Decoding Working-Memory Load During n-Back Task Performance from High Channel NIRS Data. (arXiv:2312.07546v1 [eess.SP])

Authors: Christian Kothe (1), Grant Hanada (1), Sean Mullen (1), Tim Mullen (1) ((1) Intheon, La Jolla, United States)

Near-infrared spectroscopy (NIRS) can measure neural activity through blood oxygenation changes in the brain in a wearable form factor, enabling unique applications for research in and outside the lab. NIRS has proven capable of measuring cognitive states such as mental workload, often using machine learning (ML) based brain-computer interfaces (BCIs). To date, NIRS research has largely relied on probes with under ten to several hundred channels, although recently a new class of wearable NIRS devices with thousands of channels has emerged. This poses unique challenges for ML classification, as NIRS is typically limited by few training trials which results in severely under-determined estimation problems. So far, it is not well understood how such high-resolution data is best leveraged in practical BCIs and whether state-of-the-art (SotA) or better performance can be achieved. To address these questions, we propose an ML strategy to classify working-memory load that relies on spatio-temporal regularization and transfer learning from other subjects in a combination that has not been used in previous NIRS BCIs. The approach can be interpreted as an end-to-end generalized linear model and allows for a high degree of interpretability using channel-level or cortical imaging approaches. We show that using the proposed methodology, it is possible to achieve SotA decoding performance with high-resolution NIRS data. We also replicated several SotA approaches on our dataset of 43 participants wearing a 3198 dual-channel NIRS device while performing the n-Back task and show that these existing methods struggle in the high-channel regime and are largely outperformed by the proposed method. Our approach helps establish high-channel NIRS devices as a viable platform for SotA BCI and opens new applications using this class of headset while also enabling high-resolution model imaging and interpretation.

Active Inference and Intentional Behaviour. (arXiv:2312.07547v1 [q-bio.NC])

Authors: Karl J. Friston, Tommaso Salvatori, Takuya Isomura, Alexander Tschantz, Alex Kiefer, Tim Verbelen, Magnus Koudahl, Aswin Paul, Thomas Parr, Adeel Razi, Brett Kagan, Christopher L. Buckley, Maxwell J. D. Ramstead

Recent advances in theoretical biology suggest that basal cognition and sentient behaviour are emergent properties of in vitro cell cultures and neuronal networks, respectively. Such neuronal networks spontaneously learn structured behaviours in the absence of reward or reinforcement. In this paper, we characterise this kind of self-organisation through the lens of the free energy principle, i.e., as self-evidencing. We do this by first discussing the definitions of reactive and sentient behaviour in the setting of active inference, which describes the behaviour of agents that model the consequences of their actions. We then introduce a formal account of intentional behaviour, that describes agents as driven by a preferred endpoint or goal in latent state-spaces. We then investigate these forms of (reactive, sentient, and intentional) behaviour using simulations. First, we simulate the aforementioned in vitro experiments, in which neuronal cultures spontaneously learn to play Pong, by implementing nested, free energy minimising processes. The simulations are then used to deconstruct the ensuing predictive behaviour, leading to the distinction between merely reactive, sentient, and intentional behaviour, with the latter formalised in terms of inductive planning. This distinction is further studied using simple machine learning benchmarks (navigation in a grid world and the Tower of Hanoi problem), that show how quickly and efficiently adaptive behaviour emerges under an inductive form of active inference.

Understanding (Un)Intended Memorization in Text-to-Image Generative Models. (arXiv:2312.07550v1 [cs.CV])

Authors: Ali Naseh, Jaechul Roh, Amir Houmansadr

Multimodal machine learning, especially text-to-image models like Stable Diffusion and DALL-E 3, has gained significance for transforming text into detailed images.

Despite their growing use and remarkable generative capabilities, there is a pressing need for a detailed examination of these models' behavior, particularly with respect to memorization. Historically, memorization in machine learning has been context-dependent, with diverse definitions emerging from classification tasks to complex models like Large Language Models (LLMs) and Diffusion models. Yet, a definitive concept of memorization that aligns with the intricacies of text-to-image synthesis remains elusive. This understanding is vital as memorization poses privacy risks yet is essential for meeting user expectations, especially when generating representations of underrepresented entities. In this paper, we introduce a specialized definition of memorization tailored to text-to-image models, categorizing it into three distinct types according to user expectations. We closely examine the subtle distinctions between intended and unintended memorization, emphasizing the importance of balancing user privacy with the generative quality of the model outputs. Using the Stable Diffusion model, we offer examples to validate our memorization definitions and clarify their application.

