Authors: Namkyeong Lee, Heewoong Noh, Gyoung S. Na, Tianfan Fu, Jimeng Sun, Chanyoung Park
Despite the recent success of machine learning (ML) in materials science, its success heavily relies on the structural description of crystal, which is itself computationally demanding and occasionally unattainable. Stoichiometry descriptors can be an alternative approach, which reveals the ratio between elements involved to form a certain compound without any structural information. However, it is not trivial to learn the representations of stoichiometry due to the nature of materials science called polymorphism, i.e., a single stoichiometry can exist in multiple structural forms due to the flexibility of atomic arrangements, inducing uncertainties in representation. To this end, we propose PolySRL, which learns the probabilistic representation of stoichiometry by utilizing the readily available structural information, whose uncertainty reveals the polymorphic structures of stoichiometry. Extensive experiments on sixteen datasets demonstrate the superiority of PolySRL, and analysis of uncertainties shed light on the applicability of PolySRL in real-world material discovery. The source code for PolySRL is available at https://github.com/Namkyeong/PolySRL_AI4Science.
Authors: Sharath Nittur Sridhar, Maciej Szankin, Fang Chen, Sairam Sundaresan, Anthony Sarah
Recent one-shot Neural Architecture Search algorithms rely on training a hardware-agnostic super-network tailored to a specific task and then extracting efficient sub-networks for different hardware platforms. Popular approaches separate the training of super-networks from the search for sub-networks, often employing predictors to alleviate the computational overhead associated with search. Additionally, certain methods also incorporate the quantization policy within the search space. However, while the quantization policy search for convolutional neural networks is well studied, the extension of these methods to transformers and especially foundation models remains under-explored. In this paper, we demonstrate that by using multi-objective search algorithms paired with lightly trained predictors, we can efficiently search for both the sub-network architecture and the corresponding quantization policy and outperform their respective baselines across different performance objectives such as accuracy, model size, and latency. Specifically, we demonstrate that our approach performs well across both uni-modal (ViT and BERT) and multi-modal (BEiT-3) transformer-based architectures as well as convolutional architectures (ResNet). For certain networks, we demonstrate an improvement of up to $4.80x$ and $3.44x$ for latency and model size respectively, without degradation in accuracy compared to the fully quantized INT8 baselines.
Authors: Arthur Leroy, Ai Ling Teh, Frank Dondelinger, Mauricio A. Alvarez, Dennis Wang
Interrogating the evolution of biological changes at early stages of life requires longitudinal profiling of molecules, such as DNA methylation, which can be challenging with children. We introduce a probabilistic and longitudinal machine learning framework based on multi-mean Gaussian processes (GPs), accounting for individual and gene correlations across time. This method provides future predictions of DNA methylation status at different individual ages while accounting for uncertainty. Our model is trained on a birth cohort of children with methylation profiled at ages 0-4, and we demonstrated that the status of methylation sites for each child can be accurately predicted at ages 5-7. We show that methylation profiles predicted by multi-mean GPs can be used to estimate other phenotypes, such as epigenetic age, and enable comparison to other health measures of interest. This approach encourages epigenetic studies to move towards longitudinal design for investigating epigenetic changes during development, ageing and disease progression.
Authors: Wenhao Ding, Yulong Cao, Ding Zhao, Chaowei Xiao, Marco Pavone
Simulation plays a crucial role in the development of autonomous vehicles (AVs) due to the potential risks associated with real-world testing. Although significant progress has been made in the visual aspects of simulators, generating complex behavior among agents remains a formidable challenge. It is not only imperative to ensure realism in the scenarios generated but also essential to incorporate preferences and conditions to facilitate controllable generation for AV training and evaluation. Traditional methods, mainly relying on memorizing the distribution of training datasets, often fall short in generating unseen scenarios. Inspired by the success of retrieval augmented generation in large language models, we present RealGen, a novel retrieval-based in-context learning framework for traffic scenario generation. RealGen synthesizes new scenarios by combining behaviors from multiple retrieved examples in a gradient-free way, which may originate from templates or tagged scenarios. This in-context learning framework endows versatile generative capabilities, including the ability to edit scenarios, compose various behaviors, and produce critical scenarios. Evaluations show that RealGen offers considerable flexibility and controllability, marking a new direction in the field of controllable traffic scenario generation. Check our project website for more information: https://realgen.github.io.
Authors: Chenglu Pan, Jiarong Xu, Yue Yu, Ziqi Yang, Qingbiao Wu, Chunping Wang, Lei Chen, Yang Yang
Graph federated learning (FL) has emerged as a pivotal paradigm enabling multiple agents to collaboratively train a graph model while preserving local data privacy. Yet, current efforts overlook a key issue: agents are self-interested and would hesitant to share data without fair and satisfactory incentives. This paper is the first endeavor to address this issue by studying the incentive mechanism for graph federated learning. We identify a unique phenomenon in graph federated learning: the presence of agents posing potential harm to the federation and agents contributing with delays. This stands in contrast to previous FL incentive mechanisms that assume all agents contribute positively and in a timely manner. In view of this, this paper presents a novel incentive mechanism tailored for fair graph federated learning, integrating incentives derived from both model gradient and payoff. To achieve this, we first introduce an agent valuation function aimed at quantifying agent contributions through the introduction of two criteria: gradient alignment and graph diversity. Moreover, due to the high heterogeneity in graph federated learning, striking a balance between accuracy and fairness becomes particularly crucial. We introduce motif prototypes to enhance accuracy, communicated between the server and agents, enhancing global model aggregation and aiding agents in local model optimization. Extensive experiments show that our model achieves the best trade-off between accuracy and the fairness of model gradient, as well as superior payoff fairness.
Authors: Wenhao Li, Xiu Su, Shan You, Tao Huang, Fei Wang, Chen Qian, Chang Xu
Diffusion models have demonstrated remarkable efficacy in various generative tasks with the predictive prowess of denoising model. Currently, these models employ a uniform denoising approach across all timesteps. However, the inherent variations in noisy latents at each timestep lead to conflicts during training, constraining the potential of diffusion models. To address this challenge, we propose a novel two-stage training strategy termed Step-Adaptive Training. In the initial stage, a base denoising model is trained to encompass all timesteps. Subsequently, we partition the timesteps into distinct groups, fine-tuning the model within each group to achieve specialized denoising capabilities. Recognizing that the difficulties of predicting noise at different timesteps vary, we introduce a diverse model size requirement. We dynamically adjust the model size for each timestep by estimating task difficulty based on its signal-to-noise ratio before fine-tuning. This adjustment is facilitated by a proxy-based structural importance assessment mechanism, enabling precise and efficient pruning of the base denoising model. Our experiments validate the effectiveness of the proposed training strategy, demonstrating an improvement in the FID score on CIFAR10 by over 0.3 while utilizing only 80\% of the computational resources. This innovative approach not only enhances model performance but also significantly reduces computational costs, opening new avenues for the development and application of diffusion models.
Authors: Anzhe Cheng, Zhenkun Wang, Chenzhong Yin, Mingxi Cheng, Heng Ping, Xiongye Xiao, Shahin Nazarian, Paul Bogdan
Backpropagation (BP) has been a successful optimization technique for deep learning models. However, its limitations, such as backward- and update-locking, and its biological implausibility, hinder the concurrent updating of layers and do not mimic the local learning processes observed in the human brain. To address these issues, recent research has suggested using local error signals to asynchronously train network blocks. However, this approach often involves extensive trial-and-error iterations to determine the best configuration for local training. This includes decisions on how to decouple network blocks and which auxiliary networks to use for each block. In our work, we introduce a novel BP-free approach: a block-wise BP-free (BWBPF) neural network that leverages local error signals to optimize distinct sub-neural networks separately, where the global loss is only responsible for updating the output layer. The local error signals used in the BP-free model can be computed in parallel, enabling a potential speed-up in the weight update process through parallel implementation. Our experimental results consistently show that this approach can identify transferable decoupled architectures for VGG and ResNet variations, outperforming models trained with end-to-end backpropagation and other state-of-the-art block-wise learning techniques on datasets such as CIFAR-10 and Tiny-ImageNet. The code is released at https://github.com/Belis0811/BWBPF.
Authors: Zhongnian Li, Haotian Ren, Tongfeng Sun, Zhichen Li
Multi-abel Learning (MLL) often involves the assignment of multiple relevant labels to each instance, which can lead to the leakage of sensitive information (such as smoking, diseases, etc.) about the instances. However, existing MLL suffer from failures in protection for sensitive information. In this paper, we propose a novel setting named Multi-Label Learning from Privacy-Label (MLLPL), which Concealing Labels via Privacy-Label Unit (CLPLU). Specifically, during the labeling phase, each privacy-label is randomly combined with a non-privacy label to form a Privacy-Label Unit (PLU). If any label within a PLU is positive, the unit is labeled as positive; otherwise, it is labeled negative, as shown in Figure 1. PLU ensures that only non-privacy labels are appear in the label set, while the privacy-labels remain concealed. Moreover, we further propose a Privacy-Label Unit Loss (PLUL) to learn the optimal classifier by minimizing the empirical risk of PLU. Experimental results on multiple benchmark datasets demonstrate the effectiveness and superiority of the proposed method.
Authors: Tariq Berrada, Jakob Verbeek, Camille Couprie, Karteek Alahari
Semantic image synthesis, i.e., generating images from user-provided semantic label maps, is an important conditional image generation task as it allows to control both the content as well as the spatial layout of generated images. Although diffusion models have pushed the state of the art in generative image modeling, the iterative nature of their inference process makes them computationally demanding. Other approaches such as GANs are more efficient as they only need a single feed-forward pass for generation, but the image quality tends to suffer on large and diverse datasets. In this work, we propose a new class of GAN discriminators for semantic image synthesis that generates highly realistic images by exploiting feature backbone networks pre-trained for tasks such as image classification. We also introduce a new generator architecture with better context modeling and using cross-attention to inject noise into latent variables, leading to more diverse generated images. Our model, which we dub DP-SIMS, achieves state-of-the-art results in terms of image quality and consistency with the input label maps on ADE-20K, COCO-Stuff, and Cityscapes, surpassing recent diffusion models while requiring two orders of magnitude less compute for inference.
Authors: Ricardo Ferreira, Marta Guimarães, Filipa Valdeira, Cláudia Soares
Due to the importance of satellites for society and the exponential increase in the number of objects in orbit, it is important to accurately determine the state (e.g., position and velocity) of these Resident Space Objects (RSOs) at any time and in a timely manner. State-of-the-art methodologies for initial orbit determination consist of Kalman-type filters that process sequential data over time and return the state and associated uncertainty of the object, as is the case of the Extended Kalman Filter (EKF). However, these methodologies are dependent on a good initial guess for the state vector and usually simplify the physical dynamical model, due to the difficulty of precisely modeling perturbative forces, such as atmospheric drag and solar radiation pressure. Other approaches do not require assumptions about the dynamical system, such as the trilateration method, and require simultaneous measurements, such as three measurements of range and range-rate for the particular case of trilateration. We consider the same setting of simultaneous measurements (one-shot), resorting to time delay and Doppler shift measurements. Based on recent advancements in the problem of moving target localization for sonar multistatic systems, we are able to formulate the problem of initial orbit determination as a Weighted Least Squares. With this approach, we are able to directly obtain the state of the object (position and velocity) and the associated covariance matrix from the Fisher's Information Matrix (FIM). We demonstrate that, for small noise, our estimator is able to attain the Cram\'er-Rao Lower Bound accuracy, i.e., the accuracy attained by the unbiased estimator with minimum variance. We also numerically demonstrate that our estimator is able to attain better accuracy on the state estimation than the trilateration method and returns a smaller uncertainty associated with the estimation.
Authors: Tal Kadosh, Niranjan Hasabnis, Vy A. Vo, Nadav Schneider, Neva Krien, Mihai Capota, Abdul Wasay, Nesreen Ahmed, Ted Willke, Guy Tamir, Yuval Pinter, Timothy Mattson, Gal Oren
With easier access to powerful compute resources, there is a growing trend in AI for software development to develop larger language models (LLMs) to address a variety of programming tasks. Even LLMs applied to tasks from the high-performance computing (HPC) domain are huge in size and demand expensive compute resources for training. This is partly because these LLMs for HPC tasks are obtained by finetuning existing LLMs that support several natural and/or programming languages. We found this design choice confusing - why do we need large LMs trained on natural languages and programming languages unrelated to HPC for HPC-specific tasks?
In this line of work, we aim to question choices made by existing LLMs by developing smaller LMs for specific domains - we call them domain-specific LMs. Specifically, we start off with HPC as a domain and build an HPC-specific LM, named MonoCoder, that is orders of magnitude smaller than existing LMs but delivers similar, if not better performance, on non-HPC and HPC tasks. Specifically, we pre-trained MonoCoder on an HPC-specific dataset (named HPCorpus) of C and C++ programs mined from GitHub. We evaluated the performance of MonoCoder against conventional multi-lingual LLMs. Results demonstrate that MonoCoder, although much smaller than existing LMs, achieves similar results on normalized-perplexity tests and much better ones in CodeBLEU competence for high-performance and parallel code generations. Furthermore, fine-tuning the base model for the specific task of parallel code generation (OpenMP parallel for pragmas) demonstrates outstanding results compared to GPT, especially when local misleading semantics are removed by our novel pre-processor Tokompiler, showcasing the ability of domain-specific models to assist in HPC-relevant tasks.
Authors: Viacheslav Sinii, Alexander Nikulin, Vladislav Kurenkov, Ilya Zisman, Sergey Kolesnikov
Recent work has shown that supervised pre-training on learning histories of RL algorithms results in a model that captures the learning process and is able to improve in-context on novel tasks through interactions with an environment. Despite the progress in this area, there is still a gap in the existing literature, particularly in the in-context generalization to new action spaces. While existing methods show high performance on new tasks created by different reward distributions, their architectural design and training process are not suited for the introduction of new actions during evaluation. We aim to bridge this gap by developing an architecture and training methodology specifically for the task of generalizing to new action spaces. Inspired by Headless LLM, we remove the dependence on the number of actions by directly predicting the action embeddings. Furthermore, we use random embeddings to force the semantic inference of actions from context and to prepare for the new unseen embeddings during test time. Using multi-armed bandit environments with a variable number of arms, we show that our model achieves the performance of the data generation algorithm without requiring retraining for each new environment.
Authors: Tomisin Awosika, Raj Mani Shukla, Bernardi Pranggono
Fraudulent transactions and how to detect them remain a significant problem for financial institutions around the world. The need for advanced fraud detection systems to safeguard assets and maintain customer trust is paramount for financial institutions, but some factors make the development of effective and efficient fraud detection systems a challenge. One of such factors is the fact that fraudulent transactions are rare and that many transaction datasets are imbalanced; that is, there are fewer significant samples of fraudulent transactions than legitimate ones. This data imbalance can affect the performance or reliability of the fraud detection model. Moreover, due to the data privacy laws that all financial institutions are subject to follow, sharing customer data to facilitate a higher-performing centralized model is impossible. Furthermore, the fraud detection technique should be transparent so that it does not affect the user experience. Hence, this research introduces a novel approach using Federated Learning (FL) and Explainable AI (XAI) to address these challenges. FL enables financial institutions to collaboratively train a model to detect fraudulent transactions without directly sharing customer data, thereby preserving data privacy and confidentiality. Meanwhile, the integration of XAI ensures that the predictions made by the model can be understood and interpreted by human experts, adding a layer of transparency and trust to the system. Experimental results, based on realistic transaction datasets, reveal that the FL-based fraud detection system consistently demonstrates high performance metrics. This study grounds FL's potential as an effective and privacy-preserving tool in the fight against fraud.
Authors: Ahmed Abdeljawad, Philipp Grohs
While it is well-known that neural networks enjoy excellent approximation capabilities, it remains a big challenge to compute such approximations from point samples. Based on tools from Information-based complexity, recent work by Grohs and Voigtlaender [Journal of the FoCM (2023)] developed a rigorous framework for assessing this so-called "theory-to-practice gap". More precisely, in that work it is shown that there exist functions that can be approximated by neural networks with ReLU activation function at an arbitrary rate while requiring an exponentially growing (in the input dimension) number of samples for their numerical computation. The present study extends these findings by showing analogous results for the ReQU activation function.
Authors: Yiyue Chen, Haris Vikalo, Chianing Wang
Motivated by high resource costs of centralized machine learning schemes as well as data privacy concerns, federated learning (FL) emerged as an efficient alternative that relies on aggregating locally trained models rather than collecting clients' potentially private data. In practice, available resources and data distributions vary from one client to another, creating an inherent system heterogeneity that leads to deterioration of the performance of conventional FL algorithms. In this work, we present a federated quantization-based self-supervised learning scheme (Fed-QSSL) designed to address heterogeneity in FL systems. At clients' side, to tackle data heterogeneity we leverage distributed self-supervised learning while utilizing low-bit quantization to satisfy constraints imposed by local infrastructure and limited communication resources. At server's side, Fed-QSSL deploys de-quantization, weighted aggregation and re-quantization, ultimately creating models personalized to both data distribution as well as specific infrastructure of each client's device. We validated the proposed algorithm on real world datasets, demonstrating its efficacy, and theoretically analyzed impact of low-bit training on the convergence and robustness of the learned models.
Authors: Murad Tukan, Fares Fares, Yotam Grufinkle, Ido Talmor, Loay Mualem, Vladimir Braverman, Dan Feldman
Navigating toy drones through uncharted GPS-denied indoor spaces poses significant difficulties due to their reliance on GPS for location determination. In such circumstances, the necessity for achieving proper navigation is a primary concern. In response to this formidable challenge, we introduce a real-time autonomous indoor exploration system tailored for drones equipped with a monocular \emph{RGB} camera.
Our system utilizes \emph{ORB-SLAM3}, a state-of-the-art vision feature-based SLAM, to handle both the localization of toy drones and the mapping of unmapped indoor terrains. Aside from the practicability of \emph{ORB-SLAM3}, the generated maps are represented as sparse point clouds, making them prone to the presence of outlier data. To address this challenge, we propose an outlier removal algorithm with provable guarantees. Furthermore, our system incorporates a novel exit detection algorithm, ensuring continuous exploration by the toy drone throughout the unfamiliar indoor environment. We also transform the sparse point to ensure proper path planning using existing path planners.
To validate the efficacy and efficiency of our proposed system, we conducted offline and real-time experiments on the autonomous exploration of indoor spaces. The results from these endeavors demonstrate the effectiveness of our methods.
Authors: Xingyuan Zhao, Fang Liu
Applying a randomized algorithm to a subset of a dataset rather than the entire dataset is a common approach to amplify its privacy guarantees in the released information. We propose a class of subsampling methods named MUltistage Sampling Technique (MUST) for privacy amplification (PA) in the context of differential privacy (DP). We conduct comprehensive analyses of the PA effects and utility for several 2-stage MUST procedures, namely, MUST.WO, MUST.OW, and MUST.WW that respectively represent sampling with (W), without (O), with (W) replacement from the original dataset in stage I and then sampling without (O), with (W), with (W) replacement in stage II from the subset drawn in stage I. We also provide the privacy composition analysis over repeated applications of MUST via the Fourier accountant algorithm. Our theoretical and empirical results suggest that MUST.OW and MUST.WW have stronger PA in $\epsilon$ than the common one-stage sampling procedures including Poisson sampling, sampling without replacement, and sampling with replacement, while the results on $\delta$ vary case by case. We also prove that MUST.WO is equivalent to sampling with replacement in PA. Furthermore, the final subset generated by a MUST procedure is a multiset that may contain multiple copies of the same data points due to sampling with replacement involved, which enhances the computational efficiency of algorithms that require complex function calculations on distinct data points (e.g., gradient descent). Our utility experiments show that MUST delivers similar or improved utility and stability in the privacy-preserving outputs compared to one-stage subsampling methods at similar privacy loss. MUST can be seamlessly integrated into stochastic optimization algorithms or procedures that involve parallel or simultaneous subsampling (e.g., bagging and subsampling bootstrap) when DP guarantees are necessary.
Authors: Oliver Anton, Victoria A. Henderson, Elisa Da Ros, Ivan Sekulic, Sven Burger, Philipp-Immanuel Schneider, Markus Krutzik
The generation of cold atom clouds is a complex process which involves the optimization of noisy data in high dimensional parameter spaces. Optimization can be challenging both in and especially outside of the lab due to lack of time, expertise, or access for lengthy manual optimization. In recent years, it was demonstrated that machine learning offers a solution since it can optimize high dimensional problems quickly, without knowledge of the experiment itself. In this paper we present results showing the benchmarking of nine different optimization techniques and implementations, alongside their ability to optimize a Rubidium (Rb) cold atom experiment. The investigations are performed on a 3D $^{87}$Rb molasses with 10 and 18 adjustable parameters, respectively, where the atom number obtained by absorption imaging was chosen as the test problem. We further compare the best performing optimizers under different effective noise conditions by reducing the Signal-to-Noise ratio of the images via adapting the atomic vapor pressure in the 2D+ MOT and the detection laser frequency stability.
Authors: Anthony Kalaydjian, Anton Balykov, Alexi Semiz, Adrien Chan-Hon-Tong
Physical based simulations can be very time and computationally demanding tasks. One way of accelerating these processes is by making use of data-driven surrogate models that learn from existing simulations. Ensembling methods are particularly relevant in this domain as their smoothness properties coincide with the smoothness of physical phenomena. The drawback is that they can remain costly. This research project focused on studying Packed-Ensembles that generalize Deep Ensembles but remain faster to train. Several models have been trained and compared in terms of multiple important metrics. PE(8,4,1) has been identified as the clear winner in this particular task, beating down its Deep Ensemble conterpart while accelerating the training time by 25%.
Authors: Madhuri Nagare, Gregery T. Buzzard, Charles A. Bouman
Deep neural networks (DNN) are commonly used to denoise and sharpen X-ray computed tomography (CT) images with the goal of reducing patient X-ray dosage while maintaining reconstruction quality. However, naive application of DNN-based methods can result in image texture that is undesirable in clinical applications. Alternatively, generative adversarial network (GAN) based methods can produce appropriate texture, but naive application of GANs can introduce inaccurate or even unreal image detail. In this paper, we propose a texture matching generative adversarial network (TMGAN) that enhances CT images while generating an image texture that can be matched to a target texture. We use parallel generators to separate anatomical features from the generated texture, which allows the GAN to be trained to match the desired texture without directly affecting the underlying CT image. We demonstrate that TMGAN generates enhanced image quality while also producing image texture that is desirable for clinical application.
Authors: Prune Inzerilli, Vladimir Kostic, Karim Lounici, Pietro Novelli, Massimiliano Pontil
We study the evolution of distributions under the action of an ergodic dynamical system, which may be stochastic in nature. By employing tools from Koopman and transfer operator theory one can evolve any initial distribution of the state forward in time, and we investigate how estimators of these operators perform on long-term forecasting. Motivated by the observation that standard estimators may fail at this task, we introduce a learning paradigm that neatly combines classical techniques of eigenvalue deflation from operator theory and feature centering from statistics. This paradigm applies to any operator estimator based on empirical risk minimization, making them satisfy learning bounds which hold uniformly on the entire trajectory of future distributions, and abide to the conservation of mass for each of the forecasted distributions. Numerical experiments illustrates the advantages of our approach in practice.
