depend Nonmonotonically on Driving Force

Self-assembly of colloidal nanocrystals (NCs) into superlattices (SLs) is an appealing strategy to design hierarchically organized materials with promising functionalities. Mechanistic studies are still needed to uncover the design principles for SL self-assembly, but such studies have been difficult to perform due to the fast time and short length scales of NC systems. To address this challenge, we developed an apparatus to directly measure the evolving phases in situ and in real time of an electrostatically stabilized Au NC solution before, during, and after it is quenched to form SLs using small-angle X-ray scattering. By developing a quantitative model, we fit the time-dependent scattering patterns to obtain the phase diagram of the system and the kinetics of the colloidal and SL phases as a function of varying quench conditions. The extracted phase diagram is consistent with particles whose interactions are short in range relative to their diameter. We find the degree of SL order is primarily determined by fast (subsecond) initial nucleation and growth kinetics, while coarsening at later times depends nonmonotonically on the driving force for self-assembly. We validate these results by direct comparison with simulations and use them to suggest dynamic design principles to optimize the crystallinity within a finite time window. The combination of this measurement methodology, quantitative analysis, and simulation should be generalizable to elucidate and better control the microscopic self-assembly pathways of a wide range of bottom-up assembled systems and architectures.
RACER: Rational Artificial Intelligence Car-following-model Enhanced by Reality

This paper introduces RACER, the Rational Artificial Intelligence Car-following model Enhanced by Reality, a cutting-edge deep learning car-following model, that satisfies partial derivative constraints, designed to predict Adaptive Cruise Control (ACC) driving behavior while staying theoretically feasible. Unlike conventional models, RACER effectively integrates Rational Driving Constraints (RDCs), crucial tenets of actual driving, resulting in strikingly accurate and realistic predictions. Against established models like the Optimal Velocity Relative Velocity (OVRV), a car-following Neural Network (NN), and a car-following Physics-Informed Neural Network (PINN), RACER excels across key metrics, such as acceleration, velocity, and spacing. Notably, it displays a perfect adherence to the RDCs, registering zero violations, in stark contrast to other models. This study highlights the immense value of incorporating physical constraints within AI models, especially for augmenting safety measures in transportation. It also paves the way for future research to test these models against human driving data, with the potential to guide safer and more rational driving behavior. The versatility of the proposed model, including its potential to incorporate additional derivative constraints and broader architectural applications, enhances its appeal and broadens its impact within the scientific community.
Plug-and-play imaging with model uncertainty quantification in radio astronomy

Plug-and-Play (PnP) algorithms are appealing alternatives to proximal algorithms when solving inverse imaging problems. By learning a Deep Neural Network (DNN) behaving as a proximal operator, one waives the computational complexity of optimisation algorithms induced by sophisticated image priors, and the sub-optimality of handcrafted priors compared to DNNs. At the same time, these methods inherit the versatility of optimisation algorithms allowing the minimisation of a large class of objective functions. Such features are highly desirable in radio-interferometric (RI) imaging in astronomy, where the data size, the ill-posedness of the problem and the dynamic range of the target reconstruction are critical. In a previous work, we introduced a class of convergent PnP algorithms, dubbed AIRI, relying on a forward-backward algorithm, with a differentiable data-fidelity term and dynamic range-specific denoisers trained on highly pre-processed unrelated optical astronomy images. Here, we show that AIRI algorithms can benefit from a constrained data fidelity term at the mere cost of transferring to a primal-dual forward-backward algorithmic backbone. Moreover, we show that AIRI algorithms are robust to strong variations in the nature of the training dataset: denoisers trained on MRI images yield similar reconstructions to those trained on astronomical data. We additionally quantify the model uncertainty introduced by the randomness in the training process and suggest that AIRI algorithms are robust to model uncertainty. Finally, we propose an exhaustive comparison with methods from the radio-astronomical imaging literature and show the superiority of the proposed method over the current state-of-the-art.
Neural Differentiable Integral Control Barrier Functions for Unknown Nonlinear Systems with Input Constraints

In this paper, we propose a deep learning based control synthesis framework for fast and online computation of controllers that guarantees the safety of general nonlinear control systems with unknown dynamics in the presence of input constraints. Towards this goal, we propose a framework for simultaneously learning the unknown system dynamics, which can change with time due to external disturbances, and an integral control law for trajectory tracking based on imitation learning. Simultaneously, we learn corresponding safety certificates, which we refer to as Neural Integral Control Barrier Functions (Neural ICBF's), that automatically encode both the state and input constraints into a single scalar-valued function and enable the design of controllers that can guarantee that the state of the unknown system will never leave a safe subset of the state space. Finally, we provide numerical simulations that validate our proposed approach and compare it with classical as well as recent learning based methods from the relevant literature.