Large Language Models for Intent-Driven Session Recommendations. (arXiv:2312.07552v1 [cs.CL])

Authors: Zhu Sun, Hongyang Liu, Xinghua Qu, Kaidong Feng, Yan Wang, Yew-Soon Ong

Intent-aware session recommendation (ISR) is pivotal in discerning user intents within sessions for precise predictions. Traditional approaches, however, face limitations due to their presumption of a uniform number of intents across all sessions. This assumption overlooks the dynamic nature of user sessions, where the number and type of intentions can significantly vary. In addition, these methods typically operate in latent spaces, thus hinder the model's transparency.Addressing these challenges, we introduce a novel ISR approach, utilizing the advanced reasoning capabilities of large language models (LLMs). First, this approach begins by generating an initial prompt that guides LLMs to predict the next item in a session, based on the varied intents manifested in user sessions. Then, to refine this process, we introduce an innovative prompt optimization mechanism that iteratively self-reflects and adjusts prompts. Furthermore, our prompt selection module, built upon the LLMs' broad adaptability, swiftly selects the most optimized prompts across diverse domains. This new paradigm empowers LLMs to discern diverse user intents at a semantic level, leading to more accurate and interpretable session recommendations. Our extensive experiments on three real-world datasets demonstrate the effectiveness of our method, marking a significant advancement in ISR systems.

PaperQA: Retrieval-Augmented Generative Agent for Scientific Research. (arXiv:2312.07559v1 [cs.CL])

Authors: Jakub Lála, Odhran O'Donoghue, Aleksandar Shtedritski, Sam Cox, Samuel G. Rodriques, Andrew D. White

Large Language Models (LLMs) generalize well across language tasks, but suffer from hallucinations and uninterpretability, making it difficult to assess their accuracy without ground-truth. Retrieval-Augmented Generation (RAG) models have been proposed to reduce hallucinations and provide provenance for how an answer was generated. Applying such models to the scientific literature may enable large-scale, systematic processing of scientific knowledge. We present PaperQA, a RAG agent for answering questions over the scientific literature. PaperQA is an agent that performs information retrieval across full-text scientific articles, assesses the relevance of sources and passages, and uses RAG to provide answers. Viewing this agent as a question answering model, we find it exceeds performance of existing LLMs and LLM agents on current science QA benchmarks. To push the field closer to how humans perform research on scientific literature, we also introduce LitQA, a more complex benchmark that requires retrieval and synthesis of information from full-text scientific papers across the literature. Finally, we demonstrate PaperQA's matches expert human researchers on LitQA.

AI-driven Structure Detection and Information Extraction from Historical Cadastral Maps (Early 19th Century Franciscean Cadastre in the Province of Styria) and Current High-resolution Satellite and Aerial Imagery for Remote Sensing. (arXiv:2312.07560v1 [cs.CV])

Authors: Wolfgang Göderle, Christian Macher, Katrin Mauthner, Oliver Pimas, Fabian Rampetsreiter

Cadastres from the 19th century are a complex as well as rich source for historians and archaeologists, whose use presents them with great challenges. For archaeological and historical remote sensing, we have trained several Deep Learning models, CNNs as well as Vision Transformers, to extract large-scale data from this knowledge representation. We present the principle results of our work here and we present a the demonstrator of our browser-based tool that allows researchers and public stakeholders to quickly identify spots that featured buildings in the 19th century Franciscean Cadastre. The tool not only supports scholars and fellow researchers in building a better understanding of the settlement history of the region of Styria, it also helps public administration and fellow citizens to swiftly identify areas of heightened sensibility with regard to the cultural heritage of the region.

Annotating sleep states in children from wrist-worn accelerometer data using Machine Learning. (arXiv:2312.07561v1 [eess.SP])

Authors: Ashwin Ram, Sundar Sripada V. S., Shuvam Keshari, Zizhe Jiang

Sleep detection and annotation are crucial for researchers to understand sleep patterns, especially in children. With modern wrist-worn watches comprising built-in accelerometers, sleep logs can be collected. However, the annotation of these logs into distinct sleep events: onset and wakeup, proves to be challenging. These annotations must be automated, precise, and scalable. We propose to model the accelerometer data using different machine learning (ML) techniques such as support vectors, boosting, ensemble methods, and more complex approaches involving LSTMs and Region-based CNNs. Later, we aim to evaluate these approaches using the Event Detection Average Precision (EDAP) score (similar to the IOU metric) to eventually compare the predictive power and model performance.

Investigating YOLO Models Towards Outdoor Obstacle Detection For Visually Impaired People. (arXiv:2312.07571v1 [cs.CV])

Authors: Chenhao He, Pramit Saha

The utilization of deep learning-based object detection is an effective approach to assist visually impaired individuals in avoiding obstacles. In this paper, we implemented seven different YOLO object detection models \textit{viz}., YOLO-NAS (small, medium, large), YOLOv8, YOLOv7, YOLOv6, and YOLOv5 and performed comprehensive evaluation with carefully tuned hyperparameters, to analyze how these models performed on images containing common daily-life objects presented on roads and sidewalks. After a systematic investigation, YOLOv8 was found to be the best model, which reached a precision of $80\%$ and a recall of $68.2\%$ on a well-known Obstacle Dataset which includes images from VOC dataset, COCO dataset, and TT100K dataset along with images collected by the researchers in the field. Despite being the latest model and demonstrating better performance in many other applications, YOLO-NAS was found to be suboptimal for the obstacle detection task.