Authors: Alexander Braylan, Madalyn Marabella, Omar Alonso, Matthew Lease
Human annotations are vital to supervised learning, yet annotators often disagree on the correct label, especially as annotation tasks increase in complexity. A strategy to improve label quality is to ask multiple annotators to label the same item and aggregate their labels. Many aggregation models have been proposed for categorical or numerical annotation tasks, but far less work has considered more complex annotation tasks involving open-ended, multivariate, or structured responses. While a variety of bespoke models have been proposed for specific tasks, our work is the first to introduce aggregation methods that generalize across many diverse complex tasks, including sequence labeling, translation, syntactic parsing, ranking, bounding boxes, and keypoints. This generality is achieved by devising a task-agnostic method to model distances between labels rather than the labels themselves.
This article extends our prior work with investigation of three new research questions. First, how do complex annotation properties impact aggregation accuracy? Second, how should a task owner navigate the many modeling choices to maximize aggregation accuracy? Finally, what diagnoses can verify that aggregation models are specified correctly for the given data? To understand how various factors impact accuracy and to inform model selection, we conduct simulation studies and experiments on real, complex datasets. Regarding testing, we introduce unit tests for aggregation models and present a suite of such tests to ensure that a given model is not mis-specified and exhibits expected behavior.
Beyond investigating these research questions above, we discuss the foundational concept of annotation complexity, present a new aggregation model as a bridge between traditional models and our own, and contribute a new semi-supervised learning method for complex label aggregation that outperforms prior work.
Authors: Shubhangi Ghosh, Luigi Gresele, Julius von Kügelgen, Michel Besserve, Bernhard Schölkopf
Independent Mechanism Analysis (IMA) seeks to address non-identifiability in nonlinear Independent Component Analysis (ICA) by assuming that the Jacobian of the mixing function has orthogonal columns. As typical in ICA, previous work focused on the case with an equal number of latent components and observed mixtures. Here, we extend IMA to settings with a larger number of mixtures that reside on a manifold embedded in a higher-dimensional than the latent space -- in line with the manifold hypothesis in representation learning. For this setting, we show that IMA still circumvents several non-identifiability issues, suggesting that it can also be a beneficial principle for higher-dimensional observations when the manifold hypothesis holds. Further, we prove that the IMA principle is approximately satisfied with high probability (increasing with the number of observed mixtures) when the directions along which the latent components influence the observations are chosen independently at random. This provides a new and rigorous statistical interpretation of IMA.
Authors: Aleksandra Pachalieva, Jeffrey D. Hyman, Daniel O'Malley, Hari Viswanathan, Gowri Srinivasan
We perform a set of flow and reactive transport simulations within three-dimensional fracture networks to learn the factors controlling mineral reactions. CO$_2$ mineralization requires CO$_2$-laden water, dissolution of a mineral that then leads to precipitation of a CO$_2$-bearing mineral. Our discrete fracture networks (DFN) are partially filled with quartz that gradually dissolves until it reaches a quasi-steady state. At the end of the simulation, we measure the quartz remaining in each fracture within the domain. We observe that a small backbone of fracture exists, where the quartz is fully dissolved which leads to increased flow and transport. However, depending on the DFN topology and the rate of dissolution, we observe a large variability of these changes, which indicates an interplay between the fracture network structure and the impact of geochemical dissolution. In this work, we developed a machine learning framework to extract the important features that support mineralization in the form of dissolution. In addition, we use structural and topological features of the fracture network to predict the remaining quartz volume in quasi-steady state conditions. As a first step to characterizing carbon mineralization, we study dissolution with this framework. We studied a variety of reaction and fracture parameters and their impact on the dissolution of quartz in fracture networks. We found that the dissolution reaction rate constant of quartz and the distance to the flowing backbone in the fracture network are the two most important features that control the amount of quartz left in the system. For the first time, we use a combination of a finite-volume reservoir model and graph-based approach to study reactive transport in a complex fracture network to determine the key features that control dissolution.
Authors: Yixuan Li, Ariane Marelli, Archer Y. Yang, Yue Li
Objective: To improve survival analysis using EHR data, we aim to develop a supervised topic model called MixEHR-SurG to simultaneously integrate heterogeneous EHR data and model survival hazard.
Materials and Methods: Our technical contributions are three-folds: (1) integrating EHR topic inference with Cox proportional hazards likelihood; (2) inferring patient-specific topic hyperparameters using the PheCode concepts such that each topic can be identified with exactly one PheCode-associated phenotype; (3) multi-modal survival topic inference. This leads to a highly interpretable survival and guided topic model that can infer PheCode-specific phenotype topics associated with patient mortality. We evaluated MixEHR-G using a simulated dataset and two real-world EHR datasets: the Quebec Congenital Heart Disease (CHD) data consisting of 8,211 subjects with 75,187 outpatient claim data of 1,767 unique ICD codes; the MIMIC-III consisting of 1,458 subjects with multi-modal EHR records.
Results: Compared to the baselines, MixEHR-G achieved a superior dynamic AUROC for mortality prediction, with a mean AUROC score of 0.89 in the simulation dataset and a mean AUROC of 0.645 on the CHD dataset. Qualitatively, MixEHR-G associates severe cardiac conditions with high mortality risk among the CHD patients after the first heart failure hospitalization and critical brain injuries with increased mortality among the MIMIC-III patients after their ICU discharge.
Conclusion: The integration of the Cox proportional hazards model and EHR topic inference in MixEHR-SurG led to not only competitive mortality prediction but also meaningful phenotype topics for systematic survival analysis. The software is available at GitHub: https://github.com/li-lab-mcgill/MixEHR-SurG.
Authors: Paris A. Karakasis, Nicholas D. Sidiropoulos
Canonical correlation analysis (CCA) is a classic statistical method for discovering latent co-variation that underpins two or more observed random vectors. Several extensions and variations of CCA have been proposed that have strengthened our capabilities in terms of revealing common random factors from multiview datasets. In this work, we first revisit the most recent deterministic extensions of deep CCA and highlight the strengths and limitations of these state-of-the-art methods. Some methods allow trivial solutions, while others can miss weak common factors. Others overload the problem by also seeking to reveal what is not common among the views -- i.e., the private components that are needed to fully reconstruct each view. The latter tends to overload the problem and its computational and sample complexities. Aiming to improve upon these limitations, we design a novel and efficient formulation that alleviates some of the current restrictions. The main idea is to model the private components as conditionally independent given the common ones, which enables the proposed compact formulation. In addition, we also provide a sufficient condition for identifying the common random factors. Judicious experiments with synthetic and real datasets showcase the validity of our claims and the effectiveness of the proposed approach.
Authors: Sudharshan Suresh, Haozhi Qi, Tingfan Wu, Taosha Fan, Luis Pineda, Mike Lambeta, Jitendra Malik, Mrinal Kalakrishnan, Roberto Calandra, Michael Kaess, Joseph Ortiz, Mustafa Mukadam
To achieve human-level dexterity, robots must infer spatial awareness from multimodal sensing to reason over contact interactions. During in-hand manipulation of novel objects, such spatial awareness involves estimating the object's pose and shape. The status quo for in-hand perception primarily employs vision, and restricts to tracking a priori known objects. Moreover, visual occlusion of objects in-hand is imminent during manipulation, preventing current systems to push beyond tasks without occlusion. We combine vision and touch sensing on a multi-fingered hand to estimate an object's pose and shape during in-hand manipulation. Our method, NeuralFeels, encodes object geometry by learning a neural field online and jointly tracks it by optimizing a pose graph problem. We study multimodal in-hand perception in simulation and the real-world, interacting with different objects via a proprioception-driven policy. Our experiments show final reconstruction F-scores of $81$% and average pose drifts of $4.7\,\text{mm}$, further reduced to $2.3\,\text{mm}$ with known CAD models. Additionally, we observe that under heavy visual occlusion we can achieve up to $94$% improvements in tracking compared to vision-only methods. Our results demonstrate that touch, at the very least, refines and, at the very best, disambiguates visual estimates during in-hand manipulation. We release our evaluation dataset of 70 experiments, FeelSight, as a step towards benchmarking in this domain. Our neural representation driven by multimodal sensing can serve as a perception backbone towards advancing robot dexterity. Videos can be found on our project website https://suddhu.github.io/neural-feels/
Authors: Leonardo Banchi
Many inference scenarios rely on extracting relevant information from known data in order to make future predictions. When the underlying stochastic process satisfies certain assumptions, there is a direct mapping between its exact classical and quantum simulators, with the latter asymptotically using less memory. Here we focus on studying whether such quantum advantage persists when those assumptions are not satisfied, and the model is doomed to have imperfect accuracy. By studying the trade-off between accuracy and memory requirements, we show that quantum models can reach the same accuracy with less memory, or alternatively, better accuracy with the same memory. Finally, we discuss the implications of this result for learning tasks.
Authors: Rafael Orozco, Philipp Witte, Mathias Louboutin, Ali Siahkoohi, Gabrio Rizzuti, Bas Peters, Felix J. Herrmann
InvertibleNetworks.jl is a Julia package designed for the scalable implementation of normalizing flows, a method for density estimation and sampling in high-dimensional distributions. This package excels in memory efficiency by leveraging the inherent invertibility of normalizing flows, which significantly reduces memory requirements during backpropagation compared to existing normalizing flow packages that rely on automatic differentiation frameworks. InvertibleNetworks.jl has been adapted for diverse applications, including seismic imaging, medical imaging, and CO2 monitoring, demonstrating its effectiveness in learning high-dimensional distributions.
Authors: Piotr M. Suder, Jason Xu, David B. Dunson
Transfer learning is a burgeoning concept in statistical machine learning that seeks to improve inference and/or predictive accuracy on a domain of interest by leveraging data from related domains. While the term "transfer learning" has garnered much recent interest, its foundational principles have existed for years under various guises. Prior literature reviews in computer science and electrical engineering have sought to bring these ideas into focus, primarily surveying general methodologies and works from these disciplines. This article highlights Bayesian approaches to transfer learning, which have received relatively limited attention despite their innate compatibility with the notion of drawing upon prior knowledge to guide new learning tasks. Our survey encompasses a wide range of Bayesian transfer learning frameworks applicable to a variety of practical settings. We discuss how these methods address the problem of finding the optimal information to transfer between domains, which is a central question in transfer learning. We illustrate the utility of Bayesian transfer learning methods via a simulation study where we compare performance against frequentist competitors.
Authors: Yilang Zhang, Bingcong Li, Georgios B. Giannakis
Utilizing task-invariant prior knowledge extracted from related tasks, meta-learning is a principled framework that empowers learning a new task especially when data records are limited. A fundamental challenge in meta-learning is how to quickly "adapt" the extracted prior in order to train a task-specific model within a few optimization steps. Existing approaches deal with this challenge using a preconditioner that enhances convergence of the per-task training process. Though effective in representing locally a quadratic training loss, these simple linear preconditioners can hardly capture complex loss geometries. The present contribution addresses this limitation by learning a nonlinear mirror map, which induces a versatile distance metric to enable capturing and optimizing a wide range of loss geometries, hence facilitating the per-task training. Numerical tests on few-shot learning datasets demonstrate the superior expressiveness and convergence of the advocated approach.
Authors: Guangyin Bao, Qi Zhang, Duoqian Miao, Zixuan Gong, Liang Hu
In real-world scenarios, multimodal federated learning often faces the practical challenge of intricate modality missing, which poses constraints on building federated frameworks and significantly degrades model inference accuracy. Existing solutions for addressing missing modalities generally involve developing modality-specific encoders on clients and training modality fusion modules on servers. However, these methods are primarily constrained to specific scenarios with either unimodal clients or complete multimodal clients, struggling to generalize effectively in the intricate modality missing scenarios. In this paper, we introduce a prototype library into the FedAvg-based Federated Learning framework, thereby empowering the framework with the capability to alleviate the global model performance degradation resulting from modality missing during both training and testing. The proposed method utilizes prototypes as masks representing missing modalities to formulate a task-calibrated training loss and a model-agnostic uni-modality inference strategy. In addition, a proximal term based on prototypes is constructed to enhance local training. Experimental results demonstrate the state-of-the-art performance of our approach. Compared to the baselines, our method improved inference accuracy by 3.7\% with 50\% modality missing during training and by 23.8\% during uni-modality inference. Code is available at https://github.com/BaoGuangYin/PmcmFL.
Authors: Kévin Garanger, Julie Kraus, Julian J. Rimoli
The use of machine learning techniques to homogenize the effective behavior of arbitrary microstructures has been shown to be not only efficient but also accurate. In a recent work, we demonstrated how to combine state-of-the-art micromechanical modeling and advanced machine learning techniques to homogenize complex microstructures exhibiting non-linear and history dependent behaviors. The resulting homogenized model, termed smart constitutive law (SCL), enables the adoption of microstructurally informed constitutive laws into finite element solvers at a fraction of the computational cost required by traditional concurrent multiscale approaches. In this work, the capabilities of SCLs are expanded via the introduction of a novel methodology that enforces material symmetries at the neuron level, applicable across various neural network architectures. This approach utilizes tensor-based features in neural networks, facilitating the concise and accurate representation of symmetry-preserving operations, and is general enough to be extend to problems beyond constitutive modeling. Details on the construction of these tensor-based neural networks and their application in learning constitutive laws are presented for both elastic and inelastic materials. The superiority of this approach over traditional neural networks is demonstrated in scenarios with limited data and strong symmetries, through comprehensive testing on various materials, including isotropic neo-Hookean materials and tensegrity lattice metamaterials. This work is concluded by a discussion on the potential of this methodology to discover symmetry bases in materials and by an outline of future research directions.
Authors: Sahil Nokhwal, Manoj Chandrasekharan, Ankit Chaudhary
Various methods have been proposed to secure access to sensitive information over time, such as the many cryptographic methods in use to facilitate secure communications on the internet. But other methods like steganography have been overlooked which may be more suitable in cases where the act of transmission of sensitive information itself should remain a secret. Multiple techniques that are commonly discussed for such scenarios suffer from low capacity and high distortion in the output signal. This research introduces a novel steganographic approach for concealing a confidential portable document format (PDF) document within a host image by employing the Hybrid Firefly algorithm (HFA) proposed to select the pixel arrangement. This algorithm combines two widely used optimization algorithms to improve their performance. The suggested methodology utilizes the HFA algorithm to conduct a search for optimal pixel placements in the spatial domain. The purpose of this search is to accomplish two main goals: increasing the host image's capacity and reducing distortion. Moreover, the proposed approach intends to reduce the time required for the embedding procedure. The findings indicate a decrease in image distortion and an accelerated rate of convergence in the search process. The resultant embeddings exhibit robustness against steganalytic assaults, hence rendering the identification of the embedded data a formidable undertaking.
Authors: Yu-Zheng Lin, Muntasir Mamun, Muhtasim Alam Chowdhury, Shuyu Cai, Mingyu Zhu, Banafsheh Saber Latibari, Kevin Immanuel Gubbi, Najmeh Nazari Bavarsad, Arjun Caputo, Avesta Sasan, Houman Homayoun, Setareh Rafatirad, Pratik Satam, Soheil Salehi
The escalating complexity of modern computing frameworks has resulted in a surge in the cybersecurity vulnerabilities reported to the National Vulnerability Database (NVD) by practitioners. Despite the fact that the stature of NVD is one of the most significant databases for the latest insights into vulnerabilities, extracting meaningful trends from such a large amount of unstructured data is still challenging without the application of suitable technological methodologies. Previous efforts have mostly concentrated on software vulnerabilities; however, a holistic strategy incorporates approaches for mitigating vulnerabilities, score prediction, and a knowledge-generating system that may extract relevant insights from the Common Weakness Enumeration (CWE) and Common Vulnerability Exchange (CVE) databases is notably absent. As the number of hardware attacks on Internet of Things (IoT) devices continues to rapidly increase, we present the Hardware Vulnerability to Weakness Mapping (HW-V2W-Map) Framework, which is a Machine Learning (ML) framework focusing on hardware vulnerabilities and IoT security. The architecture that we have proposed incorporates an Ontology-driven Storytelling framework, which automates the process of updating the ontology in order to recognize patterns and evolution of vulnerabilities over time and provides approaches for mitigating the vulnerabilities. The repercussions of vulnerabilities can be mitigated as a result of this, and conversely, future exposures can be predicted and prevented. Furthermore, our proposed framework utilized Generative Pre-trained Transformer (GPT) Large Language Models (LLMs) to provide mitigation suggestions.
Authors: Siyang Luo, Ziyi Jiang, Zhenghan Chen, Xiaoxuan Liang
Despite the remarkable accomplishments of graph neural networks (GNNs), they typically rely on task-specific labels, posing potential challenges in terms of their acquisition. Existing work have been made to address this issue through the lens of unsupervised domain adaptation, wherein labeled source graphs are utilized to enhance the learning process for target data. However, the simultaneous exploration of graph topology and reduction of domain disparities remains a substantial hurdle. In this paper, we introduce the Dual Adversarial Graph Representation Learning (DAGRL), which explore the graph topology from dual branches and mitigate domain discrepancies via dual adversarial learning. Our method encompasses a dual-pronged structure, consisting of a graph convolutional network branch and a graph kernel branch, which enables us to capture graph semantics from both implicit and explicit perspectives. Moreover, our approach incorporates adaptive perturbations into the dual branches, which align the source and target distribution to address domain discrepancies. Extensive experiments on a wild range graph classification datasets demonstrate the effectiveness of our proposed method.
Authors: Tao Wu, Tie Luo, Donald C. Wunsch
The capacity to generalize to future unseen data stands as one of the utmost crucial attributes of deep neural networks. Sharpness-Aware Minimization (SAM) aims to enhance the generalizability by minimizing worst-case loss using one-step gradient ascent as an approximation. However, as training progresses, the non-linearity of the loss landscape increases, rendering one-step gradient ascent less effective. On the other hand, multi-step gradient ascent will incur higher training cost. In this paper, we introduce a normalized Hessian trace to accurately measure the curvature of loss landscape on {\em both} training and test sets. In particular, to counter excessive non-linearity of loss landscape, we propose Curvature Regularized SAM (CR-SAM), integrating the normalized Hessian trace as a SAM regularizer. Additionally, we present an efficient way to compute the trace via finite differences with parallelism. Our theoretical analysis based on PAC-Bayes bounds establishes the regularizer's efficacy in reducing generalization error. Empirical evaluation on CIFAR and ImageNet datasets shows that CR-SAM consistently enhances classification performance for ResNet and Vision Transformer (ViT) models across various datasets. Our code is available at https://github.com/TrustAIoT/CR-SAM.
Authors: Pratyusha Sharma, Jordan T. Ash, Dipendra Misra
Transformer-based Large Language Models (LLMs) have become a fixture in modern machine learning. Correspondingly, significant resources are allocated towards research that aims to further advance this technology, typically resulting in models of increasing size that are trained on increasing amounts of data. This work, however, demonstrates the surprising result that it is often possible to significantly improve the performance of LLMs by selectively removing higher-order components of their weight matrices. This simple intervention, which we call LAyer-SElective Rank reduction (LASER), can be done on a model after training has completed, and requires no additional parameters or data. We show extensive experiments demonstrating the generality of this finding across language models and datasets, and provide in-depth analyses offering insights into both when LASER is effective and the mechanism by which it operates.
Authors: Ryan Campbell, Junsang Yoon
This paper investigates the impact of using gradient norm reward signals in the context of Automatic Curriculum Learning (ACL) for deep reinforcement learning (DRL). We introduce a framework where the teacher model, utilizing the gradient norm information of a student model, dynamically adapts the learning curriculum. This approach is based on the hypothesis that gradient norms can provide a nuanced and effective measure of learning progress. Our experimental setup involves several reinforcement learning environments (PointMaze, AntMaze, and AdroitHandRelocate), to assess the efficacy of our method. We analyze how gradient norm rewards influence the teacher's ability to craft challenging yet achievable learning sequences, ultimately enhancing the student's performance. Our results show that this approach not only accelerates the learning process but also leads to improved generalization and adaptability in complex tasks. The findings underscore the potential of gradient norm signals in creating more efficient and robust ACL systems, opening new avenues for research in curriculum learning and reinforcement learning.
Authors: Peng Zhao, Jiehua Zhang, Bowen Peng, Longguang Wang, YingMei Wei, Yu Liu, Li Liu
Network binarization exhibits great potential for deployment on resource-constrained devices due to its low computational cost. Despite the critical importance, the security of binarized neural networks (BNNs) is rarely investigated. In this paper, we present ARBiBench, a comprehensive benchmark to evaluate the robustness of BNNs against adversarial perturbations on CIFAR-10 and ImageNet. We first evaluate the robustness of seven influential BNNs on various white-box and black-box attacks. The results reveal that 1) The adversarial robustness of BNNs exhibits a completely opposite performance on the two datasets under white-box attacks. 2) BNNs consistently exhibit better adversarial robustness under black-box attacks. 3) Different BNNs exhibit certain similarities in their robustness performance. Then, we conduct experiments to analyze the adversarial robustness of BNNs based on these insights. Our research contributes to inspiring future research on enhancing the robustness of BNNs and advancing their application in real-world scenarios.
Authors: Yifei Sun, Qi Zhu, Yang Yang, Chunping Wang, Tianyu Fan, Jiajun Zhu, Lei Chen
Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between pre-training and downstream datasets, which, however, does not hold in many real-world scenarios. Existing works have shown that the structural divergence between pre-training and downstream graphs significantly limits the transferability when using the vanilla fine-tuning strategy. This divergence leads to model overfitting on pre-training graphs and causes difficulties in capturing the structural properties of the downstream graphs. In this paper, we identify the fundamental cause of structural divergence as the discrepancy of generative patterns between the pre-training and downstream graphs. Furthermore, we propose G-Tuning to preserve the generative patterns of downstream graphs. Given a downstream graph G, the core idea is to tune the pre-trained GNN so that it can reconstruct the generative patterns of G, the graphon W. However, the exact reconstruction of a graphon is known to be computationally expensive. To overcome this challenge, we provide a theoretical analysis that establishes the existence of a set of alternative graphons called graphon bases for any given graphon. By utilizing a linear combination of these graphon bases, we can efficiently approximate W. This theoretical finding forms the basis of our proposed model, as it enables effective learning of the graphon bases and their associated coefficients. Compared with existing algorithms, G-Tuning demonstrates an average improvement of 0.5% and 2.6% on in-domain and out-of-domain transfer learning experiments, respectively.
Authors: Harsha Vardhan Tetali, Joel B. Harley, Benjamin D. Haeffele
With the recent success of representation learning methods, which includes deep learning as a special case, there has been considerable interest in developing techniques that incorporate known physical constraints into the learned representation. As one example, in many applications that involve a signal propagating through physical media (e.g., optics, acoustics, fluid dynamics, etc), it is known that the dynamics of the signal must satisfy constraints imposed by the wave equation. Here we propose a matrix factorization technique that decomposes such signals into a sum of components, where each component is regularized to ensure that it {nearly} satisfies wave equation constraints. Although our proposed formulation is non-convex, we prove that our model can be efficiently solved to global optimality. Through this line of work we establish theoretical connections between wave-informed learning and filtering theory in signal processing. We further demonstrate the application of this work on modal analysis problems commonly arising in structural diagnostics and prognostics.