Benchmarking Distribution Shift in Tabular Data with TableShift. (arXiv:2312.07577v1 [cs.LG])

Authors: Josh Gardner, Zoran Popovic, Ludwig Schmidt

Robustness to distribution shift has become a growing concern for text and image models as they transition from research subjects to deployment in the real world. However, high-quality benchmarks for distribution shift in tabular machine learning tasks are still lacking despite the widespread real-world use of tabular data and differences in the models used for tabular data in comparison to text and images. As a consequence, the robustness of tabular models to distribution shift is poorly understood. To address this issue, we introduce TableShift, a distribution shift benchmark for tabular data. TableShift contains 15 binary classification tasks in total, each with an associated shift, and includes a diverse set of data sources, prediction targets, and distribution shifts. The benchmark covers domains including finance, education, public policy, healthcare, and civic participation, and is accessible using only a few lines of Python code via the TableShift API. We conduct a large-scale study comparing several state-of-the-art tabular data models alongside robust learning and domain generalization methods on the benchmark tasks. Our study demonstrates (1) a linear trend between in-distribution (ID) and out-of-distribution (OOD) accuracy; (2) domain robustness methods can reduce shift gaps but at the cost of reduced ID accuracy; (3) a strong relationship between shift gap (difference between ID and OOD performance) and shifts in the label distribution.

The benchmark data, Python package, model implementations, and more information about TableShift are available at https://github.com/mlfoundations/tableshift and https://tableshift.org .

COVID-19 Detection Using Slices Processing Techniques and a Modified Xception Classifier from Computed Tomography Images. (arXiv:2312.07580v1 [eess.IV])

Authors: Kenan Morani

This paper extends our previous method for COVID-19 diagnosis, proposing an enhanced solution for detecting COVID-19 from computed tomography (CT) images. To decrease model misclassifications, two key steps of image processing were employed. Firstly, the uppermost and lowermost slices were removed, preserving sixty percent of each patient's slices. Secondly, all slices underwent manual cropping to emphasize the lung areas. Subsequently, resized CT scans (224 by 224) were input into an Xception transfer learning model. Leveraging Xception's architecture and pre-trained weights, the modified model achieved binary classification. Promising results on the COV19-CT database showcased higher validation accuracy and macro F1 score at both the slice and patient levels compared to our previous solution and alternatives on the same dataset.

Classification with Partially Private Features. (arXiv:2312.07583v1 [cs.LG])

Authors: Zeyu Shen, Anilesh Krishnaswamy, Janardhan Kulkarni, Kamesh Munagala

In this paper, we consider differentially private classification when some features are sensitive, while the rest of the features and the label are not. We adapt the definition of differential privacy naturally to this setting. Our main contribution is a novel adaptation of AdaBoost that is not only provably differentially private, but also significantly outperforms a natural benchmark that assumes the entire data of the individual is sensitive in the experiments. As a surprising observation, we show that boosting randomly generated classifiers suffices to achieve high accuracy. Our approach easily adapts to the classical setting where all the features are sensitive, providing an alternate algorithm for differentially private linear classification with a much simpler privacy proof and comparable or higher accuracy than differentially private logistic regression on real-world datasets.

Characteristic Guidance: Non-linear Correction for DDPM at Large Guidance Scale. (arXiv:2312.07586v1 [cs.CV])

Authors: Candi Zheng, Yuan Lan

Popular guidance for denoising diffusion probabilistic model (DDPM) linearly combines distinct conditional models together to provide enhanced control over samples. However, this approach overlooks nonlinear effects that become significant when guidance scale is large. To address this issue, we propose characteristic guidance, a novel method that provides non-linear correction for classifier-free guided DDPMs. Such correction forces the guided DDPMs to respect the Fokker-Planck equation of their underlying diffusion process, in a way that is first-principle, training-free, derivative-free, and compatible with existing sampling methods. Experiments show that characteristic guidance is robust to various applications, offers enhanced control over sample generation, suppresses color and exposure issues even for latent space sampling, and can handle physics problems such as the phase transitions.

Contrastive News and Social Media Linking using BERT for Articles and Tweets across Dual Platforms. (arXiv:2312.07599v1 [cs.CL])

Authors: Jan Piotrowski, Marek Wachnicki, Mateusz Perlik, Jakub Podolak, Grzegorz Rucki, Michał Brzozowski, Paweł Olejnik, Julian Kozłowski, Tomasz Nocoń, Jakub Kozieł, Stanisław Giziński, Piotr Sankowski

X (formerly Twitter) has evolved into a contemporary agora, offering a platform for individuals to express opinions and viewpoints on current events. The majority of the topics discussed on Twitter are directly related to ongoing events, making it an important source for monitoring public discourse. However, linking tweets to specific news presents a significant challenge due to their concise and informal nature. Previous approaches, including topic models, graph-based models, and supervised classifiers, have fallen short in effectively capturing the unique characteristics of tweets and articles.

Inspired by the success of the CLIP model in computer vision, which employs contrastive learning to model similarities between images and captions, this paper introduces a contrastive learning approach for training a representation space where linked articles and tweets exhibit proximity. We present our contrastive learning approach, CATBERT (Contrastive Articles Tweets BERT), leveraging pre-trained BERT models. The model is trained and tested on a dataset containing manually labeled English and Polish tweets and articles related to the Russian-Ukrainian war. We evaluate CATBERT's performance against traditional approaches like LDA, and the novel method based on OpenAI embeddings, which has not been previously applied to this task. Our findings indicate that CATBERT demonstrates superior performance in associating tweets with relevant news articles. Furthermore, we demonstrate the performance of the models when applied to finding the main topic -- represented by an article -- of the whole cascade of tweets. In this new task, we report the performance of the different models in dependence on the cascade size.

Non-contact Multimodal Indoor Human Monitoring Systems: A Survey. (arXiv:2312.07601v1 [eess.SP])

Authors: Le Ngu Nguyen, Praneeth Susarla, Anirban Mukherjee, Manuel Lage Cañellas, Constantino Álvarez Casado, Xiaoting Wu, Olli~Silvén, Dinesh Babu Jayagopi, Miguel Bordallo López

Indoor human monitoring systems leverage a wide range of sensors, including cameras, radio devices, and inertial measurement units, to collect extensive data from users and the environment. These sensors contribute diverse data modalities, such as video feeds from cameras, received signal strength indicators and channel state information from WiFi devices, and three-axis acceleration data from inertial measurement units. In this context, we present a comprehensive survey of multimodal approaches for indoor human monitoring systems, with a specific focus on their relevance in elderly care. Our survey primarily highlights non-contact technologies, particularly cameras and radio devices, as key components in the development of indoor human monitoring systems. Throughout this article, we explore well-established techniques for extracting features from multimodal data sources. Our exploration extends to methodologies for fusing these features and harnessing multiple modalities to improve the accuracy and robustness of machine learning models. Furthermore, we conduct comparative analysis across different data modalities in diverse human monitoring tasks and undertake a comprehensive examination of existing multimodal datasets. This extensive survey not only highlights the significance of indoor human monitoring systems but also affirms their versatile applications. In particular, we emphasize their critical role in enhancing the quality of elderly care, offering valuable insights into the development of non-contact monitoring solutions applicable to the needs of aging populations.

IndoorGNN: A Graph Neural Network based approach for Indoor Localization using WiFi RSSI. (arXiv:2312.07609v1 [eess.SP])

Authors: Rahul Vishwakarma, Rucha Bhalchandra Joshi, Subhankar Mishra

Indoor localization is the process of determining the location of a person or object inside a building. Potential usage of indoor localization includes navigation, personalization, safety and security, and asset tracking. Commonly used technologies for indoor localization include WiFi, Bluetooth, RFID, and Ultra-wideband. Among these, WiFi's Received Signal Strength Indicator (RSSI)-based localization is preferred because of widely available WiFi Access Points (APs). We have two main contributions. First, we develop our method, 'IndoorGNN' which involves using a Graph Neural Network (GNN) based algorithm in a supervised manner to classify a specific location into a particular region based on the RSSI values collected at that location. Most of the ML algorithms that perform this classification require a large number of labeled data points (RSSI vectors with location information). Collecting such data points is a labor-intensive and time-consuming task. To overcome this challenge, as our second contribution, we demonstrate the performance of IndoorGNN on the restricted dataset. It shows a comparable prediction accuracy to that of the complete dataset. We performed experiments on the UJIIndoorLoc and MNAV datasets, which are real-world standard indoor localization datasets. Our experiments show that IndoorGNN gives better location prediction accuracies when compared with state-of-the-art existing conventional as well as GNN-based methods for this same task. It continues to outperform these algorithms even with restricted datasets. It is noteworthy that its performance does not decrease a lot with a decrease in the number of available data points. Our method can be utilized for navigation and wayfinding in complex indoor environments, asset tracking and building management, enhancing mobile applications with location-based services, and improving safety and security during emergencies.

Optimizing Likelihood-free Inference using Self-supervised Neural Symmetry Embeddings. (arXiv:2312.07615v1 [cs.LG])

Authors: Deep Chatterjee, Philip C. Harris, Maanas Goel, Malina Desai, Michael W. Coughlin, Erik Katsavounidis

Likelihood-free inference is quickly emerging as a powerful tool to perform fast/effective parameter estimation. We demonstrate a technique of optimizing likelihood-free inference to make it even faster by marginalizing symmetries in a physical problem. In this approach, physical symmetries, for example, time-translation are learned using joint-embedding via self-supervised learning with symmetry data augmentations. Subsequently, parameter inference is performed using a normalizing flow where the embedding network is used to summarize the data before conditioning the parameters. We present this approach on two simple physical problems and we show faster convergence in a smaller number of parameters compared to a normalizing flow that does not use a pre-trained symmetry-informed representation.