Authors: Zhixiang Su, Di Wang, Chunyan Miao, Lizhen Cui
Aiming to accurately predict missing edges representing relations between entities, which are pervasive in real-world Knowledge Graphs (KGs), relation prediction plays a critical role in enhancing the comprehensiveness and utility of KGs. Recent research focuses on path-based methods due to their inductive and explainable properties. However, these methods face a great challenge when lots of reasoning paths do not form Closed Paths (CPs) in the KG. To address this challenge, we propose Anchoring Path Sentence Transformer (APST) by introducing Anchoring Paths (APs) to alleviate the reliance of CPs. Specifically, we develop a search-based description retrieval method to enrich entity descriptions and an assessment mechanism to evaluate the rationality of APs. APST takes both APs and CPs as the inputs of a unified Sentence Transformer architecture, enabling comprehensive predictions and high-quality explanations. We evaluate APST on three public datasets and achieve state-of-the-art (SOTA) performance in 30 of 36 transductive, inductive, and few-shot experimental settings.
Authors: Srinivasa Pranav, José M. F. Moura
Peer-to-peer deep learning algorithms are enabling distributed edge devices to collaboratively train deep neural networks without exchanging raw training data or relying on a central server. Peer-to-Peer Learning (P2PL) and other algorithms based on Distributed Local-Update Stochastic/mini-batch Gradient Descent (local DSGD) rely on interleaving epochs of training with distributed consensus steps. This process leads to model parameter drift/divergence amongst participating devices in both IID and non-IID settings. We observe that model drift results in significant oscillations in test performance evaluated after local training and consensus phases. We then identify factors that amplify performance oscillations and demonstrate that our novel approach, P2PL with Affinity, dampens test performance oscillations in non-IID settings without incurring any additional communication cost.
Authors: Zheshun Wu, Zenglin Xu, Dun Zeng, Junfan Li, Jie Liu
With the proliferation of intelligent mobile devices in wireless device-to-device (D2D) networks, decentralized federated learning (DFL) has attracted significant interest. Compared to centralized federated learning (CFL), DFL mitigates the risk of central server failures due to communication bottlenecks. However, DFL faces several challenges, such as the severe heterogeneity of data distributions in diverse environments, and the transmission outages and package errors caused by the adoption of the User Datagram Protocol (UDP) in D2D networks. These challenges often degrade the convergence of training DFL models. To address these challenges, we conduct a thorough theoretical convergence analysis for DFL and derive a convergence bound. By defining a novel quantity named unreliable links-aware neighborhood discrepancy in this convergence bound, we formulate a tractable optimization objective, and develop a novel Topology Learning method considering the Representation Discrepancy and Unreliable Links in DFL, named ToLRDUL. Intensive experiments under both feature skew and label skew settings have validated the effectiveness of our proposed method, demonstrating improved convergence speed and test accuracy, consistent with our theoretical findings.
Authors: Weiting Tan, Chu-cheng Lin, Jason Eisner
Neural finite-state transducers (NFSTs) form an expressive family of neurosymbolic sequence transduction models. An NFST models each string pair as having been generated by a latent path in a finite-state transducer. As they are deep generative models, both training and inference of NFSTs require inference networks that approximate posterior distributions over such latent variables. In this paper, we focus on the resulting challenge of imputing the latent alignment path that explains a given pair of input and output strings (e.g., during training). We train three autoregressive approximate models for amortized inference of the path, which can then be used as proposal distributions for importance sampling. All three models perform lookahead. Our most sophisticated (and novel) model leverages the FST structure to consider the graph of future paths; unfortunately, we find that it loses out to the simpler approaches -- except on an artificial task that we concocted to confuse the simpler approaches.
Authors: Nishtha Madaan, Srikanta Bedathur
Generating counterfactual explanations is one of the most effective approaches for uncovering the inner workings of black-box neural network models and building user trust. While remarkable strides have been made in generative modeling using diffusion models in domains like vision, their utility in generating counterfactual explanations in structured modalities remains unexplored. In this paper, we introduce Structured Counterfactual Diffuser or SCD, the first plug-and-play framework leveraging diffusion for generating counterfactual explanations in structured data. SCD learns the underlying data distribution via a diffusion model which is then guided at test time to generate counterfactuals for any arbitrary black-box model, input, and desired prediction. Our experiments show that our counterfactuals not only exhibit high plausibility compared to the existing state-of-the-art but also show significantly better proximity and diversity.
Authors: Ruichu Cai, Yuxuan Zhu, Jie Qiao, Zefeng Liang, Furui Liu, Zhifeng Hao
Deep neural networks (DNNs) have been demonstrated to be vulnerable to well-crafted \emph{adversarial examples}, which are generated through either well-conceived $\mathcal{L}_p$-norm restricted or unrestricted attacks. Nevertheless, the majority of those approaches assume that adversaries can modify any features as they wish, and neglect the causal generating process of the data, which is unreasonable and unpractical. For instance, a modification in income would inevitably impact features like the debt-to-income ratio within a banking system. By considering the underappreciated causal generating process, first, we pinpoint the source of the vulnerability of DNNs via the lens of causality, then give theoretical results to answer \emph{where to attack}. Second, considering the consequences of the attack interventions on the current state of the examples to generate more realistic adversarial examples, we propose CADE, a framework that can generate \textbf{C}ounterfactual \textbf{AD}versarial \textbf{E}xamples to answer \emph{how to attack}. The empirical results demonstrate CADE's effectiveness, as evidenced by its competitive performance across diverse attack scenarios, including white-box, transfer-based, and random intervention attacks.
Authors: Zhiyu Zhu, Huaming Chen, Jiayu Zhang, Xinyi Wang, Zhibo Jin, Minhui Xue, Dongxiao Zhu, Kim-Kwang Raymond Choo
To better understand the output of deep neural networks (DNN), attribution based methods have been an important approach for model interpretability, which assign a score for each input dimension to indicate its importance towards the model outcome. Notably, the attribution methods use the axioms of sensitivity and implementation invariance to ensure the validity and reliability of attribution results. Yet, the existing attribution methods present challenges for effective interpretation and efficient computation. In this work, we introduce MFABA, an attribution algorithm that adheres to axioms, as a novel method for interpreting DNN. Additionally, we provide the theoretical proof and in-depth analysis for MFABA algorithm, and conduct a large scale experiment. The results demonstrate its superiority by achieving over 101.5142 times faster speed than the state-of-the-art attribution algorithms. The effectiveness of MFABA is thoroughly evaluated through the statistical analysis in comparison to other methods, and the full implementation package is open-source at: https://github.com/LMBTough/MFABA
Authors: Waris Gill (1), Ali Anwar (2), Muhammad Ali Gulzar (1) ((1) Virginia Tech, (2) University of Minnesota Twin Cities)
Federated Learning (FL) trains a collaborative machine learning model by aggregating multiple privately trained clients' models over several training rounds. Such a long, continuous action of model aggregations poses significant challenges in reasoning about the origin and composition of such a global model. Regardless of the quality of the global model or if it has a fault, understanding the model's origin is equally important for debugging, interpretability, and explainability in federated learning. FL application developers often question: (1) what clients contributed towards a global model and (2) if a global model predicts a label, which clients are responsible for it?
We introduce, neuron provenance, a fine-grained lineage capturing mechanism that tracks the flow of information between the individual participating clients in FL and the final global model. We operationalize this concept in ProvFL that functions on two key principles. First, recognizing that monitoring every neuron of every client's model statically is ineffective and noisy due to the uninterpretable nature of individual neurons, ProvFL dynamically isolates influential and sensitive neurons in the global model, significantly reducing the search space. Second, as multiple clients' models are fused in each round to form a global model, tracking each client's contribution becomes challenging. ProvFL leverages the invertible nature of fusion algorithms to precisely isolate each client's contribution derived from selected neurons. When asked to localize the clients responsible for the given behavior (i.e., prediction) of the global model, ProvFL successfully localizes them with an average provenance accuracy of 97%. Additionally, ProvFL outperforms the state-of-the-art FL fault localization approach by an average margin of 50%.
Authors: Yoshiaki Kawase
Quantum neural networks are expected to be a promising application in near-term quantum computation, but face challenges such as vanishing gradients during optimization and limited expressibility by a limited number of qubits and shallow circuits. To mitigate these challenges, distributed quantum neural networks have been proposed to make a prediction by approximating a large circuit with multiple small circuits. However, the approximation of a large circuit requires an exponential number of small circuit evaluations. Here, we instead propose to distribute partitioned features over multiple small quantum neural networks and use the ensemble of their expectation values to generate predictions. To verify our distributed approach, we demonstrate multi-class classifications of handwritten digit datasets. Especially for the MNIST dataset, we succeeded in ten class classifications of the dataset with exceeding 96% accuracy. Our proposed method not only achieved highly accurate predictions for a large dataset but also reduced the hardware requirements for each quantum neural network compared to a single quantum neural network. Our results highlight distributed quantum neural networks as a promising direction for practical quantum machine learning algorithms compatible with near-term quantum devices. We hope that our approach is useful for exploring quantum machine learning applications.
Authors: Xinyi He, Mengyu Zhou, Xinrun Xu, Xiaojun Ma, Rui Ding, Lun Du, Yan Gao, Ran Jia, Xu Chen, Shi Han, Zejian Yuan, Dongmei Zhang
Tabular data analysis is crucial in various fields, and large language models show promise in this area. However, current research mostly focuses on rudimentary tasks like Text2SQL and TableQA, neglecting advanced analysis like forecasting and chart generation. To address this gap, we developed the Text2Analysis benchmark, incorporating advanced analysis tasks that go beyond the SQL-compatible operations and require more in-depth analysis. We also develop five innovative and effective annotation methods, harnessing the capabilities of large language models to enhance data quality and quantity. Additionally, we include unclear queries that resemble real-world user questions to test how well models can understand and tackle such challenges. Finally, we collect 2249 query-result pairs with 347 tables. We evaluate five state-of-the-art models using three different metrics and the results show that our benchmark presents introduces considerable challenge in the field of tabular data analysis, paving the way for more advanced research opportunities.
Authors: Ken Trotti, Samuel A. Cruz Alegría, Alena Kopaničáková, Rolf Krause
We propose to train neural networks (NNs) using a novel variant of the ``Additively Preconditioned Trust-region Strategy'' (APTS). The proposed method is based on a parallelizable additive domain decomposition approach applied to the neural network's parameters. Built upon the TR framework, the APTS method ensures global convergence towards a minimizer. Moreover, it eliminates the need for computationally expensive hyper-parameter tuning, as the TR algorithm automatically determines the step size in each iteration. We demonstrate the capabilities, strengths, and limitations of the proposed APTS training method by performing a series of numerical experiments. The presented numerical study includes a comparison with widely used training methods such as SGD, Adam, LBFGS, and the standard TR method.
Authors: Kamil Deja, Bartosz Cywiński, Jan Rybarczyk, Tomasz Trzciński
In this work, we introduce Adapt & Align, a method for continual learning of neural networks by aligning latent representations in generative models. Neural Networks suffer from abrupt loss in performance when retrained with additional training data from different distributions. At the same time, training with additional data without access to the previous examples rarely improves the model's performance. In this work, we propose a new method that mitigates those problems by employing generative models and splitting the process of their update into two parts. In the first one, we train a local generative model using only data from a new task. In the second phase, we consolidate latent representations from the local model with a global one that encodes knowledge of all past experiences. We introduce our approach with Variational Auteoncoders and Generative Adversarial Networks. Moreover, we show how we can use those generative models as a general method for continual knowledge consolidation that can be used in downstream tasks such as classification.
Authors: Kishu Gupta, Ashwani Kush
Sensitive data leakage is the major growing problem being faced by enterprises in this technical era. Data leakage causes severe threats for organization of data safety which badly affects the reputation of organizations. Data leakage is the flow of sensitive data/information from any data holder to an unauthorized destination. Data leak prevention (DLP) is set of techniques that try to alleviate the threats which may hinder data security. DLP unveils guilty user responsible for data leakage and ensures that user without appropriate permission cannot access sensitive data and also provides protection to sensitive data if sensitive data is shared accidentally. In this paper, data leakage prevention (DLP) model is used to restrict/grant data access permission to user, based on the forecast of their access to data. This study provides a DLP solution using data statistical analysis to forecast the data access possibilities of any user in future based on the access to data in the past. The proposed approach makes use of renowned simple piecewise linear function for learning/training to model. The results show that the proposed DLP approach with high level of precision can correctly classify between users even in cases of extreme data access.
Authors: Kishu Gupta, Ashwani Kush
Data is the key asset for organizations and data sharing is lifeline for organization growth; which may lead to data loss. Data leakage is the most critical issue being faced by organizations. In order to mitigate the data leakage issues data leakage prevention systems (DLPSs) are deployed at various levels by the organizations. DLPSs are capable to protect all kind of data i.e. DAR, DIM/DIT, DIU. Statistical analysis, regular expression, data fingerprinting are common approaches exercised in DLP system. Out of these techniques; statistical analysis approach is most appropriate for proposed DLP model of data security. This paper defines a statistical DLP model for document classification. Model uses various statistical approaches like TF-IDF (Term Frequency- Inverse Document Frequency) a renowned term count/weighing function, Vectorization, Gradient boosting document classification etc. to classify the documents before allowing any access to it. Machine learning is used to test and train the model. Proposed model also introduces an extremely efficient and more accurate approach; IGBCA (Improvised Gradient Boosting Classification Algorithm); for document classification, to prevent them from possible data leakage. Results depicts that proposed model can classify documents with high accuracy and on basis of which data can be prevented from being loss.
Authors: Yuanfu Wang, Chao Yang, Ying Wen, Yu Liu, Yu Qiao
Recent advancements in offline reinforcement learning (RL) have underscored the capabilities of Return-Conditioned Supervised Learning (RCSL), a paradigm that learns the action distribution based on target returns for each state in a supervised manner. However, prevailing RCSL methods largely focus on deterministic trajectory modeling, disregarding stochastic state transitions and the diversity of future trajectory distributions. A fundamental challenge arises from the inconsistency between the sampled returns within individual trajectories and the expected returns across multiple trajectories. Fortunately, value-based methods offer a solution by leveraging a value function to approximate the expected returns, thereby addressing the inconsistency effectively. Building upon these insights, we propose a novel approach, termed the Critic-Guided Decision Transformer (CGDT), which combines the predictability of long-term returns from value-based methods with the trajectory modeling capability of the Decision Transformer. By incorporating a learned value function, known as the critic, CGDT ensures a direct alignment between the specified target returns and the expected returns of actions. This integration bridges the gap between the deterministic nature of RCSL and the probabilistic characteristics of value-based methods. Empirical evaluations on stochastic environments and D4RL benchmark datasets demonstrate the superiority of CGDT over traditional RCSL methods. These results highlight the potential of CGDT to advance the state of the art in offline RL and extend the applicability of RCSL to a wide range of RL tasks.
Authors: Qing Zhang, Cheng Liu, Bo Liu, Haitong Huang, Ying Wang, Huawei Li, Xiaowei Li
Fault-tolerant deep learning accelerator is the basis for highly reliable deep learning processing and critical to deploy deep learning in safety-critical applications such as avionics and robotics. Since deep learning is known to be computing- and memory-intensive, traditional fault-tolerant approaches based on redundant computing will incur substantial overhead including power consumption and chip area. To this end, we propose to characterize deep learning vulnerability difference across both neurons and bits of each neuron, and leverage the vulnerability difference to enable selective protection of the deep learning processing components from the perspective of architecture layer and circuit layer respectively. At the same time, we observe the correlation between model quantization and bit protection overhead of the underlying processing elements of deep learning accelerators, and propose to reduce the bit protection overhead by adding additional quantization constrain without compromising the model accuracy. Finally, we employ Bayesian optimization strategy to co-optimize the correlated cross-layer design parameters at algorithm layer, architecture layer, and circuit layer to minimize the hardware resource consumption while fulfilling multiple user constraints including reliability, accuracy, and performance of the deep learning processing at the same time.
Authors: Huan Ling, Seung Wook Kim, Antonio Torralba, Sanja Fidler, Karsten Kreis
Text-guided diffusion models have revolutionized image and video generation and have also been successfully used for optimization-based 3D object synthesis. Here, we instead focus on the underexplored text-to-4D setting and synthesize dynamic, animated 3D objects using score distillation methods with an additional temporal dimension. Compared to previous work, we pursue a novel compositional generation-based approach, and combine text-to-image, text-to-video, and 3D-aware multiview diffusion models to provide feedback during 4D object optimization, thereby simultaneously enforcing temporal consistency, high-quality visual appearance and realistic geometry. Our method, called Align Your Gaussians (AYG), leverages dynamic 3D Gaussian Splatting with deformation fields as 4D representation. Crucial to AYG is a novel method to regularize the distribution of the moving 3D Gaussians and thereby stabilize the optimization and induce motion. We also propose a motion amplification mechanism as well as a new autoregressive synthesis scheme to generate and combine multiple 4D sequences for longer generation. These techniques allow us to synthesize vivid dynamic scenes, outperform previous work qualitatively and quantitatively and achieve state-of-the-art text-to-4D performance. Due to the Gaussian 4D representation, different 4D animations can be seamlessly combined, as we demonstrate. AYG opens up promising avenues for animation, simulation and digital content creation as well as synthetic data generation.
Authors: Junfei Xiao, Ziqi Zhou, Wenxuan Li, Shiyi Lan, Jieru Mei, Zhiding Yu, Alan Yuille, Yuyin Zhou, Cihang Xie
This paper introduces ProLab, a novel approach using property-level label space for creating strong interpretable segmentation models. Instead of relying solely on category-specific annotations, ProLab uses descriptive properties grounded in common sense knowledge for supervising segmentation models. It is based on two core designs. First, we employ Large Language Models (LLMs) and carefully crafted prompts to generate descriptions of all involved categories that carry meaningful common sense knowledge and follow a structured format. Second, we introduce a description embedding model preserving semantic correlation across descriptions and then cluster them into a set of descriptive properties (e.g., 256) using K-Means. These properties are based on interpretable common sense knowledge consistent with theories of human recognition. We empirically show that our approach makes segmentation models perform stronger on five classic benchmarks (e.g., ADE20K, COCO-Stuff, Pascal Context, Cityscapes, and BDD). Our method also shows better scalability with extended training steps than category-level supervision. Our interpretable segmentation framework also emerges with the generalization ability to segment out-of-domain or unknown categories using only in-domain descriptive properties. Code is available at https://github.com/lambert-x/ProLab.
Authors: Chengzu Li, Han Zhou, Goran Glavaš, Anna Korhonen, Ivan Vulić
Following the standard supervised fine-tuning (SFT) paradigm, in-context learning (ICL) has become an efficient approach propelled by the recent advancements in large language models (LLMs), yielding promising performance across various tasks in few-shot data setups. However, both paradigms are prone to suffer from the critical problem of overconfidence (i.e., miscalibration), especially in such limited data setups. In this work, we deliver an in-depth analysis of the behavior across different choices of learning methods from the perspective of both performance and calibration, as well as their interplay. Through extensive controlled experiments, we find that simultaneous gains for both task performance and calibration are difficult to achieve, and the problem of miscalibration exists across all learning methods in low-resource scenarios.To address this challenging trade-off between performance and calibration, we then investigate the potential of self-ensembling techniques applied at different modeling stages (e.g., variations of in-context examples or variations in prompts or different ensembling strategies). We justify the feasibility of self-ensembling on SFT in addition to ICL, to make the predictions more calibrated and have comparable or even better performance. Our work sheds light on which learning paradigm to choose and how to enhance both task performance and calibration of LLMs.
Authors: Soopil Kim, Sion An, Philip Chikontwe, Myeongkyun Kang, Ehsan Adeli, Kilian M. Pohl, Sanghyun Park
Logical anomalies (LA) refer to data violating underlying logical constraints e.g., the quantity, arrangement, or composition of components within an image. Detecting accurately such anomalies requires models to reason about various component types through segmentation. However, curation of pixel-level annotations for semantic segmentation is both time-consuming and expensive. Although there are some prior few-shot or unsupervised co-part segmentation algorithms, they often fail on images with industrial object. These images have components with similar textures and shapes, and a precise differentiation proves challenging. In this study, we introduce a novel component segmentation model for LA detection that leverages a few labeled samples and unlabeled images sharing logical constraints. To ensure consistent segmentation across unlabeled images, we employ a histogram matching loss in conjunction with an entropy loss. As segmentation predictions play a crucial role, we propose to enhance both local and global sample validity detection by capturing key aspects from visual semantics via three memory banks: class histograms, component composition embeddings and patch-level representations. For effective LA detection, we propose an adaptive scaling strategy to standardize anomaly scores from different memory banks in inference. Extensive experiments on the public benchmark MVTec LOCO AD reveal our method achieves 98.1% AUROC in LA detection vs. 89.6% from competing methods.
Authors: Ran Greidi, Kobi Cohen
Federated Learning (FL) has attracted much interest due to the significant advantages it brings to training deep neural network (DNN) models. However, since communications and computation resources are limited, training DNN models in FL systems face challenges such as elevated computational and communication costs in complex tasks. Sparse training schemes gain increasing attention in order to scale down the dimensionality of each client (i.e., node) transmission. Specifically, sparsification with error correction methods is a promising technique, where only important updates are sent to the parameter server (PS) and the rest are accumulated locally. While error correction methods have shown to achieve a significant sparsification level of the client-to-PS message without harming convergence, pushing sparsity further remains unresolved due to the staleness effect. In this paper, we propose a novel algorithm, dubbed Federated Learning with Accumulated Regularized Embeddings (FLARE), to overcome this challenge. FLARE presents a novel sparse training approach via accumulated pulling of the updated models with regularization on the embeddings in the FL process, providing a powerful solution to the staleness effect, and pushing sparsity to an exceptional level. The performance of FLARE is validated through extensive experiments on diverse and complex models, achieving a remarkable sparsity level (10 times and more beyond the current state-of-the-art) along with significantly improved accuracy. Additionally, an open-source software package has been developed for the benefit of researchers and developers in related fields.
Authors: Antonio Álvarez-López, Rafael Orive-Illera, Enrique Zuazua
Classification of $N$ points becomes a simultaneous control problem when viewed through the lens of neural ordinary differential equations (neural ODEs), which represent the time-continuous limit of residual networks. For the narrow model, with one neuron per hidden layer, it has been shown that the task can be achieved using $O(N)$ neurons. In this study, we focus on estimating the number of neurons required for efficient cluster-based classification, particularly in the worst-case scenario where points are independently and uniformly distributed in $[0,1]^d$. Our analysis provides a novel method for quantifying the probability of requiring fewer than $O(N)$ neurons, emphasizing the asymptotic behavior as both $d$ and $N$ increase. Additionally, under the sole assumption that the data are in general position, we propose a new constructive algorithm that simultaneously classifies clusters of $d$ points from any initial configuration, effectively reducing the maximal complexity to $O(N/d)$ neurons.
Authors: Thomas Norrenbrock, Marco Rudolph, Bodo Rosenhahn
Explanations in Computer Vision are often desired, but most Deep Neural Networks can only provide saliency maps with questionable faithfulness. Self-Explaining Neural Networks (SENN) extract interpretable concepts with fidelity, diversity, and grounding to combine them linearly for decision-making. While they can explain what was recognized, initial realizations lack accuracy and general applicability. We propose the Quantized-Self-Explaining Neural Network Q-SENN. Q-SENN satisfies or exceeds the desiderata of SENN while being applicable to more complex datasets and maintaining most or all of the accuracy of an uninterpretable baseline model, out-performing previous work in all considered metrics. Q-SENN describes the relationship between every class and feature as either positive, negative or neutral instead of an arbitrary number of possible relations, enforcing more binary human-friendly features. Since every class is assigned just 5 interpretable features on average, Q-SENN shows convincing local and global interpretability. Additionally, we propose a feature alignment method, capable of aligning learned features with human language-based concepts without additional supervision. Thus, what is learned can be more easily verbalized. The code is published: https://github.com/ThomasNorr/Q-SENN
Authors: Tom F. Sterkenburg
This paper considers the epistemic justification for a simplicity preference in inductive inference that may be obtained from the machine learning framework of statistical learning theory. Uniting elements from both earlier arguments suggesting and rejecting such a justification, the paper spells out a qualified means-ends and model-relative justificatory argument, built on statistical learning theory's central mathematical learning guarantee for the method of empirical risk minimization.
Authors: Kaouther Massoud, Kathrin Grosse, Mickael Chen, Matthieu Cord, Patrick Pérez, Alexandre Alahi
Autonomous vehicles ought to predict the surrounding agents' trajectories to allow safe maneuvers in uncertain and complex traffic situations. As companies increasingly apply trajectory prediction in the real world, security becomes a relevant concern. In this paper, we focus on backdoors - a security threat acknowledged in other fields but so far overlooked for trajectory prediction. To this end, we describe and investigate four triggers that could affect trajectory prediction. We then show that these triggers (for example, a braking vehicle), when correlated with a desired output (for example, a curve) during training, cause the desired output of a state-of-the-art trajectory prediction model. In other words, the model has good benign performance but is vulnerable to backdoors. This is the case even if the trigger maneuver is performed by a non-casual agent behind the target vehicle. As a side-effect, our analysis reveals interesting limitations within trajectory prediction models. Finally, we evaluate a range of defenses against backdoors. While some, like simple offroad checks, do not enable detection for all triggers, clustering is a promising candidate to support manual inspection to find backdoors.
Authors: Arthur France-Lanord, Hadrien Vroylandt, Mathieu Salanne, Benjamin Rotenberg, A. Marco Saitta, Fabio Pietrucci
Identifying optimal collective variables to model transformations, using atomic-scale simulations, is a long-standing challenge. We propose a new method for the generation, optimization, and comparison of collective variables, which can be thought of as a data-driven generalization of the path collective variable concept. It consists in a kernel ridge regression of the committor probability, which encodes a transformation's progress. The resulting collective variable is one-dimensional, interpretable, and differentiable, making it appropriate for enhanced sampling simulations requiring biasing. We demonstrate the validity of the method on two different applications: a precipitation model, and the association of Li$^+$ and F$^-$ in water. For the former, we show that global descriptors such as the permutation invariant vector allow to reach an accuracy far from the one achieved \textit{via} simpler, more intuitive variables. For the latter, we show that information correlated with the transformation mechanism is contained in the first solvation shell only, and that inertial effects prevent the derivation of optimal collective variables from the atomic positions only.
Authors: Shengyu Cao, Simai He, Ruoqing Jiang, Jin Xu, Hongsong Yuan
Recently multi-armed bandit problem arises in many real-life scenarios where arms must be sampled in batches, due to limited time the agent can wait for the feedback. Such applications include biological experimentation and online marketing. The problem is further complicated when the number of arms is large and the number of batches is small. We consider pure exploration in a batched multi-armed bandit problem. We introduce a general linear programming framework that can incorporate objectives of different theoretical settings in best arm identification. The linear program leads to a two-stage algorithm that can achieve good theoretical properties. We demonstrate by numerical studies that the algorithm also has good performance compared to certain UCB-type or Thompson sampling methods.
Authors: Issam Laradji, Perouz Taslakian, Sai Rajeswar, Valentina Zantedeschi, Alexandre Lacoste, Nicolas Chapados, David Vazquez, Christopher Pal, Alexandre Drouin
The extraction of a small number of relevant insights from vast amounts of data is a crucial component of data-driven decision-making. However, accomplishing this task requires considerable technical skills, domain expertise, and human labor. This study explores the potential of using Large Language Models (LLMs) to automate the discovery of insights in data, leveraging recent advances in reasoning and code generation techniques. We propose a new evaluation methodology based on a "capture the flag" principle, measuring the ability of such models to recognize meaningful and pertinent information (flags) in a dataset. We further propose two proof-of-concept agents, with different inner workings, and compare their ability to capture such flags in a real-world sales dataset. While the work reported here is preliminary, our results are sufficiently interesting to mandate future exploration by the community.
Authors: Hugo Thimonier, Fabrice Popineau, Arpad Rimmel, Bich-Liên Doan, Fabrice Daniel
This study explores the application of anomaly detection (AD) methods in imbalanced learning tasks, focusing on fraud detection using real online credit card payment data. We assess the performance of several recent AD methods and compare their effectiveness against standard supervised learning methods. Offering evidence of distribution shift within our dataset, we analyze its impact on the tested models' performances. Our findings reveal that LightGBM exhibits significantly superior performance across all evaluated metrics but suffers more from distribution shifts than AD methods. Furthermore, our investigation reveals that LightGBM also captures the majority of frauds detected by AD methods. This observation challenges the potential benefits of ensemble methods to combine supervised, and AD approaches to enhance performance. In summary, this research provides practical insights into the utility of these techniques in real-world scenarios, showing LightGBM's superiority in fraud detection while highlighting challenges related to distribution shifts.
Authors: Benjamin Alt, Urs Keßner, Aleksandar Taranovic, Darko Katic, Andreas Hermann, Rainer Jäkel, Gerhard Neumann
Industrial robots are applied in a widening range of industries, but robot programming mostly remains a task limited to programming experts. We propose a natural language-based assistant for programming of advanced, industrial robotic applications and investigate strategies for domain-specific fine-tuning of foundation models with limited data and compute.
Authors: Benjamin Alt, Minh Dang Nguyen, Andreas Hermann, Darko Katic, Rainer Jäkel, Rüdiger Dillmann, Eric Sax
The use of autonomous robots for assistance tasks in hospitals has the potential to free up qualified staff and im-prove patient care. However, the ubiquity of deformable and transparent objects in hospital settings poses signif-icant challenges to vision-based perception systems. We present EfficientPPS, a neural architecture for part-aware panoptic segmentation that provides robots with semantically rich visual information for grasping and ma-nipulation tasks. We also present an unsupervised data collection and labelling method to reduce the need for human involvement in the training process. EfficientPPS is evaluated on a dataset containing real-world hospital objects and demonstrated to be robust and efficient in grasping transparent transfusion bags with a collaborative robot arm.
Authors: Ruoqi Wen, Jiahao Huang, Rongpeng Li, Guoru Ding, Zhifeng Zhao
Autonomous Vehicles (AVs) have attracted significant attention in recent years and Reinforcement Learning (RL) has shown remarkable performance in improving the autonomy of vehicles. In that regard, the widely adopted Model-Free RL (MFRL) promises to solve decision-making tasks in connected AVs (CAVs), contingent on the readiness of a significant amount of data samples for training. Nevertheless, it might be infeasible in practice and possibly lead to learning instability. In contrast, Model-Based RL (MBRL) manifests itself in sample-efficient learning, but the asymptotic performance of MBRL might lag behind the state-of-the-art MFRL algorithms. Furthermore, most studies for CAVs are limited to the decision-making of a single AV only, thus underscoring the performance due to the absence of communications. In this study, we try to address the decision-making problem of multiple CAVs with limited communications and propose a decentralized Multi-Agent Probabilistic Ensembles with Trajectory Sampling algorithm MA-PETS. In particular, in order to better capture the uncertainty of the unknown environment, MA-PETS leverages Probabilistic Ensemble (PE) neural networks to learn from communicated samples among neighboring CAVs. Afterwards, MA-PETS capably develops Trajectory Sampling (TS)-based model-predictive control for decision-making. On this basis, we derive the multi-agent group regret bound affected by the number of agents within the communication range and mathematically validate that incorporating effective information exchange among agents into the multi-agent learning scheme contributes to reducing the group regret bound in the worst case. Finally, we empirically demonstrate the superiority of MA-PETS in terms of the sample efficiency comparable to MFBL.
Authors: Zhongyi Cai, Ye Shi, Wei Huang, Jingya Wang
Federated Learning (FL) has emerged as a promising distributed learning paradigm that enables multiple clients to learn a global model collaboratively without sharing their private data. However, the effectiveness of FL is highly dependent on the quality of the data that is being used for training. In particular, data heterogeneity issues, such as label distribution skew and feature skew, can significantly impact the performance of FL. Previous studies in FL have primarily focused on addressing label distribution skew data heterogeneity, while only a few recent works have made initial progress in tackling feature skew issues. Notably, these two forms of data heterogeneity have been studied separately and have not been well explored within a unified FL framework. To address this gap, we propose Fed-CO$_{2}$, a universal FL framework that handles both label distribution skew and feature skew within a \textbf{C}ooperation mechanism between the \textbf{O}nline and \textbf{O}ffline models. Specifically, the online model learns general knowledge that is shared among all clients, while the offline model is trained locally to learn the specialized knowledge of each individual client. To further enhance model cooperation in the presence of feature shifts, we design an intra-client knowledge transfer mechanism that reinforces mutual learning between the online and offline models, and an inter-client knowledge transfer mechanism to increase the models' domain generalization ability. Extensive experiments show that our Fed-CO$_{2}$ outperforms a wide range of existing personalized federated learning algorithms in terms of handling label distribution skew and feature skew, both individually and collectively. The empirical results are supported by our convergence analyses in a simplified setting.
Authors: Daniel Haimovich, Dima Karamshuk, Fridolin Linder, Niek Tax, Milan Vojnovic
We study convergence rates of loss and uncertainty-based active learning algorithms under various assumptions. First, we provide a set of conditions under which a convergence rate guarantee holds, and use this for linear classifiers and linearly separable datasets to show convergence rate guarantees for loss-based sampling and different loss functions. Second, we provide a framework that allows us to derive convergence rate bounds for loss-based sampling by deploying known convergence rate bounds for stochastic gradient descent algorithms. Third, and last, we propose an active learning algorithm that combines sampling of points and stochastic Polyak's step size. We show a condition on the sampling that ensures a convergence rate guarantee for this algorithm for smooth convex loss functions. Our numerical results demonstrate efficiency of our proposed algorithm.
Authors: Yalin E. Sagduyu, Tugba Erpek, Aylin Yener, Sennur Ulukus
This paper introduces a deep learning approach to dynamic spectrum access, leveraging the synergy of multi-modal image and spectrum data for the identification of potential transmitters. We consider an edge device equipped with a camera that is taking images of potential objects such as vehicles that may harbor transmitters. Recognizing the computational constraints and trust issues associated with on-device computation, we propose a collaborative system wherein the edge device communicates selectively processed information to a trusted receiver acting as a fusion center, where a decision is made to identify whether a potential transmitter is present, or not. To achieve this, we employ task-oriented communications, utilizing an encoder at the transmitter for joint source coding, channel coding, and modulation. This architecture efficiently transmits essential information of reduced dimension for object classification. Simultaneously, the transmitted signals may reflect off objects and return to the transmitter, allowing for the collection of target sensing data. Then the collected sensing data undergoes a second round of encoding at the transmitter, with the reduced-dimensional information communicated back to the fusion center through task-oriented communications. On the receiver side, a decoder performs the task of identifying a transmitter by fusing data received through joint sensing and task-oriented communications. The two encoders at the transmitter and the decoder at the receiver are jointly trained, enabling a seamless integration of image classification and wireless signal detection. Using AWGN and Rayleigh channel models, we demonstrate the effectiveness of the proposed approach, showcasing high accuracy in transmitter identification across diverse channel conditions while sustaining low latency in decision making.
Authors: Dou Hu, Lingwei Wei, Yaxin Liu, Wei Zhou, Songlin Hu
This paper presents a new supervised representation learning framework, namely Structured Probabilistic Coding (SPC), to learn compact and informative representations from input related to the target task. SPC is an encoder-only probabilistic coding technology with a structured regularization from the target label space. By extracting compact and informative representations from input related to the target task, SPC can enhance the generalization ability of pre-trained language models for better language understanding. Specifically, the hidden representation is encoded into a Gaussian distribution space, while maximizing the prior entropy of latent representations concerning label space. This technique can simultaneously perform information encoding and task prediction in one module to more fully utilize the effective information from input data, and use variational inference in the output space to reduce randomness and uncertainty. To better control the probability distribution in the latent space, a structured regularization is proposed to promote class-level uniformity in the latent space. With the regularization term, SPC can preserve the Gaussian distribution structure of latent code as well as better cover the hidden space with class uniformly. We conduct evaluations on 12 natural language understanding tasks. The results show that our SPC can effectively improve the performance of pre-trained language models for various classification and regression tasks. Experiments demonstrate that SPC can enhance the generalization capability, robustness to label noise, and clustering quality of output representations.
Authors: Tomasz Danel, Jan Łęski, Sabina Podlewska, Igor T. Podolak
Despite the great popularity of virtual screening of existing compound libraries, the search for new potential drug candidates also takes advantage of generative protocols, where new compound suggestions are enumerated using various algorithms. To increase the activity potency of generative approaches, they have recently been coupled with molecular docking, a leading methodology of structure-based drug design. In this review, we summarize progress since docking-based generative models emerged. We propose a new taxonomy for these methods and discuss their importance for the field of computer-aided drug design. In addition, we discuss the most promising directions for further development of generative protocols coupled with docking.
Authors: Minwoo Shin, Minjee Seo, Seonaeng Cho, Juil Park, Joon Ho Kwon, Deukhee Lee, Kyungho Yoon
Radiofrequency ablation (RFA) is a widely used minimally invasive technique for ablating solid tumors. Achieving precise personalized treatment necessitates feedback information on in situ thermal effects induced by the RFA procedure. While computer simulation facilitates the prediction of electrical and thermal phenomena associated with RFA, its practical implementation in clinical settings is hindered by high computational demands. In this paper, we propose a physics-guided neural network model, named PhysRFANet, to enable real-time prediction of thermal effect during RFA treatment. The networks, designed for predicting temperature distribution and the corresponding ablation lesion, were trained using biophysical computational models that integrated electrostatics, bio-heat transfer, and cell necrosis, alongside magnetic resonance (MR) images of breast cancer patients. Validation of the computational model was performed through experiments on ex vivo bovine liver tissue. Our model demonstrated a 96% Dice score in predicting the lesion volume and an RMSE of 0.4854 for temperature distribution when tested with foreseen tumor images. Notably, even with unforeseen images, it achieved a 93% Dice score for the ablation lesion and an RMSE of 0.6783 for temperature distribution. All networks were capable of inferring results within 10 ms. The presented technique, applied to optimize the placement of the electrode for a specific target region, holds significant promise in enhancing the safety and efficacy of RFA treatments.
Authors: Anh Duc Nguyen, Tuan Dung Nguyen, Quang Minh Nguyen, Hoang H. Nguyen, Kim-Chuan Toh
This paper studies the Partial Optimal Transport (POT) problem between two unbalanced measures with at most $n$ supports and its applications in various AI tasks such as color transfer or domain adaptation. There is hence the need for fast approximations of POT with increasingly large problem sizes in arising applications. We first theoretically and experimentally investigate the infeasibility of the state-of-the-art Sinkhorn algorithm for POT due to its incompatible rounding procedure, which consequently degrades its qualitative performance in real world applications like point-cloud registration. To this end, we propose a novel rounding algorithm for POT, and then provide a feasible Sinkhorn procedure with a revised computation complexity of $\mathcal{\widetilde O}(n^2/\varepsilon^4)$. Our rounding algorithm also permits the development of two first-order methods to approximate the POT problem. The first algorithm, Adaptive Primal-Dual Accelerated Gradient Descent (APDAGD), finds an $\varepsilon$-approximate solution to the POT problem in $\mathcal{\widetilde O}(n^{2.5}/\varepsilon)$, which is better in $\varepsilon$ than revised Sinkhorn. The second method, Dual Extrapolation, achieves the computation complexity of $\mathcal{\widetilde O}(n^2/\varepsilon)$, thereby being the best in the literature. We further demonstrate the flexibility of POT compared to standard OT as well as the practicality of our algorithms on real applications where two marginal distributions are unbalanced.
Authors: Maryam Aliakbarpour, Konstantina Bairaktari, Gavin Brown, Adam Smith, Jonathan Ullman
Metalearning and multitask learning are two frameworks for solving a group of related learning tasks more efficiently than we could hope to solve each of the individual tasks on their own. In multitask learning, we are given a fixed set of related learning tasks and need to output one accurate model per task, whereas in metalearning we are given tasks that are drawn i.i.d. from a metadistribution and need to output some common information that can be easily specialized to new, previously unseen tasks from the metadistribution.
In this work, we consider a binary classification setting where tasks are related by a shared representation, that is, every task $P$ of interest can be solved by a classifier of the form $f_{P} \circ h$ where $h \in H$ is a map from features to some representation space that is shared across tasks, and $f_{P} \in F$ is a task-specific classifier from the representation space to labels. The main question we ask in this work is how much data do we need to metalearn a good representation? Here, the amount of data is measured in terms of both the number of tasks $t$ that we need to see and the number of samples $n$ per task. We focus on the regime where the number of samples per task is extremely small. Our main result shows that, in a distribution-free setting where the feature vectors are in $\mathbb{R}^d$, the representation is a linear map from $\mathbb{R}^d \to \mathbb{R}^k$, and the task-specific classifiers are halfspaces in $\mathbb{R}^k$, we can metalearn a representation with error $\varepsilon$ using just $n = k+2$ samples per task, and $d \cdot (1/\varepsilon)^{O(k)}$ tasks. Learning with so few samples per task is remarkable because metalearning would be impossible with $k+1$ samples per task, and because we cannot even hope to learn an accurate task-specific classifier with just $k+2$ samples per task.
Authors: Clément Pierquin, Aurélien Bellet, Marc Tommasi, Matthieu Boussard
Pufferfish privacy is a flexible generalization of differential privacy that allows to model arbitrary secrets and adversary's prior knowledge about the data. Unfortunately, designing general and tractable Pufferfish mechanisms that do not compromise utility is challenging. Furthermore, this framework does not provide the composition guarantees needed for a direct use in iterative machine learning algorithms. To mitigate these issues, we introduce a R\'enyi divergence-based variant of Pufferfish and show that it allows us to extend the applicability of the Pufferfish framework. We first generalize the Wasserstein mechanism to cover a wide range of noise distributions and introduce several ways to improve its utility. We also derive stronger guarantees against out-of-distribution adversaries. Finally, as an alternative to composition, we prove privacy amplification results for contractive noisy iterations and showcase the first use of Pufferfish in private convex optimization. A common ingredient underlying our results is the use and extension of shift reduction lemmas.
Authors: Wenbin Hu, Fernando Acero, Eleftherios Triantafyllidis, Zhaocheng Liu, Zhibin Li
We present a modular framework designed to enable a robot hand-arm system to learn how to catch flying objects, a task that requires fast, reactive, and accurately-timed robot motions. Our framework consists of five core modules: (i) an object state estimator that learns object trajectory prediction, (ii) a catching pose quality network that learns to score and rank object poses for catching, (iii) a reaching control policy trained to move the robot hand to pre-catch poses, (iv) a grasping control policy trained to perform soft catching motions for safe and robust grasping, and (v) a gating network trained to synthesize the actions given by the reaching and grasping policy. The former two modules are trained via supervised learning and the latter three use deep reinforcement learning in a simulated environment. We conduct extensive evaluations of our framework in simulation for each module and the integrated system, to demonstrate high success rates of in-flight catching and robustness to perturbations and sensory noise. Whilst only simple cylindrical and spherical objects are used for training, the integrated system shows successful generalization to a variety of household objects that are not used in training.
Authors: Hany Abdulsamad, Sahel Iqbal, Adrien Corenflos, Simo Särkkä
Stochastic optimal control of dynamical systems is a crucial challenge in sequential decision-making. Recently, control-as-inference approaches have had considerable success, providing a viable risk-sensitive framework to address the exploration-exploitation dilemma. Nonetheless, a majority of these techniques only invoke the inference-control duality to derive a modified risk objective that is then addressed within a reinforcement learning framework. This paper introduces a novel perspective by framing risk-sensitive stochastic control as Markovian score climbing under samples drawn from a conditional particle filter. Our approach, while purely inference-centric, provides asymptotically unbiased estimates for gradient-based policy optimization with optimal importance weighting and no explicit value function learning. To validate our methodology, we apply it to the task of learning neural non-Gaussian feedback policies, showcasing its efficacy on numerical benchmarks of stochastic dynamical systems.
Authors: Md Gulzar Hussain, Mahmuda Rahman, Babe Sultana, Ye Shiren
In the field of audio and speech analysis, the ability to identify emotions from acoustic signals is essential. Human-computer interaction (HCI) and behavioural analysis are only a few of the many areas where the capacity to distinguish emotions from speech signals has an extensive range of applications. Here, we are introducing BanSpEmo, a corpus of emotional speech that only consists of audio recordings and has been created specifically for the Bangla language. This corpus contains 792 audio recordings over a duration of more than 1 hour and 23 minutes. 22 native speakers took part in the recording of two sets of sentences that represent the six desired emotions. The data set consists of 12 Bangla sentences which are uttered in 6 emotions as Disgust, Happy, Sad, Surprised, Anger, and Fear. This corpus is not also gender balanced. Ten individuals who either have experience in related field or have acting experience took part in the assessment of this corpus. It has a balanced number of audio recordings in each emotion class. BanSpEmo can be considered as a useful resource to promote emotion and speech recognition research and related applications in the Bangla language. The dataset can be found here: https://data.mendeley.com/datasets/rdwn4bs5ky and might be employed for academic research.
Authors: Davide Berghi, Philip J. B. Jackson
Conventional audio-visual approaches for active speaker detection (ASD) typically rely on visually pre-extracted face tracks and the corresponding single-channel audio to find the speaker in a video. Therefore, they tend to fail every time the face of the speaker is not visible. We demonstrate that a simple audio convolutional recurrent neural network (CRNN) trained with spatial input features extracted from multichannel audio can perform simultaneous horizontal active speaker detection and localization (ASDL), independently of the visual modality. To address the time and cost of generating ground truth labels to train such a system, we propose a new self-supervised training pipeline that embraces a ``student-teacher'' learning approach. A conventional pre-trained active speaker detector is adopted as a ``teacher'' network to provide the position of the speakers as pseudo-labels. The multichannel audio ``student'' network is trained to generate the same results. At inference, the student network can generalize and locate also the occluded speakers that the teacher network is not able to detect visually, yielding considerable improvements in recall rate. Experiments on the TragicTalkers dataset show that an audio network trained with the proposed self-supervised learning approach can exceed the performance of the typical audio-visual methods and produce results competitive with the costly conventional supervised training. We demonstrate that improvements can be achieved when minimal manual supervision is introduced in the learning pipeline. Further gains may be sought with larger training sets and integrating vision with the multichannel audio system.