Adaptive Proximal Policy Optimization with Upper Confidence Bound. (arXiv:2312.07624v1 [cs.LG])

Authors: Ziqi Zhang, Jingzehua Xu, Zifeng Zhuang, Jinxin Liu, Donglin wang

Trust Region Policy Optimization (TRPO) attractively optimizes the policy while constraining the update of the new policy within a trust region, ensuring the stability and monotonic optimization. Building on the theoretical guarantees of trust region optimization, Proximal Policy Optimization (PPO) successfully enhances the algorithm's sample efficiency and reduces deployment complexity by confining the update of the new and old policies within a surrogate trust region. However, this approach is limited by the fixed setting of surrogate trust region and is not sufficiently adaptive, because there is no theoretical proof that the optimal clipping bound remains consistent throughout the entire training process, truncating the ratio of the new and old policies within surrogate trust region can ensure that the algorithm achieves its best performance, therefore, exploring and researching a dynamic clip bound for improving PPO's performance can be quite beneficial. To design an adaptive clipped trust region and explore the dynamic clip bound's impact on the performance of PPO, we introduce an adaptive PPO-CLIP (Adaptive-PPO) method that dynamically explores and exploits the clip bound using a bandit during the online training process. Furthermore, ample experiments will initially demonstrate that our Adaptive-PPO exhibits sample efficiency and performance compared to PPO-CLIP.

Multimodal Sentiment Analysis: Perceived vs Induced Sentiments. (arXiv:2312.07627v1 [cs.CV])

Authors: Aditi Aggarwal, Deepika Varshney, Saurabh Patel

Social media has created a global network where people can easily access and exchange vast information. This information gives rise to a variety of opinions, reflecting both positive and negative viewpoints. GIFs stand out as a multimedia format offering a visually engaging way for users to communicate. In this research, we propose a multimodal framework that integrates visual and textual features to predict the GIF sentiment. It also incorporates attributes including face emotion detection and OCR generated captions to capture the semantic aspects of the GIF. The developed classifier achieves an accuracy of 82.7% on Twitter GIFs, which is an improvement over state-of-the-art models. Moreover, we have based our research on the ReactionGIF dataset, analysing the variance in sentiment perceived by the author and sentiment induced in the reader

SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction. (arXiv:2312.07633v1 [cs.LG])

Authors: Andac Demir, Francis Prael III, Bulent Kiziltan

In this study, we present a novel computational method for generating molecular fingerprints using multiparameter persistent homology (MPPH). This technique holds considerable significance for drug discovery and materials science, where precise molecular property prediction is vital. By integrating SE(3)-invariance with Vietoris-Rips persistent homology, we effectively capture the three-dimensional representations of molecular chirality. This non-superimposable mirror image property directly influences the molecular interactions, serving as an essential factor in molecular property prediction. We explore the underlying topologies and patterns in molecular structures by applying Vietoris-Rips persistent homology across varying scales and parameters such as atomic weight, partial charge, bond type, and chirality. Our method's efficacy can be improved by incorporating additional parameters such as aromaticity, orbital hybridization, bond polarity, conjugated systems, as well as bond and torsion angles. Additionally, we leverage Stochastic Gradient Langevin Boosting in a Bayesian ensemble of GBDTs to obtain aleatoric and epistemic uncertainty estimates for gradient boosting models. With these uncertainty estimates, we prioritize high-uncertainty samples for active learning and model fine-tuning, benefiting scenarios where data labeling is costly or time consuming. Compared to conventional GNNs which usually suffer from oversmoothing and oversquashing, MPPH provides a more comprehensive and interpretable characterization of molecular data topology. We substantiate our approach with theoretical stability guarantees and demonstrate its superior performance over existing state-of-the-art methods in predicting molecular properties through extensive evaluations on the MoleculeNet benchmark datasets.

Go beyond End-to-End Training: Boosting Greedy Local Learning with Context Supply. (arXiv:2312.07636v1 [cs.LG])

Authors: Chengting Yu, Fengzhao Zhang, Hanzhi Ma, Aili Wang, Erping Li

Traditional end-to-end (E2E) training of deep networks necessitates storing intermediate activations for back-propagation, resulting in a large memory footprint on GPUs and restricted model parallelization. As an alternative, greedy local learning partitions the network into gradient-isolated modules and trains supervisely based on local preliminary losses, thereby providing asynchronous and parallel training methods that substantially reduce memory cost. However, empirical experiments reveal that as the number of segmentations of the gradient-isolated module increases, the performance of the local learning scheme degrades substantially, severely limiting its expansibility. To avoid this issue, we theoretically analyze the greedy local learning from the standpoint of information theory and propose a ContSup scheme, which incorporates context supply between isolated modules to compensate for information loss. Experiments on benchmark datasets (i.e. CIFAR, SVHN, STL-10) achieve SOTA results and indicate that our proposed method can significantly improve the performance of greedy local learning with minimal memory and computational overhead, allowing for the boost of the number of isolated modules. Our codes are available at https://github.com/Tab-ct/ContSup.