Authors: Sebastian Bieringer, Gregor Kasieczka, Maximilian F. Steffen, Mathias Trabs
Uncertainty estimation is a key issue when considering the application of deep neural network methods in science and engineering. In this work, we introduce a novel algorithm that quantifies epistemic uncertainty via Monte Carlo sampling from a tempered posterior distribution. It combines the well established Metropolis Adjusted Langevin Algorithm (MALA) with momentum-based optimization using Adam and leverages a prolate proposal distribution, to efficiently draw from the posterior. We prove that the constructed chain admits the Gibbs posterior as an invariant distribution and converges to this Gibbs posterior in total variation distance. Numerical evaluations are postponed to a first revision.
Authors: Yikun Ban, Yunzhe Qi, Jingrui He
In the dynamic landscape of online businesses, recommender systems are pivotal in enhancing user experiences. While traditional approaches have relied on static supervised learning, the quest for adaptive, user-centric recommendations has led to the emergence of the formulation of contextual bandits. This tutorial investigates the contextual bandits as a powerful framework for personalized recommendations. We delve into the challenges, advanced algorithms and theories, collaborative strategies, and open challenges and future prospects within this field. Different from existing related tutorials, (1) we focus on the exploration perspective of contextual bandits to alleviate the ``Matthew Effect'' in the recommender systems, i.e., the rich get richer and the poor get poorer, concerning the popularity of items; (2) in addition to the conventional linear contextual bandits, we will also dedicated to neural contextual bandits which have emerged as an important branch in recent years, to investigate how neural networks benefit contextual bandits for personalized recommendation both empirically and theoretically; (3) we will cover the latest topic, collaborative neural contextual bandits, to incorporate both user heterogeneity and user correlations customized for recommender system; (4) we will provide and discuss the new emerging challenges and open questions for neural contextual bandits with applications in the personalized recommendation, especially for large neural models.
Authors: Axel Klawonn, Martin Lanser, Janine Weber
Hybrid algorithms, which combine black-box machine learning methods with experience from traditional numerical methods and domain expertise from diverse application areas, are progressively gaining importance in scientific machine learning and various industrial domains, especially in computational science and engineering. In the present survey, several promising avenues of research will be examined which focus on the combination of machine learning (ML) and domain decomposition methods (DDMs). The aim of this survey is to provide an overview of existing work within this field and to structure it into domain decomposition for machine learning and machine learning-enhanced domain decomposition, including: domain decomposition for classical machine learning, domain decomposition to accelerate the training of physics-aware neural networks, machine learning to enhance the convergence properties or computational efficiency of DDMs, and machine learning as a discretization method in a DDM for the solution of PDEs. In each of these fields, we summarize existing work and key advances within a common framework and, finally, disuss ongoing challenges and opportunities for future research.
Authors: Anthony Nouy, Bertrand Michel
We consider the problem of approximating a function from $L^2$ by an element of a given $m$-dimensional space $V_m$, associated with some feature map $\varphi$, using evaluations of the function at random points $x_1,\dots,x_n$. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features $\varphi(x_i)$. We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples $n = O(m\log(m))$, that means that the expected $L^2$ error is bounded by a constant times the best approximation error in $L^2$. Also, further assuming that the function is in some normed vector space $H$ continuously embedded in $L^2$, we further prove that the approximation is almost surely bounded by the best approximation error measured in the $H$-norm. This includes the cases of functions from $L^\infty$ or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.
Authors: Xiaowei Qian, Bingheng Li, Zhao Kang
Multi-relational clustering is a challenging task due to the fact that diverse semantic information conveyed in multi-layer graphs is difficult to extract and fuse. Recent methods integrate topology structure and node attribute information through graph filtering. However, they often use a low-pass filter without fully considering the correlation among multiple graphs. To overcome this drawback, we propose to learn a graph filter motivated by the theoretical analysis of Barlow Twins. We find that input with a negative semi-definite inner product provides a lower bound for Barlow Twins loss, which prevents it from reaching a better solution. We thus learn a filter that yields an upper bound for Barlow Twins. Afterward, we design a simple clustering architecture and demonstrate its state-of-the-art performance on four benchmark datasets.
Authors: Luca Ratti
Learning-based and data-driven techniques have recently become a subject of primary interest in the field of reconstruction and regularization of inverse problems. Besides the development of novel methods, yielding excellent results in several applications, their theoretical investigation has attracted growing interest, e.g., on the topics of reliability, stability, and interpretability. In this work, a general framework is described, allowing us to interpret many of these techniques in the context of statistical learning. This is not intended to provide a complete survey of existing methods, but rather to put them in a working perspective, which naturally allows their theoretical treatment. The main goal of this dissertation is thereby to address the generalization properties of learned reconstruction methods, and specifically to perform their sample error analysis. This task, well-developed in statistical learning, consists in estimating the dependence of the learned operators with respect to the data employed for their training. A rather general strategy is proposed, whose assumptions are met for a large class of inverse problems and learned methods, as depicted via a selection of examples.
Authors: Yu Xia, Ali Arian, Sriram Narayanamoorthy, Joshua Mabry
Significant research effort has been devoted in recent years to developing personalized pricing, promotions, and product recommendation algorithms that can leverage rich customer data to learn and earn. Systematic benchmarking and evaluation of these causal learning systems remains a critical challenge, due to the lack of suitable datasets and simulation environments. In this work, we propose a multi-stage model for simulating customer shopping behavior that captures important sources of heterogeneity, including price sensitivity and past experiences. We embedded this model into a working simulation environment -- RetailSynth. RetailSynth was carefully calibrated on publicly available grocery data to create realistic synthetic shopping transactions. Multiple pricing policies were implemented within the simulator and analyzed for impact on revenue, category penetration, and customer retention. Applied researchers can use RetailSynth to validate causal demand models for multi-category retail and to incorporate realistic price sensitivity into emerging benchmarking suites for personalized pricing, promotions, and product recommendations.
Authors: Andrea Wynn, Ilia Sucholutsky, Thomas L. Griffiths
How can we build AI systems that are aligned with human values and objectives in order to avoid causing harm or violating societal standards for acceptable behavior? Making AI systems learn human-like representations of the world has many known benefits, including improving generalization, robustness to domain shifts, and few-shot learning performance, among others. We propose that this kind of representational alignment between machine learning (ML) models and humans is also a necessary condition for value alignment, where ML systems conform to human values and societal norms. We focus on ethics as one aspect of value alignment and train multiple ML agents (support vector regression and kernel regression) in a multi-armed bandit setting, where rewards are sampled from a distribution that reflects the morality of the chosen action. We then study the relationship between each agent's degree of representational alignment with humans and their performance when learning to take the most ethical actions.
Authors: Dongjin Choi, Andy Xiang, Ozgur Ozturk, Deep Shrestha, Barry Drake, Hamid Haidarian, Faizan Javed, Haesun Park
In the rapidly evolving healthcare industry, platforms now have access to not only traditional medical records, but also diverse data sets encompassing various patient interactions, such as those from healthcare web portals. To address this rich diversity of data, we introduce WellFactor: a method that derives patient profiles by integrating information from these sources. Central to our approach is the utilization of constrained low-rank approximation. WellFactor is optimized to handle the sparsity that is often inherent in healthcare data. Moreover, by incorporating task-specific label information, our method refines the embedding results, offering a more informed perspective on patients. One important feature of WellFactor is its ability to compute embeddings for new, previously unobserved patient data instantaneously, eliminating the need to revisit the entire data set or recomputing the embedding. Comprehensive evaluations on real-world healthcare data demonstrate WellFactor's effectiveness. It produces better results compared to other existing methods in classification performance, yields meaningful clustering of patients, and delivers consistent results in patient similarity searches and predictions.
Authors: Tao Huang, Guangqi Jiang, Yanjie Ze, Huazhe Xu
Learning rewards from expert videos offers an affordable and effective solution to specify the intended behaviors for reinforcement learning tasks. In this work, we propose Diffusion Reward, a novel framework that learns rewards from expert videos via conditional video diffusion models for solving complex visual RL problems. Our key insight is that lower generative diversity is observed when conditioned on expert trajectories. Diffusion Reward is accordingly formalized by the negative of conditional entropy that encourages productive exploration of expert-like behaviors. We show the efficacy of our method over 10 robotic manipulation tasks from MetaWorld and Adroit with visual input and sparse reward. Moreover, Diffusion Reward could even solve unseen tasks successfully and effectively, largely surpassing baseline methods. Project page and code: https://diffusion-reward.github.io/.
Authors: Arturo Castellanos, Pavlo Mozharovskyi, Florence d'Alché-Buc, Hicham Janati
Data depth is a statistical function that generalizes order and quantiles to the multivariate setting and beyond, with applications spanning over descriptive and visual statistics, anomaly detection, testing, etc. The celebrated halfspace depth exploits data geometry via an optimization program to deliver properties of invariances, robustness, and non-parametricity. Nevertheless, it implicitly assumes convex data supports and requires exponential computational cost. To tackle distribution's multimodality, we extend the halfspace depth in a Reproducing Kernel Hilbert Space (RKHS). We show that the obtained depth is intuitive and establish its consistency with provable concentration bounds that allow for homogeneity testing. The proposed depth can be computed using manifold gradient making faster than halfspace depth by several orders of magnitude. The performance of our depth is demonstrated through numerical simulations as well as applications such as anomaly detection on real data and homogeneity testing.
Authors: João F. Doriguello, Debbie Lim, Chi Seng Pun, Patrick Rebentrost, Tushar Vaidya
We present a novel quantum high-dimensional linear regression algorithm with an $\ell_1$-penalty based on the classical LARS (Least Angle Regression) pathwise algorithm. Similarly to available classical numerical algorithms for Lasso, our quantum algorithm provides the full regularisation path as the penalty term varies, but quadratically faster per iteration under specific conditions. A quadratic speedup on the number of features/predictors $d$ is possible by using the simple quantum minimum-finding subroutine from D\"urr and Hoyer (arXiv'96) in order to obtain the joining time at each iteration. We then improve upon this simple quantum algorithm and obtain a quadratic speedup both in the number of features $d$ and the number of observations $n$ by using the recent approximate quantum minimum-finding subroutine from Chen and de Wolf (ICALP'23). As one of our main contributions, we construct a quantum unitary based on quantum amplitude estimation to approximately compute the joining times to be searched over by the approximate quantum minimum finding. Since the joining times are no longer exactly computed, it is no longer clear that the resulting approximate quantum algorithm obtains a good solution. As our second main contribution, we prove, via an approximate version of the KKT conditions and a duality gap, that the LARS algorithm (and therefore our quantum algorithm) is robust to errors. This means that it still outputs a path that minimises the Lasso cost function up to a small error if the joining times are only approximately computed. Finally, in the model where the observations are generated by an underlying linear model with an unknown coefficient vector, we prove bounds on the difference between the unknown coefficient vector and the approximate Lasso solution, which generalises known results about convergence rates in classical statistical learning theory analysis.
Authors: Farid Arthaud, Guillaume Lecoeur, Alban Pierre
Robust travel time predictions are of prime importance in managing any transportation infrastructure, and particularly in rail networks where they have major impacts both on traffic regulation and passenger satisfaction. We aim at predicting the travel time of trains on rail sections at the scale of an entire rail network in real-time, by estimating trains' delays relative to a theoretical circulation plan.
Predicting the evolution of a given train's delay is a uniquely hard problem, distinct from mainstream road traffic forecasting problems, since it involves several hard-to-model phenomena: train spacing, station congestion and heterogeneous rolling stock among others. We first offer empirical evidence of the previously unexplored phenomenon of delay propagation at the scale of a railway network, leading to delays being amplified by interactions between trains and the network's physical limitations.
We then contribute a novel technique using the transformer architecture and pre-trained embeddings to make real-time massively parallel predictions for train delays at the scale of the whole rail network (over 3000 trains at peak hours, making predictions at an average horizon of 70 minutes). Our approach yields very positive results on real-world data when compared to currently-used and experimental prediction techniques.
Authors: Antonin Schrab, Benjamin Guedj, Arthur Gretton
We investigate properties of goodness-of-fit tests based on the Kernel Stein Discrepancy (KSD). We introduce a strategy to construct a test, called KSDAgg, which aggregates multiple tests with different kernels. KSDAgg avoids splitting the data to perform kernel selection (which leads to a loss in test power), and rather maximises the test power over a collection of kernels. We provide non-asymptotic guarantees on the power of KSDAgg: we show it achieves the smallest uniform separation rate of the collection, up to a logarithmic term. For compactly supported densities with bounded model score function, we derive the rate for KSDAgg over restricted Sobolev balls; this rate corresponds to the minimax optimal rate over unrestricted Sobolev balls, up to an iterated logarithmic term. KSDAgg can be computed exactly in practice as it relies either on a parametric bootstrap or on a wild bootstrap to estimate the quantiles and the level corrections. In particular, for the crucial choice of bandwidth of a fixed kernel, it avoids resorting to arbitrary heuristics (such as median or standard deviation) or to data splitting. We find on both synthetic and real-world data that KSDAgg outperforms other state-of-the-art quadratic-time adaptive KSD-based goodness-of-fit testing procedures.
Authors: Anurag Sarkar, Seth Cooper
We present latent combinational game design -- an approach for generating playable games that blend a given set of games in a desired combination using deep generative latent variable models. We use Gaussian Mixture Variational Autoencoders (GMVAEs) which model the VAE latent space via a mixture of Gaussian components. Through supervised training, each component encodes levels from one game and lets us define blended games as linear combinations of these components. This enables generating new games that blend the input games as well as controlling the relative proportions of each game in the blend. We also extend prior blending work using conditional VAEs and compare against the GMVAE and additionally introduce a hybrid conditional GMVAE (CGMVAE) architecture which lets us generate whole blended levels and layouts. Results show that these approaches can generate playable games that blend the input games in specified combinations. We use both platformers and dungeon-based games to demonstrate our results.
Authors: Md. Iqbal Hossain, Mohammad Zunaed, Md. Kawsar Ahmed, S. M. Jawwad Hossain, Anwarul Hasan, Taufiq Hasan
Objective: Computer-aided disease diagnosis and prognosis based on medical images is a rapidly emerging field. Many Convolutional Neural Network (CNN) architectures have been developed by researchers for disease classification and localization from chest X-ray images. It is known that different thoracic disease lesions are more likely to occur in specific anatomical regions compared to others. This article aims to incorporate this disease and region-dependent prior probability distribution within a deep learning framework. Methods: We present the ThoraX-PriorNet, a novel attention-based CNN model for thoracic disease classification. We first estimate a disease-dependent spatial probability, i.e., an anatomical prior, that indicates the probability of occurrence of a disease in a specific region in a chest X-ray image. Next, we develop a novel attention-based classification model that combines information from the estimated anatomical prior and automatically extracted chest region of interest (ROI) masks to provide attention to the feature maps generated from a deep convolution network. Unlike previous works that utilize various self-attention mechanisms, the proposed method leverages the extracted chest ROI masks along with the probabilistic anatomical prior information, which selects the region of interest for different diseases to provide attention. Results: The proposed method shows superior performance in disease classification on the NIH ChestX-ray14 dataset compared to existing state-of-the-art methods while reaching an area under the ROC curve (%AUC) of 84.67. Regarding disease localization, the anatomy prior attention method shows competitive performance compared to state-of-the-art methods, achieving an accuracy of 0.80, 0.63, 0.49, 0.33, 0.28, 0.21, and 0.04 with an Intersection over Union (IoU) threshold of 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, and 0.7, respectively.
Authors: Zhaoyuan Yang, Zhiwei Xu, Jing Zhang, Richard Hartley, Peter Tu
In this work, we formulate a novel framework for adversarial robustness using the manifold hypothesis. This framework provides sufficient conditions for defending against adversarial examples. We develop an adversarial purification method with this framework. Our method combines manifold learning with variational inference to provide adversarial robustness without the need for expensive adversarial training. Experimentally, our approach can provide adversarial robustness even if attackers are aware of the existence of the defense. In addition, our method can also serve as a test-time defense mechanism for variational autoencoders.
Authors: Daniel J. W. Touw, Patrick J. F. Groenen, Yoshikazu Terada
Convex clustering is a modern method with both hierarchical and $k$-means clustering characteristics. Although convex clustering can capture complex clustering structures hidden in data, the existing convex clustering algorithms are not scalable to large data sets with sample sizes greater than several thousands. Moreover, it is known that convex clustering sometimes fails to produce a complete hierarchical clustering structure. This issue arises if clusters split up or the minimum number of possible clusters is larger than the desired number of clusters. In this paper, we propose convex clustering through majorization-minimization (CCMM) -- an iterative algorithm that uses cluster fusions and a highly efficient updating scheme derived using diagonal majorization. Additionally, we explore different strategies to ensure that the hierarchical clustering structure terminates in a single cluster. With a current desktop computer, CCMM efficiently solves convex clustering problems featuring over one million objects in seven-dimensional space, achieving a solution time of 51 seconds on average.
Authors: Yongduo Sui, Qitian Wu, Jiancan Wu, Qing Cui, Longfei Li, Jun Zhou, Xiang Wang, Xiangnan He
The issue of distribution shifts is emerging as a critical concern in graph representation learning. From the perspective of invariant learning and stable learning, a recently well-established paradigm for out-of-distribution generalization, stable features of the graph are assumed to causally determine labels, while environmental features tend to be unstable and can lead to the two primary types of distribution shifts. The correlation shift is often caused by the spurious correlation between environmental features and labels that differs between the training and test data; the covariate shift often stems from the presence of new environmental features in test data. However, most strategies, such as invariant learning or graph augmentation, typically struggle with limited training environments or perturbed stable features, thus exposing limitations in handling the problem of covariate shift. To address this challenge, we propose a simple-yet-effective data augmentation strategy, Adversarial Invariant Augmentation (AIA), to handle the covariate shift on graphs. Specifically, given the training data, AIA aims to extrapolate and generate new environments, while concurrently preserving the original stable features during the augmentation process. Such a design equips the graph classification model with an enhanced capability to identify stable features in new environments, thereby effectively tackling the covariate shift in data. Extensive experiments with in-depth empirical analysis demonstrate the superiority of our approach. The implementation codes are publicly available at https://github.com/yongduosui/AIA.
Authors: Shangchao Su, Mingzhao Yang, Bin Li, Xiangyang Xue
Federated learning (FL) enables multiple clients to collaboratively train a global model without disclosing their data. Previous researches often require training the complete model parameters. However, the emergence of powerful pre-trained models makes it possible to achieve higher performance with fewer learnable parameters in FL. In this paper, we propose a federated adaptive prompt tuning algorithm, FedAPT, for multi-domain collaborative image classification with powerful foundation models, like CLIP. Compared with direct federated prompt tuning, our core idea is to adaptively unlock specific domain knowledge for each test sample in order to provide them with personalized prompts. To implement this idea, we design an adaptive prompt tuning module, which consists of a meta prompt, an adaptive network, and some keys. The server randomly generates a set of keys and assigns a unique key to each client. Then all clients cooperatively train the global adaptive network and meta prompt with the local datasets and the frozen keys. Ultimately, the global aggregation model can assign a personalized prompt to CLIP based on the domain features of each test sample. We perform extensive experiments on two multi-domain image classification datasets across two different settings -- supervised and unsupervised. The results show that FedAPT can achieve better performance with less than 10\% of the number of parameters of the fully trained model, and the global model can perform well in diverse client domains simultaneously.
Authors: Keegan Harris, Anish Agarwal, Chara Podimata, Zhiwei Steven Wu
We consider the problem of decision-making using panel data, in which a decision-maker gets noisy, repeated measurements of multiple units (or agents). We consider a setup where there is a pre-intervention period, when the principal observes the outcomes of each unit, after which the principal uses these observations to assign a treatment to each unit. Unlike this classical setting, we permit the units generating the panel data to be strategic, i.e. units may modify their pre-intervention outcomes in order to receive a more desirable intervention. The principal's goal is to design a strategyproof intervention policy, i.e. a policy that assigns units to their utility-maximizing interventions despite their potential strategizing. We first identify a necessary and sufficient condition under which a strategyproof intervention policy exists, and provide a strategyproof mechanism with a simple closed form when one does exist. Along the way, we prove impossibility results for strategic multiclass classification, which may be of independent interest. When there are two interventions, we establish that there always exists a strategyproof mechanism, and provide an algorithm for learning such a mechanism. For three or more interventions, we provide an algorithm for learning a strategyproof mechanism if there exists a sufficiently large gap in the principal's rewards between different interventions. Finally, we empirically evaluate our model using real-world panel data collected from product sales over 18 months. We find that our methods compare favorably to baselines which do not take strategic interactions into consideration, even in the presence of model misspecification.
Authors: Nikolai Karpov, Qin Zhang
In this paper, we study the collaborative learning model, which concerns the tradeoff between parallelism and communication overhead in multi-agent multi-armed bandits. For regret minimization in multi-armed bandits, we present the first set of tradeoffs between the number of rounds of communication among the agents and the regret of the collaborative learning process.
Authors: Aleksandar Nikolov, Haohua Tang
We investigate unbiased high-dimensional mean estimators in differential privacy. We consider differentially private mechanisms whose expected output equals the mean of the input dataset, for every dataset drawn from a fixed bounded $d$-dimensional domain $K$. A classical approach to private mean estimation is to compute the true mean and add unbiased, but possibly correlated, Gaussian noise to it. In the first part of this paper, we study the optimal error achievable by a Gaussian noise mechanism for a given domain $K$ when the error is measured in the $\ell_p$ norm for some $p \ge 2$. We give algorithms that compute the optimal covariance for the Gaussian noise for a given $K$ under suitable assumptions, and prove a number of nice geometric properties of the optimal error. These results generalize the theory of factorization mechanisms from domains $K$ that are symmetric and finite (or, equivalently, symmetric polytopes) to arbitrary bounded domains.
In the second part of the paper we show that Gaussian noise mechanisms achieve nearly optimal error among all private unbiased mean estimation mechanisms in a very strong sense. In particular, for every input dataset, an unbiased mean estimator satisfying concentrated differential privacy introduces approximately at least as much error as the best Gaussian noise mechanism. We extend this result to local differential privacy, and to approximate differential privacy, but for the latter the error lower bound holds either for a dataset or for a neighboring dataset, and this relaxation is necessary.