CLIP as RNN: Segment Countless Visual Concepts without Training Endeavor. (arXiv:2312.07661v1 [cs.CV])

Authors: Shuyang Sun, Runjia Li, Philip Torr, Xiuye Gu, Siyang Li

Existing open-vocabulary image segmentation methods require a fine-tuning step on mask annotations and/or image-text datasets. Mask labels are labor-intensive, which limits the number of categories in segmentation datasets. As a result, the open-vocabulary capacity of pre-trained VLMs is severely reduced after fine-tuning. However, without fine-tuning, VLMs trained under weak image-text supervision tend to make suboptimal mask predictions when there are text queries referring to non-existing concepts in the image. To alleviate these issues, we introduce a novel recurrent framework that progressively filters out irrelevant texts and enhances mask quality without training efforts. The recurrent unit is a two-stage segmenter built upon a VLM with frozen weights. Thus, our model retains the VLM's broad vocabulary space and strengthens its segmentation capability. Experimental results show that our method outperforms not only the training-free counterparts, but also those fine-tuned with millions of additional data samples, and sets new state-of-the-art records for both zero-shot semantic and referring image segmentation tasks. Specifically, we improve the current record by 28.8, 16.0, and 6.9 mIoU on Pascal VOC, COCO Object, and Pascal Context.

Reacting like Humans: Incorporating Intrinsic Human Behaviors into NAO through Sound-Based Reactions for Enhanced Sociability. (arXiv:2312.07671v1 [cs.RO])

Authors: Ali Ghadami, Mohammadreza Taghimohammadi, Mohammad Mohammadzadeh, Mohammad Hosseinipour, Alireza Taheri

Robots' acceptability among humans and their sociability can be significantly enhanced by incorporating human-like reactions. Humans can react to environmental events very quickly and without thinking. An instance where humans display natural reactions is when they encounter a sudden and loud sound that startles or frightens them. During such moments, individuals may instinctively move their hands, turn toward the origin of the sound, and try to determine the event's cause. This inherent behavior motivated us to explore this less-studied part of social robotics. In this work, a multi-modal system composed of an action generator, sound classifier, and YOLO object detector was designed to sense the environment and, in the presence of sudden loud sounds, show natural human fear reactions, and finally, locate the fear-causing sound source in the environment. These unique and valid generated motions and inferences could imitate intrinsic human reactions and enhance the sociability of robots. For motion generation, a model based on LSTM and MDN networks was proposed to synthesize various motions. Also, in the case of sound detection, a transfer learning model was preferred that used the spectrogram of sound signals as its input. After developing individual models for sound detection, motion generation, and image recognition, they were integrated into a comprehensive fear module that was implemented on the NAO robot. Finally, the fear module was tested in practical application and two groups of experts and non-experts filled out a questionnaire to evaluate the performance of the robot. Given our promising results, this preliminary exploratory research provides a fresh perspective on social robotics and could be a starting point for modeling intrinsic human behaviors and emotions in robots.

Bayesian Online Learning for Consensus Prediction. (arXiv:2312.07679v1 [cs.LG])

Authors: Sam Showalter, Alex Boyd, Padhraic Smyth, Mark Steyvers

Given a pre-trained classifier and multiple human experts, we investigate the task of online classification where model predictions are provided for free but querying humans incurs a cost. In this practical but under-explored setting, oracle ground truth is not available. Instead, the prediction target is defined as the consensus vote of all experts. Given that querying full consensus can be costly, we propose a general framework for online Bayesian consensus estimation, leveraging properties of the multivariate hypergeometric distribution. Based on this framework, we propose a family of methods that dynamically estimate expert consensus from partial feedback by producing a posterior over expert and model beliefs. Analyzing this posterior induces an interpretable trade-off between querying cost and classification performance. We demonstrate the efficacy of our framework against a variety of baselines on CIFAR-10H and ImageNet-16H, two large-scale crowdsourced datasets.

I Open at the Close: A Deep Reinforcement Learning Evaluation of Open Streets Initiatives. (arXiv:2312.07680v1 [cs.LG])

Authors: R. Teal Witter, Lucas Rosenblatt

The open streets initiative "opens" streets to pedestrians and bicyclists by closing them to cars and trucks. The initiative, adopted by many cities across North America, increases community space in urban environments. But could open streets also make cities safer and less congested? We study this question by framing the choice of which streets to open as a reinforcement learning problem. In order to simulate the impact of opening streets, we first compare models for predicting vehicle collisions given network and temporal data. We find that a recurrent graph neural network, leveraging the graph structure and the short-term temporal dependence of the data, gives the best predictive performance. Then, with the ability to simulate collisions and traffic, we frame a reinforcement learning problem to find which streets to open. We compare the streets in the NYC Open Streets program to those proposed by a Q-learning algorithm. We find that the streets proposed by the Q-learning algorithm have reliably better outcomes, while streets in the program have similar outcomes to randomly selected streets. We present our work as a step toward principally choosing which streets to open for safer and less congested cities. All our code and data are available on Github.

An Online, Adaptive and Unsupervised Regression Framework with Drift Detection for Label Scarcity Contexts. (arXiv:2312.07682v1 [cs.LG])

Authors: Rene Richard, Nabil Belacel

In scenarios where obtaining real-time labels proves challenging, conventional approaches may result in sub-optimal performance. This paper presents an optimal strategy for streaming contexts with limited labeled data, introducing an adaptive technique for unsupervised regression. The proposed method leverages a sparse set of initial labels and introduces an innovative drift detection mechanism to enable dynamic model adaptations in response to evolving patterns in the data. To enhance adaptability, we integrate the ADWIN (ADaptive WINdowing) algorithm with error generalization based on Root Mean Square Error (RMSE). ADWIN facilitates real-time drift detection, while RMSE provides a robust measure of model prediction accuracy. This combination enables our multivariate method to effectively navigate the challenges of streaming data, continuously adapting to changing patterns while maintaining a high level of predictive precision. Finally, we evaluate the performance of our multivariate method across various public datasets, comparing it to non-adapting baselines. Through comprehensive assessments, we demonstrate the superior efficacy of our adaptive regression technique for tasks where obtaining labels in real-time is a significant challenge. The results underscore the method's capacity to outperform traditional approaches and highlight its potential in scenarios characterized by label scarcity and evolving data patterns.

A Perspective of Q-value Estimation on Offline-to-Online Reinforcement Learning. (arXiv:2312.07685v1 [cs.LG])

Authors: Yinmin Zhang, Jie Liu, Chuming Li, Yazhe Niu, Yaodong Yang, Yu Liu, Wanli Ouyang

Offline-to-online Reinforcement Learning (O2O RL) aims to improve the performance of offline pretrained policy using only a few online samples. Built on offline RL algorithms, most O2O methods focus on the balance between RL objective and pessimism, or the utilization of offline and online samples. In this paper, from a novel perspective, we systematically study the challenges that remain in O2O RL and identify that the reason behind the slow improvement of the performance and the instability of online finetuning lies in the inaccurate Q-value estimation inherited from offline pretraining. Specifically, we demonstrate that the estimation bias and the inaccurate rank of Q-value cause a misleading signal for the policy update, making the standard offline RL algorithms, such as CQL and TD3-BC, ineffective in the online finetuning. Based on this observation, we address the problem of Q-value estimation by two techniques: (1) perturbed value update and (2) increased frequency of Q-value updates. The first technique smooths out biased Q-value estimation with sharp peaks, preventing early-stage policy exploitation of sub-optimal actions. The second one alleviates the estimation bias inherited from offline pretraining by accelerating learning. Extensive experiments on the MuJoco and Adroit environments demonstrate that the proposed method, named SO2, significantly alleviates Q-value estimation issues, and consistently improves the performance against the state-of-the-art methods by up to 83.1%.

GP+: A Python Library for Kernel-based learning via Gaussian Processes. (arXiv:2312.07694v1 [cs.LG])

Authors: Amin Yousefpour, Zahra Zanjani Foumani, Mehdi Shishehbor, Carlos Mora, Ramin Bostanabad

In this paper we introduce GP+, an open-source library for kernel-based learning via Gaussian processes (GPs) which are powerful statistical models that are completely characterized by their parametric covariance and mean functions. GP+ is built on PyTorch and provides a user-friendly and object-oriented tool for probabilistic learning and inference. As we demonstrate with a host of examples, GP+ has a few unique advantages over other GP modeling libraries. We achieve these advantages primarily by integrating nonlinear manifold learning techniques with GPs' covariance and mean functions. As part of introducing GP+, in this paper we also make methodological contributions that (1) enable probabilistic data fusion and inverse parameter estimation, and (2) equip GPs with parsimonious parametric mean functions which span mixed feature spaces that have both categorical and quantitative variables. We demonstrate the impact of these contributions in the context of Bayesian optimization, multi-fidelity modeling, sensitivity analysis, and calibration of computer models.

Machine Learning and Citizen Science Approaches for Monitoring the Changing Environment. (arXiv:2312.07698v1 [cs.LG])

Authors: Sulong Zhou

This dissertation will combine new tools and methodologies to answer pressing questions regarding inundation area and hurricane events in complex, heterogeneous changing environments. In addition to remote sensing approaches, citizen science and machine learning are both emerging fields that harness advancing technology to answer environmental management and disaster response questions.

Brain-optimized inference improves reconstructions of fMRI brain activity. (arXiv:2312.07705v1 [q-bio.NC])

Authors: Reese Kneeland, Jordyn Ojeda, Ghislain St-Yves, Thomas Naselaris

The release of large datasets and developments in AI have led to dramatic improvements in decoding methods that reconstruct seen images from human brain activity. We evaluate the prospect of further improving recent decoding methods by optimizing for consistency between reconstructions and brain activity during inference. We sample seed reconstructions from a base decoding method, then iteratively refine these reconstructions using a brain-optimized encoding model that maps images to brain activity. At each iteration, we sample a small library of images from an image distribution (a diffusion model) conditioned on a seed reconstruction from the previous iteration. We select those that best approximate the measured brain activity when passed through our encoding model, and use these images for structural guidance during the generation of the small library in the next iteration. We reduce the stochasticity of the image distribution at each iteration, and stop when a criterion on the "width" of the image distribution is met. We show that when this process is applied to recent decoding methods, it outperforms the base decoding method as measured by human raters, a variety of image feature metrics, and alignment to brain activity. These results demonstrate that reconstruction quality can be significantly improved by explicitly aligning decoding distributions to brain activity distributions, even when the seed reconstruction is output from a state-of-the-art decoding algorithm. Interestingly, the rate of refinement varies systematically across visual cortex, with earlier visual areas generally converging more slowly and preferring narrower image distributions, relative to higher-level brain areas. Brain-optimized inference thus offers a succinct and novel method for improving reconstructions and exploring the diversity of representations across visual brain areas.