Authors: Michal K. Grzeszczyk, Paulina Adamczyk, Sylwia Marek, Ryszard Pręcikowski, Maciej Kuś, M. Patrycja Lelujko, Rosmary Blanco, Tomasz Trzciński, Arkadiusz Sitek, Maciej Malawski, Aneta Lisowska
The effectiveness of digital treatments can be measured by requiring patients to self-report their state through applications, however, it can be overwhelming and causes disengagement. We conduct a study to explore the impact of gamification on self-reporting. Our approach involves the creation of a system to assess cognitive load (CL) through the analysis of photoplethysmography (PPG) signals. The data from 11 participants is utilized to train a machine learning model to detect CL. Subsequently, we create two versions of surveys: a gamified and a traditional one. We estimate the CL experienced by other participants (13) while completing surveys. We find that CL detector performance can be enhanced via pre-training on stress detection tasks. For 10 out of 13 participants, a personalized CL detector can achieve an F1 score above 0.7. We find no difference between the gamified and non-gamified surveys in terms of CL but participants prefer the gamified version.
Authors: Xinling Yu, José E. C. Serrallés, Ilias I. Giannakopoulos, Ziyue Liu, Luca Daniel, Riccardo Lattanzi, Zheng Zhang
We propose Physics-Informed Fourier Networks for Electrical Properties (EP) Tomography (PIFON-EPT), a novel deep learning-based method for EP reconstruction using noisy and/or incomplete magnetic resonance (MR) measurements. Our approach leverages the Helmholtz equation to constrain two networks, responsible for the denoising and completion of the transmit fields, and the estimation of the object's EP, respectively. We embed a random Fourier features mapping into our networks to enable efficient learning of high-frequency details encoded in the transmit fields. We demonstrated the efficacy of PIFON-EPT through several simulated experiments at 3 and 7 tesla (T) MR imaging, and showed that our method can reconstruct physically consistent EP and transmit fields. Specifically, when only $20\%$ of the noisy measured fields were used as inputs, PIFON-EPT reconstructed the EP of a phantom with $\leq 5\%$ error, and denoised and completed the measurements with $\leq 1\%$ error. Additionally, we adapted PIFON-EPT to solve the generalized Helmholtz equation that accounts for gradients of EP between inhomogeneities. This yielded improved results at interfaces between different materials without explicit knowledge of boundary conditions. PIFON-EPT is the first method that can simultaneously reconstruct EP and transmit fields from incomplete noisy MR measurements, providing new opportunities for EPT research.
Authors: Wei-Yin Ko, Daniel D'souza, Karina Nguyen, Randall Balestriero, Sara Hooker
Ensembling multiple Deep Neural Networks (DNNs) is a simple and effective way to improve top-line metrics and to outperform a larger single model. In this work, we go beyond top-line metrics and instead explore the impact of ensembling on subgroup performances. Surprisingly, we observe that even with a simple homogeneous ensemble -- all the individual DNNs share the same training set, architecture, and design choices -- the minority group performance disproportionately improves with the number of models compared to the majority group, i.e. fairness naturally emerges from ensembling. Even more surprising, we find that this gain keeps occurring even when a large number of models is considered, e.g. $20$, despite the fact that the average performance of the ensemble plateaus with fewer models. Our work establishes that simple DNN ensembles can be a powerful tool for alleviating disparate impact from DNN classifiers, thus curbing algorithmic harm. We also explore why this is the case. We find that even in homogeneous ensembles, varying the sources of stochasticity through parameter initialization, mini-batch sampling, and data-augmentation realizations, results in different fairness outcomes.
Authors: Dorian Baudry, Kazuya Suzuki, Junya Honda
In this paper we propose a general methodology to derive regret bounds for randomized multi-armed bandit algorithms. It consists in checking a set of sufficient conditions on the sampling probability of each arm and on the family of distributions to prove a logarithmic regret. As a direct application we revisit two famous bandit algorithms, Minimum Empirical Divergence (MED) and Thompson Sampling (TS), under various models for the distributions including single parameter exponential families, Gaussian distributions, bounded distributions, or distributions satisfying some conditions on their moments. In particular, we prove that MED is asymptotically optimal for all these models, but also provide a simple regret analysis of some TS algorithms for which the optimality is already known. We then further illustrate the interest of our approach, by analyzing a new Non-Parametric TS algorithm (h-NPTS), adapted to some families of unbounded reward distributions with a bounded h-moment. This model can for instance capture some non-parametric families of distributions whose variance is upper bounded by a known constant.
Authors: Qingru Zhang, Minshuo Chen, Alexander Bukharin, Nikos Karampatziakis, Pengcheng He, Yu Cheng, Weizhu Chen, Tuo Zhao
Fine-tuning large pre-trained language models on downstream tasks has become an important paradigm in NLP. However, common practice fine-tunes all of the parameters in a pre-trained model, which becomes prohibitive when a large number of downstream tasks are present. Therefore, many fine-tuning methods are proposed to learn incremental updates of pre-trained weights in a parameter efficient way, e.g., low-rank increments. These methods often evenly distribute the budget of incremental updates across all pre-trained weight matrices, and overlook the varying importance of different weight parameters. As a consequence, the fine-tuning performance is suboptimal. To bridge this gap, we propose AdaLoRA, which adaptively allocates the parameter budget among weight matrices according to their importance score. In particular, AdaLoRA parameterizes the incremental updates in the form of singular value decomposition. Such a novel approach allows us to effectively prune the singular values of unimportant updates, which is essentially to reduce their parameter budget but circumvent intensive exact SVD computations. We conduct extensive experiments with several pre-trained models on natural language processing, question answering, and natural language generation to validate the effectiveness of AdaLoRA. Results demonstrate that AdaLoRA manifests notable improvement over baselines, especially in the low budget settings. Our code is publicly available at https://github.com/QingruZhang/AdaLoRA .
Authors: Rattana Pukdee, Dylan Sam, J. Zico Kolter, Maria-Florina Balcan, Pradeep Ravikumar
As larger deep learning models are hard to interpret, there has been a recent focus on generating explanations of these black-box models. In contrast, we may have apriori explanations of how models should behave. In this paper, we formalize this notion as learning from explanation constraints and provide a learning theoretic framework to analyze how such explanations can improve the learning of our models. One may naturally ask, "When would these explanations be helpful?" Our first key contribution addresses this question via a class of models that satisfies these explanation constraints in expectation over new data. We provide a characterization of the benefits of these models (in terms of the reduction of their Rademacher complexities) for a canonical class of explanations given by gradient information in the settings of both linear models and two layer neural networks. In addition, we provide an algorithmic solution for our framework, via a variational approximation that achieves better performance and satisfies these constraints more frequently, when compared to simpler augmented Lagrangian methods to incorporate these explanations. We demonstrate the benefits of our approach over a large array of synthetic and real-world experiments.
Authors: Shijie Wu, Ozan Irsoy, Steven Lu, Vadim Dabravolski, Mark Dredze, Sebastian Gehrmann, Prabhanjan Kambadur, David Rosenberg, Gideon Mann
The use of NLP in the realm of financial technology is broad and complex, with applications ranging from sentiment analysis and named entity recognition to question answering. Large Language Models (LLMs) have been shown to be effective on a variety of tasks; however, no LLM specialized for the financial domain has been reported in literature. In this work, we present BloombergGPT, a 50 billion parameter language model that is trained on a wide range of financial data. We construct a 363 billion token dataset based on Bloomberg's extensive data sources, perhaps the largest domain-specific dataset yet, augmented with 345 billion tokens from general purpose datasets. We validate BloombergGPT on standard LLM benchmarks, open financial benchmarks, and a suite of internal benchmarks that most accurately reflect our intended usage. Our mixed dataset training leads to a model that outperforms existing models on financial tasks by significant margins without sacrificing performance on general LLM benchmarks. Additionally, we explain our modeling choices, training process, and evaluation methodology. We release Training Chronicles (Appendix C) detailing our experience in training BloombergGPT.
Authors: Tongzheng Ren, Zhaolin Ren, Haitong Ma, Na Li, Bo Dai
This paper presents an approach, Spectral Dynamics Embedding Control (SDEC), to optimal control for nonlinear stochastic systems. This method leverages an infinite-dimensional feature to linearly represent the state-action value function and exploits finite-dimensional truncation approximation for practical implementation. To characterize the effectiveness of these finite dimensional approximations, we provide an in-depth theoretical analysis to characterize the approximation error induced by the finite-dimension truncation and statistical error induced by finite-sample approximation in both policy evaluation and policy optimization. Our analysis includes two prominent kernel approximation methods: truncations onto random features and Nystrom features. We also empirically test the algorithm and compare the performance with Koopman-based, iLQR, and energy-based methods on a few benchmark problems.
Authors: Prithila Angkan, Behnam Behinaein, Zunayed Mahmud, Anubhav Bhatti, Dirk Rodenburg, Paul Hungler, Ali Etemad
Through this paper, we introduce a novel driver cognitive load assessment dataset, CL-Drive, which contains Electroencephalogram (EEG) signals along with other physiological signals such as Electrocardiography (ECG) and Electrodermal Activity (EDA) as well as eye tracking data. The data was collected from 21 subjects while driving in an immersive vehicle simulator, in various driving conditions, to induce different levels of cognitive load in the subjects. The tasks consisted of 9 complexity levels for 3 minutes each. Each driver reported their subjective cognitive load every 10 seconds throughout the experiment. The dataset contains the subjective cognitive load recorded as ground truth. In this paper, we also provide benchmark classification results for different machine learning and deep learning models for both binary and ternary label distributions. We followed 2 evaluation criteria namely 10-fold and leave-one-subject-out (LOSO). We have trained our models on both hand-crafted features as well as on raw data.
Authors: Boxin Wang, Wei Ping, Peng Xu, Lawrence McAfee, Zihan Liu, Mohammad Shoeybi, Yi Dong, Oleksii Kuchaiev, Bo Li, Chaowei Xiao, Anima Anandkumar, Bryan Catanzaro
Large decoder-only language models (LMs) can be largely improved in terms of perplexity by retrieval (e.g., RETRO), but its impact on text generation quality and downstream task accuracy is unclear. Thus, it is still an open question: shall we pretrain large autoregressive LMs with retrieval? To answer it, we perform a comprehensive study on a scalable pre-trained retrieval-augmented LM (i.e., RETRO) compared with standard GPT and retrieval-augmented GPT incorporated at fine-tuning or inference stages. We first provide the recipe to reproduce RETRO up to 9.5B parameters while retrieving a text corpus with 330B tokens. Based on that, we have the following novel findings: i) RETRO outperforms GPT on text generation with much less degeneration (i.e., repetition), moderately higher factual accuracy, and slightly lower toxicity with a nontoxic retrieval database. ii) On the LM Evaluation Harness benchmark, RETRO largely outperforms GPT on knowledge-intensive tasks, but is on par with GPT on other tasks. Furthermore, we introduce a simple variant of the model, RETRO++, which largely improves open-domain QA results of original RETRO (e.g., EM score +8.6 on Natural Question) and significantly outperforms retrieval-augmented GPT in both fine-tuning and zero-shot evaluation settings. Our findings highlight the promising direction of pretraining autoregressive LMs with retrieval as future foundation models. We release our code and model at: https://github.com/NVIDIA/Megatron-LM/blob/main/tools/retro/README.md
Authors: Georg Schollmeyer, Hannah Blocher
This short note describes and proves a connectedness property which was introduced in Blocher et al. [2023] in the context of data depth functions for partial orders. The connectedness property gives a structural insight into union-free generic sets. These sets, presented in Blocher et al. [2023], are defined by using a closure operator on the set of all partial orders which naturally appears within the theory of formal concept analysis. In the language of formal concept analysis, the property of connectedness can be vividly proven. However, since within Blocher et al. [2023] we did not discuss formal concept analysis, we outsourced the proof to this note.
Authors: Alceu Bissoto, Catarina Barata, Eduardo Valle, Sandra Avila
Distribution shifts are common in real-world datasets and can affect the performance and reliability of deep learning models. In this paper, we study two types of distribution shifts: diversity shifts, which occur when test samples exhibit patterns unseen during training, and correlation shifts, which occur when test data present a different correlation between seen invariant and spurious features. We propose an integrated protocol to analyze both types of shifts using datasets where they co-exist in a controllable manner. Finally, we apply our approach to a real-world classification problem of skin cancer analysis, using out-of-distribution datasets and specialized bias annotations. Our protocol reveals three findings: 1) Models learn and propagate correlation shifts even with low-bias training; this poses a risk of accumulating and combining unaccountable weak biases; 2) Models learn robust features in high- and low-bias scenarios but use spurious ones if test samples have them; this suggests that spurious correlations do not impair the learning of robust features; 3) Diversity shift can reduce the reliance on spurious correlations; this is counter intuitive since we expect biased models to depend more on biases when invariant features are missing. Our work has implications for distribution shift research and practice, providing new insights into how models learn and rely on spurious correlations under different types of shifts.
Authors: Mingtian Zhang, Alex Hawkins-Hooker, Brooks Paige, David Barber
Energy-Based Models (EBMs) offer a versatile framework for modeling complex data distributions. However, training and sampling from EBMs continue to pose significant challenges. The widely-used Denoising Score Matching (DSM) method for scalable EBM training suffers from inconsistency issues, causing the energy model to learn a `noisy' data distribution. In this work, we propose an efficient sampling framework: (pseudo)-Gibbs sampling with moment matching, which enables effective sampling from the underlying clean model when given a `noisy' model that has been well-trained via DSM. We explore the benefits of our approach compared to related methods and demonstrate how to scale the method to high-dimensional datasets.
Authors: Simon Wiegrebe, Philipp Kopper, Raphael Sonabend, Bernd Bischl, Andreas Bender
The influx of deep learning (DL) techniques into the field of survival analysis in recent years has led to substantial methodological progress; for instance, learning from unstructured or high-dimensional data such as images, text or omics data. In this work, we conduct a comprehensive systematic review of DL-based methods for time-to-event analysis, characterizing them according to both survival- and DL-related attributes. In summary, the reviewed methods often address only a small subset of tasks relevant to time-to-event data - e.g., single-risk right-censored data - and neglect to incorporate more complex settings. Our findings are summarized in an editable, open-source, interactive table: https://survival-org.github.io/DL4Survival. As this research area is advancing rapidly, we encourage community contribution in order to keep this database up to date.
Authors: Sungnyun Kim, Junsoo Lee, Kibeom Hong, Daesik Kim, Namhyuk Ahn
In this study, we aim to extend the capabilities of diffusion-based text-to-image (T2I) generation models by incorporating diverse modalities beyond textual description, such as sketch, box, color palette, and style embedding, within a single model. We thus design a multimodal T2I diffusion model, coined as DiffBlender, by separating the channels of conditions into three types, i.e., image forms, spatial tokens, and non-spatial tokens. The unique architecture of DiffBlender facilitates adding new input modalities, pioneering a scalable framework for conditional image generation. Notably, we achieve this without altering the parameters of the existing generative model, Stable Diffusion, only with updating partial components. Our study establishes new benchmarks in multimodal generation through quantitative and qualitative comparisons with existing conditional generation methods. We demonstrate that DiffBlender faithfully blends all the provided information and showcase its various applications in the detailed image synthesis.
Authors: Anthony Gruber, Kookjin Lee, Nathaniel Trask
Recent works have shown that physics-inspired architectures allow the training of deep graph neural networks (GNNs) without oversmoothing. The role of these physics is unclear, however, with successful examples of both reversible (e.g., Hamiltonian) and irreversible (e.g., diffusion) phenomena producing comparable results despite diametrically opposed mechanisms, and further complications arising due to empirical departures from mathematical theory. This work presents a series of novel GNN architectures based upon structure-preserving bracket-based dynamical systems, which are provably guaranteed to either conserve energy or generate positive dissipation with increasing depth. It is shown that the theoretically principled framework employed here allows for inherently explainable constructions, which contextualize departures from theory in current architectures and better elucidate the roles of reversibility and irreversibility in network performance.
Authors: Jean-Yves Franceschi, Mike Gartrell, Ludovic Dos Santos, Thibaut Issenhuth, Emmanuel de Bézenac, Mickaël Chen, Alain Rakotomamonjy
Particle-based deep generative models, such as gradient flows and score-based diffusion models, have recently gained traction thanks to their striking performance. Their principle of displacing particle distributions using differential equations is conventionally seen as opposed to the previously widespread generative adversarial networks (GANs), which involve training a pushforward generator network. In this paper we challenge this interpretation, and propose a novel framework that unifies particle and adversarial generative models by framing generator training as a generalization of particle models. This suggests that a generator is an optional addition to any such generative model. Consequently, integrating a generator into a score-based diffusion model and training a GAN without a generator naturally emerge from our framework. We empirically test the viability of these original models as proofs of concepts of potential applications of our framework.
Authors: Ba-Hien Tran, Giulio Franzese, Pietro Michiardi, Maurizio Filippone
Generative Models (GMs) have attracted considerable attention due to their tremendous success in various domains, such as computer vision where they are capable to generate impressive realistic-looking images. Likelihood-based GMs are attractive due to the possibility to generate new data by a single model evaluation. However, they typically achieve lower sample quality compared to state-of-the-art score-based diffusion models (DMs). This paper provides a significant step in the direction of addressing this limitation. The idea is to borrow one of the strengths of score-based DMs, which is the ability to perform accurate density estimation in low-density regions and to address manifold overfitting by means of data mollification. We connect data mollification through the addition of Gaussian noise to Gaussian homotopy, which is a well-known technique to improve optimization. Data mollification can be implemented by adding one line of code in the optimization loop, and we demonstrate that this provides a boost in generation quality of likelihood-based GMs, without computational overheads. We report results on image data sets with popular likelihood-based GMs, including variants of variational autoencoders and normalizing flows, showing large improvements in FID score.
Authors: Roi Peleg, Teddy Lazebnik, Assaf Hoogi
The performance improvement of deep networks significantly depends on their optimizers. With existing optimizers, precise and efficient recognition of the gradients trend remains a challenge. Existing optimizers predominantly adopt techniques based on the first-order exponential moving average (EMA), which results in noticeable delays that impede the real-time tracking of gradients trend and consequently yield sub-optimal performance. To overcome this limitation, we introduce a novel optimizer called fast-adaptive moment estimation (FAME). Inspired by the triple exponential moving average (TEMA) used in the financial domain, FAME leverages the potency of higher-order TEMA to improve the precision of identifying gradient trends. TEMA plays a central role in the learning process as it actively influences optimization dynamics; this role differs from its conventional passive role as a technical indicator in financial contexts. Because of the introduction of TEMA into the optimization process, FAME can identify gradient trends with higher accuracy and fewer lag issues, thereby offering smoother and more consistent responses to gradient fluctuations compared to conventional first-order EMA. To study the effectiveness of our novel FAME optimizer, we conducted comprehensive experiments encompassing six diverse computer-vision benchmarks and tasks, spanning detection, classification, and semantic comprehension. We integrated FAME into 15 learning architectures and compared its performance with those of six popular optimizers. Results clearly showed that FAME is more robust and accurate and provides superior performance stability by minimizing noise (i.e., trend fluctuations). Notably, FAME achieves higher accuracy levels in remarkably fewer training epochs than its counterparts, clearly indicating its significance for optimizing deep networks in computer-vision tasks.
Authors: Meysam Alishahi, Anna Little, Jeff M. Phillips
In linear distance metric learning, we are given data in one Euclidean metric space and the goal is to find an appropriate linear map to another Euclidean metric space which respects certain distance conditions as much as possible. In this paper, we formalize a simple and elegant method which reduces to a general continuous convex loss optimization problem, and for different noise models we derive the corresponding loss functions. We show that even if the data is noisy, the ground truth linear metric can be learned with any precision provided access to enough samples, and we provide a corresponding sample complexity bound. Moreover, we present an effective way to truncate the learned model to a low-rank model that can provably maintain the accuracy in loss function and in parameters -- the first such results of this type. Several experimental observations on synthetic and real data sets support and inform our theoretical results.
Authors: Xidong Feng, Yicheng Luo, Ziyan Wang, Hongrui Tang, Mengyue Yang, Kun Shao, David Mguni, Yali Du, Jun Wang
When solving decision-making tasks, humans typically depend on information from two key sources: (1) Historical policy data, which provides interaction replay from the environment, and (2) Analytical insights in natural language form, exposing the invaluable thought process or strategic considerations. Despite this, the majority of preceding research focuses on only one source: they either use historical replay exclusively to directly learn policy or value functions, or engaged in language model training utilizing mere language corpus. In this paper, we argue that a powerful autonomous agent should cover both sources. Thus, we propose ChessGPT, a GPT model bridging policy learning and language modeling by integrating data from these two sources in Chess games. Specifically, we build a large-scale game and language dataset related to chess. Leveraging the dataset, we showcase two model examples ChessCLIP and ChessGPT, integrating policy learning and language modeling. Finally, we propose a full evaluation framework for evaluating language model's chess ability. Experimental results validate our model and dataset's effectiveness. We open source our code, model, and dataset at https://github.com/waterhorse1/ChessGPT.
Authors: Xudong Wang, Shufan Li, Konstantinos Kallidromitis, Yusuke Kato, Kazuki Kozuka, Trevor Darrell
Open-vocabulary image segmentation aims to partition an image into semantic regions according to arbitrary text descriptions. However, complex visual scenes can be naturally decomposed into simpler parts and abstracted at multiple levels of granularity, introducing inherent segmentation ambiguity. Unlike existing methods that typically sidestep this ambiguity and treat it as an external factor, our approach actively incorporates a hierarchical representation encompassing different semantic-levels into the learning process. We propose a decoupled text-image fusion mechanism and representation learning modules for both "things" and "stuff". Additionally, we systematically examine the differences that exist in the textual and visual features between these types of categories. Our resulting model, named HIPIE, tackles HIerarchical, oPen-vocabulary, and unIvErsal segmentation tasks within a unified framework. Benchmarked on over 40 datasets, e.g., ADE20K, COCO, Pascal-VOC Part, RefCOCO/RefCOCOg, ODinW and SeginW, HIPIE achieves the state-of-the-art results at various levels of image comprehension, including semantic-level (e.g., semantic segmentation), instance-level (e.g., panoptic/referring segmentation and object detection), as well as part-level (e.g., part/subpart segmentation) tasks. Our code is released at https://github.com/berkeley-hipie/HIPIE.
Authors: Reijo Jaakkola, Tomi Janhunen, Antti Kuusisto, Masood Feyzbakhsh Rankooh, Miikka Vilander
We investigate explainability via short Boolean formulas in the data model based on unary relations. As an explanation of length k, we take a Boolean formula of length k that minimizes the error with respect to the target attribute to be explained. We first provide novel quantitative bounds for the expected error in this scenario. We then also demonstrate how the setting works in practice by studying three concrete data sets. In each case, we calculate explanation formulas of different lengths using an encoding in Answer Set Programming. The most accurate formulas we obtain achieve errors similar to other methods on the same data sets. However, due to overfitting, these formulas are not necessarily ideal explanations, so we use cross validation to identify a suitable length for explanations. By limiting to shorter formulas, we obtain explanations that avoid overfitting but are still reasonably accurate and also, importantly, human interpretable.
Authors: Hadi Abdine, Michail Chatzianastasis, Costas Bouyioukos, Michalis Vazirgiannis
The complex nature of big biological systems pushed some scientists to classify its understanding under the inconceivable missions. Different leveled challenges complicated this task, one of is the prediction of a protein's function. In recent years, significant progress has been made in this field through the development of various machine learning approaches. However, most existing methods formulate the task as a multi-classification problem, i.e assigning predefined labels to proteins. In this work, we propose a novel approach, \textbf{Prot2Text}, which predicts a protein function's in a free text style, moving beyond the conventional binary or categorical classifications. By combining Graph Neural Networks(GNNs) and Large Language Models(LLMs), in an encoder-decoder framework, our model effectively integrates diverse data types including proteins' sequences, structures, and textual annotations. This multimodal approach allows for a holistic representation of proteins' functions, enabling the generation of detailed and accurate descriptions. To evaluate our model, we extracted a multimodal protein dataset from SwissProt, and demonstrate empirically the effectiveness of Prot2Text. These results highlight the transformative impact of multimodal models, specifically the fusion of GNNs and LLMs, empowering researchers with powerful tools for more accurate prediction of proteins' functions. The code, the models and a demo will be publicly released.
Authors: Andy Zou, Zifan Wang, Nicholas Carlini, Milad Nasr, J. Zico Kolter, Matt Fredrikson
Because "out-of-the-box" large language models are capable of generating a great deal of objectionable content, recent work has focused on aligning these models in an attempt to prevent undesirable generation. While there has been some success at circumventing these measures -- so-called "jailbreaks" against LLMs -- these attacks have required significant human ingenuity and are brittle in practice. In this paper, we propose a simple and effective attack method that causes aligned language models to generate objectionable behaviors. Specifically, our approach finds a suffix that, when attached to a wide range of queries for an LLM to produce objectionable content, aims to maximize the probability that the model produces an affirmative response (rather than refusing to answer). However, instead of relying on manual engineering, our approach automatically produces these adversarial suffixes by a combination of greedy and gradient-based search techniques, and also improves over past automatic prompt generation methods.
Surprisingly, we find that the adversarial prompts generated by our approach are quite transferable, including to black-box, publicly released LLMs. Specifically, we train an adversarial attack suffix on multiple prompts (i.e., queries asking for many different types of objectionable content), as well as multiple models (in our case, Vicuna-7B and 13B). When doing so, the resulting attack suffix is able to induce objectionable content in the public interfaces to ChatGPT, Bard, and Claude, as well as open source LLMs such as LLaMA-2-Chat, Pythia, Falcon, and others. In total, this work significantly advances the state-of-the-art in adversarial attacks against aligned language models, raising important questions about how such systems can be prevented from producing objectionable information. Code is available at github.com/llm-attacks/llm-attacks.
Authors: Yihua Zhang, Prashant Khanduri, Ioannis Tsaknakis, Yuguang Yao, Mingyi Hong, Sijia Liu
Recently, bi-level optimization (BLO) has taken center stage in some very exciting developments in the area of signal processing (SP) and machine learning (ML). Roughly speaking, BLO is a classical optimization problem that involves two levels of hierarchy (i.e., upper and lower levels), wherein obtaining the solution to the upper-level problem requires solving the lower-level one. BLO has become popular largely because it is powerful in modeling problems in SP and ML, among others, that involve optimizing nested objective functions. Prominent applications of BLO range from resource allocation for wireless systems to adversarial machine learning. In this work, we focus on a class of tractable BLO problems that often appear in SP and ML applications. We provide an overview of some basic concepts of this class of BLO problems, such as their optimality conditions, standard algorithms (including their optimization principles and practical implementations), as well as how they can be leveraged to obtain state-of-the-art results for a number of key SP and ML applications. Further, we discuss some recent advances in BLO theory, its implications for applications, and point out some limitations of the state-of-the-art that require significant future research efforts. Overall, we hope that this article can serve to accelerate the adoption of BLO as a generic tool to model, analyze, and innovate on a wide array of emerging SP and ML applications.
Authors: Jorge Paz-Ruza, Amparo Alonso-Betanzos, Berta Guijarro-Berdiñas, Brais Cancela, Carlos Eiras-Franco
Recommender Systems have become crucial in the modern world, commonly guiding users towards relevant content or products, and having a large influence over the decisions of users and citizens. However, ensuring transparency and user trust in these systems remains a challenge; personalized explanations have emerged as a solution, offering justifications for recommendations. Among the existing approaches for generating personalized explanations, using existing visual content created by users is a promising option to maximize transparency and user trust. State-of-the-art models that follow this approach, despite leveraging highly optimized architectures, employ surrogate learning tasks that do not efficiently model the objective of ranking images as explanations for a given recommendation; this leads to a suboptimal training process with high computational costs that may not be reduced without affecting model performance. This work presents BRIE, a novel model where we leverage Bayesian Pairwise Ranking to enhance the training process, allowing us to consistently outperform state-of-the-art models in six real-world datasets while reducing its model size by up to 64 times and its CO${_2}$ emissions by up to 75% in training and inference.
Authors: Anirbit Mukherjee, Amartya Roy
Deep Operator Networks are an increasingly popular paradigm for solving regression in infinite dimensions and hence solve families of PDEs in one shot. In this work, we aim to establish a first-of-its-kind data-dependent lowerbound on the size of DeepONets required for them to be able to reduce empirical error on noisy data. In particular, we show that for low training errors to be obtained on $n$ data points it is necessary that the common output dimension of the branch and the trunk net be scaling as $\Omega \left ( \sqrt[\leftroot{-1}\uproot{-1}6]{n} \right )$.
This inspires our experiments with DeepONets solving the advection-diffusion-reaction PDE, where we demonstrate the possibility that at a fixed model size, to leverage increase in this common output dimension and get monotonic lowering of training error, the size of the training data might necessarily need to scale at least quadratically with it.
Authors: Jiajia Li, Mingle Xu, Lirong Xiang, Dong Chen, Weichao Zhuang, Xunyuan Yin, Zhaojian Li
The past decade has witnessed the rapid development of ML and DL methodologies in agricultural systems, showcased by great successes in variety of agricultural applications. However, these conventional ML/DL models have certain limitations: They heavily rely on large, costly-to-acquire labeled datasets for training, require specialized expertise for development and maintenance, and are mostly tailored for specific tasks, thus lacking generalizability. Recently, foundation models have demonstrated remarkable successes in language and vision tasks across various domains. These models are trained on a vast amount of data from multiple domains and modalities. Once trained, they can accomplish versatile tasks with just minor fine-tuning and minimal task-specific labeled data. Despite their proven effectiveness and huge potential, there has been little exploration of applying FMs to agriculture fields. Therefore, this study aims to explore the potential of FMs in the field of smart agriculture. In particular, we present conceptual tools and technical background to facilitate the understanding of the problem space and uncover new research directions in this field. To this end, we first review recent FMs in the general computer science domain and categorize them into four categories: language FMs, vision FMs, multimodal FMs, and reinforcement learning FMs. Subsequently, we outline the process of developing agriculture FMs and discuss their potential applications in smart agriculture. We also discuss the unique challenges associated with developing AFMs, including model training, validation, and deployment. Through this study, we contribute to the advancement of AI in agriculture by introducing AFMs as a promising paradigm that can significantly mitigate the reliance on extensive labeled datasets and enhance the efficiency, effectiveness, and generalization of agricultural AI systems.
Authors: Anubhav Jain, Nasir Memon, Julian Togelius
Deep generative models require large amounts of training data. This often poses a problem as the collection of datasets can be expensive and difficult, in particular datasets that are representative of the appropriate underlying distribution (e.g. demographic). This introduces biases in datasets which are further propagated in the models. We present an approach to construct an unbiased generative adversarial network (GAN) from an existing biased GAN by rebalancing the model distribution. We do so by generating balanced data from an existing imbalanced deep generative model using an evolutionary algorithm and then using this data to train a balanced generative model. Additionally, we propose a bias mitigation loss function that minimizes the deviation of the learned class distribution from being equiprobable. We show results for the StyleGAN2 models while training on the Flickr Faces High Quality (FFHQ) dataset for racial fairness and see that the proposed approach improves on the fairness metric by almost 5 times, whilst maintaining image quality. We further validate our approach by applying it to an imbalanced CIFAR10 dataset where we show that we can obtain comparable fairness and image quality as when training on a balanced CIFAR10 dataset which is also twice as large. Lastly, we argue that the traditionally used image quality metrics such as Frechet inception distance (FID) are unsuitable for scenarios where the class distributions are imbalanced and a balanced reference set is not available.
Authors: Aghabiglou A, Chu C S, Jackson A, Dabbech A, Wiaux Y
We present a novel AI approach for high-resolution high-dynamic range synthesis imaging by radio interferometry (RI) in astronomy. R2D2, standing for ``{R}esidual-to-{R}esidual {D}NN series for high-{D}ynamic range imaging'', is a model-based data-driven approach relying on hybrid deep neural networks (DNNs) and data-consistency updates. Its reconstruction is built as a series of residual images estimated as the outputs of DNNs, each taking the residual dirty image of the previous iteration as an input. The approach can be interpreted as a learned version of a matching pursuit approach, whereby model components are iteratively identified from residual dirty images, and of which CLEAN is a well-known example. We propose two variants of the R2D2 model, built upon two distinctive DNN architectures: a standard U-Net, and a novel unrolled architecture. We demonstrate their use for monochromatic intensity imaging on highly-sensitive observations of the radio galaxy Cygnus A at S band, from the Very Large Array (VLA). R2D2 is validated against CLEAN and the recent RI algorithms AIRI and uSARA, which respectively inject a learned implicit regularization and an advanced handcrafted sparsity-based regularization into the RI data. With only few terms in its series, the R2D2 model is able to deliver high-precision imaging, superseding the resolution of CLEAN, and matching the precision of AIRI and uSARA. In terms of computational efficiency, R2D2 runs at a fraction of the cost of AIRI and uSARA, and is also faster than CLEAN, opening the door to near real-time precision imaging in RI.
Authors: Harrison Rosenberg, Shimaa Ahmed, Guruprasad V Ramesh, Ramya Korlakai Vinayak, Kassem Fawaz
Text-to-image diffusion models have achieved widespread popularity due to their unprecedented image generation capability. In particular, their ability to synthesize and modify human faces has spurred research into using generated face images in both training data augmentation and model performance assessments. In this paper, we study the efficacy and shortcomings of generative models in the context of face generation. Utilizing a combination of qualitative and quantitative measures, including embedding-based metrics and user studies, we present a framework to audit the characteristics of generated faces conditioned on a set of social attributes. We applied our framework on faces generated through state-of-the-art text-to-image diffusion models. We identify several limitations of face image generation that include faithfulness to the text prompt, demographic disparities, and distributional shifts. Furthermore, we present an analytical model that provides insights into how training data selection contributes to the performance of generative models.
Authors: Mengyue Yang, Zhen Fang, Yonggang Zhang, Yali Du, Furui Liu, Jean-Francois Ton, Jianhong Wang, Jun Wang
Out-of-distribution (OOD) generalization is indispensable for learning models in the wild, where testing distribution typically unknown and different from the training. Recent methods derived from causality have shown great potential in achieving OOD generalization. However, existing methods mainly focus on the invariance property of causes, while largely overlooking the property of \textit{sufficiency} and \textit{necessity} conditions. Namely, a necessary but insufficient cause (feature) is invariant to distribution shift, yet it may not have required accuracy. By contrast, a sufficient yet unnecessary cause (feature) tends to fit specific data well but may have a risk of adapting to a new domain. To capture the information of sufficient and necessary causes, we employ a classical concept, the probability of sufficiency and necessary causes (PNS), which indicates the probability of whether one is the necessary and sufficient cause. To associate PNS with OOD generalization, we propose PNS risk and formulate an algorithm to learn representation with a high PNS value. We theoretically analyze and prove the generalizability of the PNS risk. Experiments on both synthetic and real-world benchmarks demonstrate the effectiveness of the proposed method. The details of the implementation can be found at the GitHub repository: https://github.com/ymy4323460/CaSN.
Authors: Derek Yadgaroff, Alessandro Sestini, Konrad Tollmar, Ayca Ozcelikkale, Linus Gisslén
Imitation learning is an effective approach for training game-playing agents and, consequently, for efficient game production. However, generalization - the ability to perform well in related but unseen scenarios - is an essential requirement that remains an unsolved challenge for game AI. Generalization is difficult for imitation learning agents because it requires the algorithm to take meaningful actions outside of the training distribution. In this paper we propose a solution to this challenge. Inspired by the success of data augmentation in supervised learning, we augment the training data so the distribution of states and actions in the dataset better represents the real state-action distribution. This study evaluates methods for combining and applying data augmentations to observations, to improve generalization of imitation learning agents. It also provides a performance benchmark of these augmentations across several 3D environments. These results demonstrate that data augmentation is a promising framework for improving generalization in imitation learning agents.
Authors: Berken Utku Demirel, Christian Holz
The success of contrastive learning is well known to be dependent on data augmentation. Although the degree of data augmentations has been well controlled by utilizing pre-defined techniques in some domains like vision, time-series data augmentation is less explored and remains a challenging problem due to the complexity of the data generation mechanism, such as the intricate mechanism involved in the cardiovascular system. Moreover, there is no widely recognized and general time-series augmentation method that can be applied across different tasks. In this paper, we propose a novel data augmentation method for quasi-periodic time-series tasks that aims to connect intra-class samples together, and thereby find order in the latent space. Our method builds upon the well-known mixup technique by incorporating a novel approach that accounts for the periodic nature of non-stationary time-series. Also, by controlling the degree of chaos created by data augmentation, our method leads to improved feature representations and performance on downstream tasks. We evaluate our proposed method on three time-series tasks, including heart rate estimation, human activity recognition, and cardiovascular disease detection. Extensive experiments against state-of-the-art methods show that the proposed approach outperforms prior works on optimal data generation and known data augmentation techniques in the three tasks, reflecting the effectiveness of the presented method. Source code: https://github.com/eth-siplab/Finding_Order_in_Chaos
Authors: Morris Yau, Eric Lu, Nikolaos Karalias, Jessica Xu, Stefanie Jegelka
In this work we design graph neural network architectures that can be used to obtain optimal approximation algorithms for a large class of combinatorial optimization problems using powerful algorithmic tools from semidefinite programming (SDP). Concretely, we prove that polynomial-sized message passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high-quality approximate solutions on landmark combinatorial optimization problems such as Max Cut and maximum independent set. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against both neural baselines and classical algorithms. Finally, we take advantage of OptGNN's ability to capture convex relaxations to design an algorithm for producing dual certificates of optimality (bounds on the optimal solution) from the learned embeddings of OptGNN.
Authors: Dinghuai Zhang, Ricky T. Q. Chen, Cheng-Hao Liu, Aaron Courville, Yoshua Bengio
We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.
Authors: Tony Shen, Mohit Pandey, Jason Smith, Artem Cherkasov, Martin Ester
We seek to automate the generation of drug-like compounds conditioned to specific protein pocket targets. Most current methods approximate the protein-molecule distribution of a finite dataset and, therefore struggle to generate molecules with significant binding improvement over the training dataset. We instead frame the pocket-conditioned molecular generation task as an RL problem and develop TacoGFN, a target conditional Generative Flow Network model. Our method is explicitly encouraged to generate molecules with desired properties as opposed to fitting on a pre-existing data distribution. To this end, we develop transformer-based docking score prediction to speed up docking score computation and propose TacoGFN to explore molecule space efficiently. Furthermore, we incorporate several rounds of active learning where generated samples are queried using a docking oracle to improve the docking score prediction. This approach allows us to accurately explore as much of the molecule landscape as we can afford computationally. Empirically, molecules generated using TacoGFN and its variants significantly outperform all baseline methods across every property (Docking score, QED, SA, Lipinski), while being orders of magnitude faster.
Authors: Shutong Ding, Jingya Wang, Yali Du, Ye Shi
Recent advances in constrained reinforcement learning (RL) have endowed reinforcement learning with certain safety guarantees. However, deploying existing constrained RL algorithms in continuous control tasks with general hard constraints remains challenging, particularly in those situations with non-convex hard constraints. Inspired by the generalized reduced gradient (GRG) algorithm, a classical constrained optimization technique, we propose a reduced policy optimization (RPO) algorithm that combines RL with GRG to address general hard constraints. RPO partitions actions into basic actions and nonbasic actions following the GRG method and outputs the basic actions via a policy network. Subsequently, RPO calculates the nonbasic actions by solving equations based on equality constraints using the obtained basic actions. The policy network is then updated by implicitly differentiating nonbasic actions with respect to basic actions. Additionally, we introduce an action projection procedure based on the reduced gradient and apply a modified Lagrangian relaxation technique to ensure inequality constraints are satisfied. To the best of our knowledge, RPO is the first attempt that introduces GRG to RL as a way of efficiently handling both equality and inequality hard constraints. It is worth noting that there is currently a lack of RL environments with complex hard constraints, which motivates us to develop three new benchmarks: two robotics manipulation tasks and a smart grid operation control task. With these benchmarks, RPO achieves better performance than previous constrained RL algorithms in terms of both cumulative reward and constraint violation. We believe RPO, along with the new benchmarks, will open up new opportunities for applying RL to real-world problems with complex constraints.
Authors: Shutong Ding, Tianyu Cui, Jingya Wang, Ye Shi
Deep Equilibrium Models (DEQs) and Neural Ordinary Differential Equations (Neural ODEs) are two branches of implicit models that have achieved remarkable success owing to their superior performance and low memory consumption. While both are implicit models, DEQs and Neural ODEs are derived from different mathematical formulations. Inspired by homotopy continuation, we establish a connection between these two models and illustrate that they are actually two sides of the same coin. Homotopy continuation is a classical method of solving nonlinear equations based on a corresponding ODE. Given this connection, we proposed a new implicit model called HomoODE that inherits the property of high accuracy from DEQs and the property of stability from Neural ODEs. Unlike DEQs, which explicitly solve an equilibrium-point-finding problem via Newton's methods in the forward pass, HomoODE solves the equilibrium-point-finding problem implicitly using a modified Neural ODE via homotopy continuation. Further, we developed an acceleration method for HomoODE with a shared learnable initial point. It is worth noting that our model also provides a better understanding of why Augmented Neural ODEs work as long as the augmented part is regarded as the equilibrium point to find. Comprehensive experiments with several image classification tasks demonstrate that HomoODE surpasses existing implicit models in terms of both accuracy and memory consumption.
Authors: Vibhas K. Vats, Sripad Joshi, David J. Crandall, Md. Alimoor Reza, Soon-heung Jung
Traditional multi-view stereo (MVS) methods rely heavily on photometric and geometric consistency constraints, but newer machine learning-based MVS methods check geometric consistency across multiple source views only as a post-processing step. In this paper, we present a novel approach that explicitly encourages geometric consistency of reference view depth maps across multiple source views at different scales during learning (see Fig. 1). We find that adding this geometric consistency loss significantly accelerates learning by explicitly penalizing geometrically inconsistent pixels, reducing the training iteration requirements to nearly half that of other MVS methods. Our extensive experiments show that our approach achieves a new state-of-the-art on the DTU and BlendedMVS datasets, and competitive results on the Tanks and Temples benchmark. To the best of our knowledge, GC-MVSNet is the first attempt to enforce multi-view, multi-scale geometric consistency during learning.
Authors: Haoyi Duan, Yan Xia, Mingze Zhou, Li Tang, Jieming Zhu, Zhou Zhao
In recent years, the deployment of large-scale pre-trained models in audio-visual downstream tasks has yielded remarkable outcomes. However, these models, primarily trained on single-modality unconstrained datasets, still encounter challenges in feature extraction for multi-modal tasks, leading to suboptimal performance. This limitation arises due to the introduction of irrelevant modality-specific information during encoding, which adversely affects the performance of downstream tasks. To address this challenge, this paper proposes a novel Dual-Guided Spatial-Channel-Temporal (DG-SCT) attention mechanism. This mechanism leverages audio and visual modalities as soft prompts to dynamically adjust the parameters of pre-trained models based on the current multi-modal input features. Specifically, the DG-SCT module incorporates trainable cross-modal interaction layers into pre-trained audio-visual encoders, allowing adaptive extraction of crucial information from the current modality across spatial, channel, and temporal dimensions, while preserving the frozen parameters of large-scale pre-trained models. Experimental evaluations demonstrate that our proposed model achieves state-of-the-art results across multiple downstream tasks, including AVE, AVVP, AVS, and AVQA. Furthermore, our model exhibits promising performance in challenging few-shot and zero-shot scenarios. The source code and pre-trained models are available at https://github.com/haoyi-duan/DG-SCT.
Authors: Yunfei Chu, Jin Xu, Xiaohuan Zhou, Qian Yang, Shiliang Zhang, Zhijie Yan, Chang Zhou, Jingren Zhou
Recently, instruction-following audio-language models have received broad attention for audio interaction with humans. However, the absence of pre-trained audio models capable of handling diverse audio types and tasks has hindered progress in this field. Consequently, most existing works have only been able to support a limited range of interaction capabilities. In this paper, we develop the Qwen-Audio model and address this limitation by scaling up audio-language pre-training to cover over 30 tasks and various audio types, such as human speech, natural sounds, music, and songs, to facilitate universal audio understanding abilities. However, directly co-training all tasks and datasets can lead to interference issues, as the textual labels associated with different datasets exhibit considerable variations due to differences in task focus, language, granularity of annotation, and text structure. To overcome the one-to-many interference, we carefully design a multi-task training framework by conditioning on a sequence of hierarchical tags to the decoder for encouraging knowledge sharing and avoiding interference through shared and specified tags respectively. Remarkably, Qwen-Audio achieves impressive performance across diverse benchmark tasks without requiring any task-specific fine-tuning, surpassing its counterparts. Building upon the capabilities of Qwen-Audio, we further develop Qwen-Audio-Chat, which allows for input from various audios and text inputs, enabling multi-turn dialogues and supporting various audio-central scenarios.
Authors: Martin Cubaud (LaSTIG), Arnaud Le Bris (LaSTIG), Laurence Jolivet (LaSTIG), Ana-Maria Olteanu-Raimond (LaSTIG)
Accurate land use maps, describing the territory from an anthropic utilisation point of view, are useful tools for land management and planning. To produce them, the use of optical images alone remains limited. It is therefore necessary to make use of several heterogeneous sources, each carrying complementary or contradictory information due to their imperfections or their different specifications. This study compares two different approaches i.e. a pre-classification and a post-classification fusion approach for combining several sources of spatial data in the context of land use classification. The approaches are applied on authoritative land use data located in the Gers department in the southwest of France. Pre-classification fusion, while not explicitly modeling imperfections, has the best final results, reaching an overall accuracy of 97% and a macro-mean F1 score of 88%.
Authors: Ryutaro Tanno, David G.T. Barrett, Andrew Sellergren, Sumedh Ghaisas, Sumanth Dathathri, Abigail See, Johannes Welbl, Karan Singhal, Shekoofeh Azizi, Tao Tu, Mike Schaekermann, Rhys May, Roy Lee, SiWai Man, Zahra Ahmed, Sara Mahdavi, Yossi Matias, Joelle Barral, Ali Eslami, Danielle Belgrave, Vivek Natarajan, Shravya Shetty, Pushmeet Kohli, Po-Sen Huang, Alan Karthikesalingam, Ira Ktena
Radiology reports are an instrumental part of modern medicine, informing key clinical decisions such as diagnosis and treatment. The worldwide shortage of radiologists, however, restricts access to expert care and imposes heavy workloads, contributing to avoidable errors and delays in report delivery. While recent progress in automated report generation with vision-language models offer clear potential in ameliorating the situation, the path to real-world adoption has been stymied by the challenge of evaluating the clinical quality of AI-generated reports. In this study, we build a state-of-the-art report generation system for chest radiographs, $\textit{Flamingo-CXR}$, by fine-tuning a well-known vision-language foundation model on radiology data. To evaluate the quality of the AI-generated reports, a group of 16 certified radiologists provide detailed evaluations of AI-generated and human written reports for chest X-rays from an intensive care setting in the United States and an inpatient setting in India. At least one radiologist (out of two per case) preferred the AI report to the ground truth report in over 60$\%$ of cases for both datasets. Amongst the subset of AI-generated reports that contain errors, the most frequently cited reasons were related to the location and finding, whereas for human written reports, most mistakes were related to severity and finding. This disparity suggested potential complementarity between our AI system and human experts, prompting us to develop an assistive scenario in which Flamingo-CXR generates a first-draft report, which is subsequently revised by a clinician. This is the first demonstration of clinician-AI collaboration for report writing, and the resultant reports are assessed to be equivalent or preferred by at least one radiologist to reports written by experts alone in 80$\%$ of in-patient cases and 60$\%$ of intensive care cases.
Authors: Matthew J. Colbrook
Dynamic Mode Decomposition (DMD) is a popular data-driven analysis technique used to decompose complex, nonlinear systems into a set of modes, revealing underlying patterns and dynamics through spectral analysis. This review presents a comprehensive and pedagogical examination of DMD, emphasizing the role of Koopman operators in transforming complex nonlinear dynamics into a linear framework. A distinctive feature of this review is its focus on the relationship between DMD and the spectral properties of Koopman operators, with particular emphasis on the theory and practice of DMD algorithms for spectral computations. We explore the diverse "multiverse" of DMD methods, categorized into three main areas: linear regression-based methods, Galerkin approximations, and structure-preserving techniques. Each category is studied for its unique contributions and challenges, providing a detailed overview of significant algorithms and their applications as outlined in Table 1. We include a MATLAB package with examples and applications to enhance the practical understanding of these methods. This review serves as both a practical guide and a theoretical reference for various DMD methods, accessible to both experts and newcomers, and enabling readers to delve into their areas of interest in the expansive field of DMD.
Authors: Wanqiao Xu, Shi Dong, Xiuyuan Lu, Grace Lam, Zheng Wen, Benjamin Van Roy
Existing algorithms for reinforcement learning from human feedback (RLHF) can incentivize responses at odds with preferences because they are based on models that assume independence of irrelevant alternatives (IIA). The perverse incentives induced by IIA give rise to egregious behavior when innovating on query formats or learning algorithms.
Authors: Yushi Lan, Feitong Tan, Di Qiu, Qiangeng Xu, Kyle Genova, Zeng Huang, Sean Fanello, Rohit Pandey, Thomas Funkhouser, Chen Change Loy, Yinda Zhang
We present a novel framework for generating photorealistic 3D human head and subsequently manipulating and reposing them with remarkable flexibility. The proposed approach leverages an implicit function representation of 3D human heads, employing 3D Gaussians anchored on a parametric face model. To enhance representational capabilities and encode spatial information, we embed a lightweight tri-plane payload within each Gaussian rather than directly storing color and opacity. Additionally, we parameterize the Gaussians in a 2D UV space via a 3DMM, enabling effective utilization of the diffusion model for 3D head avatar generation. Our method facilitates the creation of diverse and realistic 3D human heads with fine-grained editing over facial features and expressions. Extensive experiments demonstrate the effectiveness of our method.
Authors: Brandon Theodorou, Shrusti Jain, Cao Xiao, Jimeng Sun
Generative models can produce synthetic patient records for analytical tasks when real data is unavailable or limited. However, current methods struggle with adhering to domain-specific knowledge and removing invalid data. We present ConSequence, an effective approach to integrating domain knowledge into sequential generative neural network outputs. Our rule-based formulation includes temporal aggregation and antecedent evaluation modules, ensured by an efficient matrix multiplication formulation, to satisfy hard and soft logical constraints across time steps. Existing constraint methods often fail to guarantee constraint satisfaction, lack the ability to handle temporal constraints, and hinder the learning and computational efficiency of the model. In contrast, our approach efficiently handles all types of constraints with guaranteed logical coherence. We demonstrate ConSequence's effectiveness in generating electronic health records, outperforming competitors in achieving complete temporal and spatial constraint satisfaction without compromising runtime performance or generative quality. Specifically, ConSequence successfully prevents all rule violations while improving the model quality in reducing its test perplexity by 5% and incurring less than a 13% slowdown in generation speed compared to an unconstrained model.
Authors: Xiang Li, Haoran Tang, Siyu Chen, Ziwei Wang, Anurag Maravi, Marcin Abram
In this paper, we explore the challenges inherent to Large Language Models (LLMs) like GPT-4, particularly their propensity for hallucinations, logic mistakes, and incorrect conclusions when tasked with answering complex questions. The capacity of LLMs to present erroneous answers in a coherent and semantically rigorous manner further complicates the detection of factual inaccuracies. This issue is especially pronounced in fields that require specialized expertise. Our work delves into these challenges, aiming to enhance the understanding and mitigation of such errors, thereby contributing to the improvement of LLM accuracy and reliability in scientific and other specialized domains. Our findings reveal a non-linear relationship between the context's relevancy and the answers' measured quality. In addition, we demonstrate that with the correct calibration, it is possible to automate the grading procedure -- a finding suggesting that, at least to some degree, the LLMs can be used to self-examine the quality of their own performance. Finally, we describe an experimental platform that can be seen as a proof-of-concept of the techniques described in this work.
Authors: Weilong Chai, DanDan Zheng, Jiajiong Cao, Zhiquan Chen, Changbao Wang, Chenguang Ma
Text-to-image diffusion models (SD) exhibit significant advancements while requiring extensive computational resources. Though many acceleration methods have been proposed, they suffer from generation quality degradation or extra training cost generalizing to new fine-tuned models. To address these limitations, we propose a novel and universal Stable-Diffusion (SD) acceleration module called SpeedUpNet(SUN). SUN can be directly plugged into various fine-tuned SD models without extra training. This technique utilizes cross-attention layers to learn the relative offsets in the generated image results between negative and positive prompts achieving classifier-free guidance distillation with negative prompts controllable, and introduces a Multi-Step Consistency (MSC) loss to ensure a harmonious balance between reducing inference steps and maintaining consistency in the generated output. Consequently, SUN significantly reduces the number of inference steps to just 4 steps and eliminates the need for classifier-free guidance. It leads to an overall speedup of more than 10 times for SD models compared to the state-of-the-art 25-step DPM-solver++, and offers two extra advantages: (1) classifier-free guidance distillation with controllable negative prompts and (2) seamless integration into various fine-tuned Stable-Diffusion models without training. The effectiveness of the SUN has been verified through extensive experimentation. Project Page: https://williechai.github.io/speedup-plugin-for-stable-diffusions.github.io
Authors: Jun Liu, Yiming Meng, Maxwell Fitzsimmons, Ruikun Zhou
We provide a systematic investigation of using physics-informed neural networks to compute Lyapunov functions. We encode Lyapunov conditions as a partial differential equation (PDE) and use this for training neural network Lyapunov functions. We analyze the analytical properties of the solutions to the Lyapunov and Zubov PDEs. In particular, we show that employing the Zubov equation in training neural Lyapunov functions can lead to approximate regions of attraction close to the true domain of attraction. We also examine approximation errors and the convergence of neural approximations to the unique solution of Zubov's equation. We then provide sufficient conditions for the learned neural Lyapunov functions that can be readily verified by satisfiability modulo theories (SMT) solvers, enabling formal verification of both local stability analysis and region-of-attraction estimates in the large. Through a number of nonlinear examples, ranging from low to high dimensions, we demonstrate that the proposed framework can outperform traditional sums-of-squares (SOS) Lyapunov functions obtained using semidefinite programming (SDP).
Authors: Jacob Eisenstein, Chirag Nagpal, Alekh Agarwal, Ahmad Beirami, Alex D'Amour, DJ Dvijotham, Adam Fisch, Katherine Heller, Stephen Pfohl, Deepak Ramachandran, Peter Shaw, Jonathan Berant
Reward models play a key role in aligning language model applications towards human preferences. However, this setup creates an incentive for the language model to exploit errors in the reward model to achieve high estimated reward, a phenomenon often termed \emph{reward hacking}. A natural mitigation is to train an ensemble of reward models, aggregating over model outputs to obtain a more robust reward estimate. We explore the application of reward ensembles to alignment at both training time (through reinforcement learning) and inference time (through reranking). First, we show that reward models are \emph{underspecified}: reward models that perform similarly in-distribution can yield very different rewards when used in alignment, due to distribution shift. Second, underspecification results in overoptimization, where alignment to one reward model does not improve reward as measured by another reward model trained on the same data. Third, overoptimization is mitigated by the use of reward ensembles, and ensembles that vary by their \emph{pretraining} seeds lead to better generalization than ensembles that differ only by their \emph{fine-tuning} seeds, with both outperforming individual reward models. However, even pretrain reward ensembles do not eliminate reward hacking: we show several qualitative reward hacking phenomena that are not mitigated by ensembling because all reward models in the ensemble exhibit similar error patterns.
Authors: Xiaobin Huang, Lei Song, Ke Xue, Chao Qian
Bayesian optimization (BO) is a sample-efficient method and has been widely used for optimizing expensive black-box functions. Recently, there has been a considerable interest in BO literature in optimizing functions that are affected by context variable in the environment, which is uncontrollable by decision makers. In this paper, we focus on the optimization of functions' expectations over continuous context variable, subject to an unknown distribution. To address this problem, we propose two algorithms that employ kernel density estimation to learn the probability density function (PDF) of continuous context variable online. The first algorithm is simpler, which directly optimizes the expectation under the estimated PDF. Considering that the estimated PDF may have high estimation error when the true distribution is complicated, we further propose the second algorithm that optimizes the distributionally robust objective. Theoretical results demonstrate that both algorithms have sub-linear Bayesian cumulative regret on the expectation objective. Furthermore, we conduct numerical experiments to empirically demonstrate the effectiveness of our algorithms.
Authors: Junfeng Long, Zirui Wang, Quanyi Li, Jiawei Gao, Liu Cao, Jiangmiao Pang
Robust locomotion control depends on accurate state estimations. However, the sensors of most legged robots can only provide partial and noisy observations, making the estimation particularly challenging, especially for external states like terrain frictions and elevation maps. Inspired by the classical Internal Model Control principle, we consider these external states as disturbances and introduce Hybrid Internal Model (HIM) to estimate them according to the response of the robot. The response, which we refer to as the hybrid internal embedding, contains the robot's explicit velocity and implicit stability representation, corresponding to two primary goals for locomotion tasks: explicitly tracking velocity and implicitly maintaining stability. We use contrastive learning to optimize the embedding to be close to the robot's successor state, in which the response is naturally embedded. HIM has several appealing benefits: It only needs the robot's proprioceptions, i.e., those from joint encoders and IMU as observations. It innovatively maintains consistent observations between simulation reference and reality that avoids information loss in mimicking learning. It exploits batch-level information that is more robust to noises and keeps better sample efficiency. It only requires 1 hour of training on an RTX 4090 to enable a quadruped robot to traverse any terrain under any disturbances. A wealth of real-world experiments demonstrates its agility, even in high-difficulty tasks and cases never occurred during the training process, revealing remarkable open-world generalizability.
Authors: Ziyi Chen, Xiaocong Yang, Jiacheng Lin, Chenkai Sun, Jie Huang, Kevin Chen-Chuan Chang
Speculative decoding enhances the efficiency of large language models (LLMs) by leveraging a draft model to draft for a larger target model to review. However, drafting in speculative decoding involves slow autoregressive generation and generating tokens of different importance with the same time allocation. These two inefficiencies lead to its suboptimal performance. To address this issue, we introduce Cascade Speculative Drafting (CS. Drafting), a novel approach that employs two types of cascades. The Vertical Cascade eliminates autoregressive generation from neural models. The Horizontal Cascade constitutes efficient time allocation in drafting with its optimality supported by our theoretical analysis. Combining both cascades, our CS. Drafting algorithm has achieved up to 72 percent additional speedup over speculative decoding in our experiments while keeping the same output distribution.
Authors: Jiankai Sun, Chuanyang Zheng, Enze Xie, Zhengying Liu, Ruihang Chu, Jianing Qiu, Jiaqi Xu, Mingyu Ding, Hongyang Li, Mengzhe Geng, Yue Wu, Wenhai Wang, Junsong Chen, Zhangyue Yin, Xiaozhe Ren, Jie Fu, Junxian He, Wu Yuan, Qi Liu, Xihui Liu, Yu Li, Hao Dong, Yu Cheng, Ming Zhang, Pheng Ann Heng, Jifeng Dai, Ping Luo, Jingdong Wang, Ji-Rong Wen, Xipeng Qiu, Yike Guo, Hui Xiong, Qun Liu, Zhenguo Li
Reasoning, a crucial ability for complex problem-solving, plays a pivotal role in various real-world settings such as negotiation, medical diagnosis, and criminal investigation. It serves as a fundamental methodology in the field of Artificial General Intelligence (AGI). With the ongoing development of foundation models, there is a growing interest in exploring their abilities in reasoning tasks. In this paper, we introduce seminal foundation models proposed or adaptable for reasoning, highlighting the latest advancements in various reasoning tasks, methods, and benchmarks. We then delve into the potential future directions behind the emergence of reasoning abilities within foundation models. We also discuss the relevance of multimodal learning, autonomous agents, and super alignment in the context of reasoning. By discussing these future research directions, we hope to inspire researchers in their exploration of this field, stimulate further advancements in reasoning with foundation models, and contribute to the development of AGI.
Authors: Anaelia Ovalle, Ninareh Mehrabi, Palash Goyal, Jwala Dhamala, Kai-Wei Chang, Richard Zemel, Aram Galstyan, Rahul Gupta
A large body of NLP research has documented the ways gender biases manifest and amplify within large language models (LLMs), though this research has predominantly operated within a gender binary-centric context. A growing body of work has identified the harmful limitations of this gender-exclusive framing; many LLMs cannot correctly and consistently refer to persons outside the gender binary, especially if they use neopronouns. While data scarcity has been identified as a possible culprit, the precise mechanisms through which it influences LLM misgendering remain underexplored. Our work addresses this gap by studying data scarcity's role in subword tokenization and, consequently, the formation of LLM word representations. We uncover how the Byte-Pair Encoding (BPE) tokenizer, a backbone for many popular LLMs, contributes to neopronoun misgendering through out-of-vocabulary behavior. We introduce pronoun tokenization parity (PTP), a novel approach to reduce LLM neopronoun misgendering by preserving a token's functional structure. We evaluate PTP's efficacy using pronoun consistency-based metrics and a novel syntax-based metric. Through several controlled experiments, finetuning LLMs with PTP improves neopronoun consistency from 14.5% to 58.4%, highlighting the significant role tokenization plays in LLM pronoun consistency.
Authors: Ioannis Anagnostides, Ioannis Panageas, Gabriele Farina, Tuomas Sandholm
Policy gradient methods enjoy strong practical performance in numerous tasks in reinforcement learning. Their theoretical understanding in multiagent settings, however, remains limited, especially beyond two-player competitive and potential Markov games. In this paper, we develop a new framework to characterize optimistic policy gradient methods in multi-player Markov games with a single controller. Specifically, under the further assumption that the game exhibits an equilibrium collapse, in that the marginals of coarse correlated equilibria (CCE) induce Nash equilibria (NE), we show convergence to stationary $\epsilon$-NE in $O(1/\epsilon^2)$ iterations, where $O(\cdot)$ suppresses polynomial factors in the natural parameters of the game. Such an equilibrium collapse is well-known to manifest itself in two-player zero-sum Markov games, but also occurs even in a class of multi-player Markov games with separable interactions, as established by recent work. As a result, we bypass known complexity barriers for computing stationary NE when either of our assumptions fails. Our approach relies on a natural generalization of the classical Minty property that we introduce, which we anticipate to have further applications beyond Markov games.
Authors: David Charatan, Sizhe Li, Andrea Tagliasacchi, Vincent Sitzmann
We introduce pixelSplat, a feed-forward model that learns to reconstruct 3D radiance fields parameterized by 3D Gaussian primitives from pairs of images. Our model features real-time and memory-efficient rendering for scalable training as well as fast 3D reconstruction at inference time. To overcome local minima inherent to sparse and locally supported representations, we predict a dense probability distribution over 3D and sample Gaussian means from that probability distribution. We make this sampling operation differentiable via a reparameterization trick, allowing us to back-propagate gradients through the Gaussian splatting representation. We benchmark our method on wide-baseline novel view synthesis on the real-world RealEstate10k and ACID datasets, where we outperform state-of-the-art light field transformers and accelerate rendering by 2.5 orders of magnitude while reconstructing an interpretable and editable 3D radiance field.
Authors: Federico Cassano, Luisa Li, Akul Sethi, Noah Shinn, Abby Brennan-Jones, Anton Lozhkov, Carolyn Jane Anderson, Arjun Guha
A significant amount of research is focused on developing and evaluating large language models for a variety of code synthesis tasks. These include synthesizing code from natural language instructions, synthesizing tests from code, and synthesizing explanations of code. In contrast, the behavior of instructional code editing with LLMs is understudied. These are tasks in which the model is instructed to update a block of code provided in a prompt. The editing instruction may ask for a feature to added or removed, describe a bug and ask for a fix, ask for a different kind of solution, or many other common code editing tasks.
We introduce a carefully crafted benchmark of code editing tasks and use it evaluate several cutting edge LLMs. Our evaluation exposes a significant gap between the capabilities of state-of-the-art open and closed models. For example, even GPT-3.5-Turbo is 8.8% better than the best open model at editing code.
We also introduce a new, carefully curated, permissively licensed training set of code edits coupled with natural language instructions. Using this training set, we show that we can fine-tune open Code LLMs to significantly improve their code editing capabilities.
Authors: Sukriti Jaitly, Tanay Shah, Ashish Shugani, Razik Singh Grewal
We present a study on the integration of Large Language Models (LLMs) in tabular data classification, emphasizing an efficient framework. Building upon existing work done in TabLLM (arXiv:2210.10723), we introduce three novel serialization techniques, including the standout LaTeX serialization method. This method significantly boosts the performance of LLMs in processing domain-specific datasets, Our method stands out for its memory efficiency and ability to fully utilize complex data structures. Through extensive experimentation, including various serialization approaches like feature combination and importance, we demonstrate our work's superiority in accuracy and efficiency over traditional models.
Authors: Ryan Campbell, Emma Guo, Evan Hu, Reya Vir, Ethan Hsiao
In-context learning (ICL) has revolutionized the capabilities of transformer models in NLP. In our project, we extend the understanding of the mechanisms underpinning ICL by exploring whether transformers can learn from sequential, non-textual function class data distributions. We introduce a novel sliding window sequential function class and employ toy-sized transformers with a GPT-2 architecture to conduct our experiments. Our analysis indicates that these models can indeed leverage ICL when trained on non-textual sequential function classes. Additionally, our experiments with randomized y-label sequences highlights that transformers retain some ICL capabilities even when the label associations are obfuscated. We provide evidence that transformers can reason with and understand sequentiality encoded within function classes, as reflected by the effective learning of our proposed tasks. Our results also show that the performance deteriorated with increasing randomness in the labels, though not to the extent one might expect, implying a potential robustness of learned sequentiality against label noise. Future research may want to look into how previous explanations of transformers, such as induction heads and task vectors, relate to sequentiality in ICL in these toy examples. Our investigation lays the groundwork for further research into how transformers process and perceive sequential data.
Authors: Pengchao Han, Shiqiang Wang, Yang Jiao, Jianwei Huang
While providing machine learning model as a service to process users' inference requests, online applications can periodically upgrade the model utilizing newly collected data. Federated learning (FL) is beneficial for enabling the training of models across distributed clients while keeping the data locally. However, existing work has overlooked the coexistence of model training and inference under clients' limited resources. This paper focuses on the joint optimization of model training and inference to maximize inference performance at clients. Such an optimization faces several challenges. The first challenge is to characterize the clients' inference performance when clients may partially participate in FL. To resolve this challenge, we introduce a new notion of age of model (AoM) to quantify client-side model freshness, based on which we use FL's global model convergence error as an approximate measure of inference performance. The second challenge is the tight coupling among clients' decisions, including participation probability in FL, model download probability, and service rates. Toward the challenges, we propose an online problem approximation to reduce the problem complexity and optimize the resources to balance the needs of model training and inference. Experimental results demonstrate that the proposed algorithm improves the average inference accuracy by up to 12%.
Authors: Weigang Lu, Ziyu Guan, Wei Zhao, Yaming Yang, Long Jin
Graph Neural Networks (GNNs) have become mainstream methods for solving the semi-supervised node classification problem. However, due to the uneven location distribution of labeled nodes in the graph, labeled nodes are only accessible to a small portion of unlabeled nodes, leading to the \emph{under-reaching} issue. In this study, we firstly reveal under-reaching by conducting an empirical investigation on various well-known graphs. Then, we demonstrate that under-reaching results in unsatisfactory distribution alignment between labeled and unlabeled nodes through systematic experimental analysis, significantly degrading GNNs' performance. To tackle under-reaching for GNNs, we propose an architecture-agnostic method dubbed NodeMixup. The fundamental idea is to (1) increase the reachability of labeled nodes by labeled-unlabeled pairs mixup, (2) leverage graph structures via fusing the neighbor connections of intra-class node pairs to improve performance gains of mixup, and (3) use neighbor label distribution similarity incorporating node degrees to determine sampling weights for node mixup. Extensive experiments demonstrate the efficacy of NodeMixup in assisting GNNs in handling under-reaching. The source code is available at \url{https://github.com/WeigangLu/NodeMixup}.
Authors: Junwu Chen, Philippe Schwaller
Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order connections like multi-center bonds and conjugated structures. To tackle this challenge, we introduce molecular hypergraphs and propose Molecular Hypergraph Neural Networks (MHNN) to predict the optoelectronic properties of organic semiconductors, where hyperedges represent conjugated structures. A general algorithm is designed for irregular high-order connections, which can efficiently operate on molecular hypergraphs with hyperedges of various orders. The results show that MHNN outperforms all baseline models on most tasks of OPV, OCELOTv1 and PCQM4Mv2 datasets. Notably, MHNN achieves this without any 3D geometric information, surpassing the baseline model that utilizes atom positions. Moreover, MHNN achieves better performance than pretrained GNNs under limited training data, underscoring its excellent data efficiency. This work provides a new strategy for more general molecular representations and property prediction tasks related to high-order connections.