CaVE: A Cone-Aligned Approach for Fast Predict-then-optimize with Binary Linear Programs. (arXiv:2312.07718v1 [cs.LG])

Authors: Bo Tang, Elias B. Khalil

The end-to-end predict-then-optimize framework, also known as decision-focused learning, has gained popularity for its ability to integrate optimization into the training procedure of machine learning models that predict the unknown cost (objective function) coefficients of optimization problems from contextual instance information. Naturally, most of the problems of interest in this space can be cast as integer linear programs. In this work, we focus on binary linear programs (BLPs) and propose a new end-to-end training method for predict-then-optimize. Our method, Cone-aligned Vector Estimation (CaVE), aligns the predicted cost vectors with the cone corresponding to the true optimal solution of a training instance. When the predicted cost vector lies inside the cone, the optimal solution to the linear relaxation of the binary problem is optimal w.r.t. to the true cost vector. Not only does this alignment produce decision-aware learning models, but it also dramatically reduces training time as it circumvents the need to solve BLPs to compute a loss function with its gradients. Experiments across multiple datasets show that our method exhibits a favorable trade-off between training time and solution quality, particularly with large-scale optimization problems such as vehicle routing, a hard BLP that has yet to benefit from predict-then-optimize methods in the literature due to its difficulty.

MedYOLO: A Medical Image Object Detection Framework. (arXiv:2312.07729v1 [eess.IV])

Authors: Joseph Sobek, Jose R. Medina Inojosa, Betsy J. Medina Inojosa, S. M. Rassoulinejad-Mousavi, Gian Marco Conte, Francisco Lopez-Jimenez, Bradley J. Erickson

Artificial intelligence-enhanced identification of organs, lesions, and other structures in medical imaging is typically done using convolutional neural networks (CNNs) designed to make voxel-accurate segmentations of the region of interest. However, the labels required to train these CNNs are time-consuming to generate and require attention from subject matter experts to ensure quality. For tasks where voxel-level precision is not required, object detection models offer a viable alternative that can reduce annotation effort. Despite this potential application, there are few options for general purpose object detection frameworks available for 3-D medical imaging. We report on MedYOLO, a 3-D object detection framework using the one-shot detection method of the YOLO family of models and designed for use with medical imaging. We tested this model on four different datasets: BRaTS, LIDC, an abdominal organ Computed Tomography (CT) dataset, and an ECG-gated heart CT dataset. We found our models achieve high performance on commonly present medium and large-sized structures such as the heart, liver, and pancreas even without hyperparameter tuning. However, the models struggle with very small or rarely present structures.

Hierarchical Classification of Financial Transactions Through Context-Fusion of Transformer-based Embeddings and Taxonomy-aware Attention Layer. (arXiv:2312.07730v1 [cs.LG])

Authors: Antonio J. G. Busson, Rafael Rocha, Rennan Gaio, Rafael Miceli, Ivan Pereira, Daniel de S. Moraes, Sérgio Colcher, Alvaro Veiga, Bruno Rizzi, Francisco Evangelista, Leandro Santos, Fellipe Marques, Marcos Rabaioli, Diego Feldberg, Debora Mattos, João Pasqua, Diogo Dias

This work proposes the Two-headed DragoNet, a Transformer-based model for hierarchical multi-label classification of financial transactions. Our model is based on a stack of Transformers encoder layers that generate contextual embeddings from two short textual descriptors (merchant name and business activity), followed by a Context Fusion layer and two output heads that classify transactions according to a hierarchical two-level taxonomy (macro and micro categories). Finally, our proposed Taxonomy-aware Attention Layer corrects predictions that break categorical hierarchy rules defined in the given taxonomy. Our proposal outperforms classical machine learning methods in experiments of macro-category classification by achieving an F1-score of 93\% on a card dataset and 95% on a current account dataset.

FULL-W2V: Fully Exploiting Data Reuse for W2V on GPU-Accelerated Systems. (arXiv:2312.07743v1 [cs.LG])

Authors: Thomas Randall, Tyler Allen, Rong Ge

Word2Vec remains one of the highly-impactful innovations in the field of Natural Language Processing (NLP) that represents latent grammatical and syntactical information in human text with dense vectors in a low dimension. Word2Vec has high computational cost due to the algorithm's inherent sequentiality, intensive memory accesses, and the large vocabularies it represents. While prior studies have investigated technologies to explore parallelism and improve memory system performance, they struggle to effectively gain throughput on powerful GPUs.

We identify memory data access and latency as the primary bottleneck in prior works on GPUs, which prevents highly optimized kernels from attaining the architecture's peak performance. We present a novel algorithm, FULL-W2V, which maximally exploits the opportunities for data reuse in the W2V algorithm and leverages GPU architecture and resources to reduce access to low memory levels and improve temporal locality. FULL-W2V is capable of reducing accesses to GPU global memory significantly, e.g., by more than 89\%, compared to prior state-of-the-art GPU implementations, resulting in significant performance improvement that scales across successive hardware generations. Our prototype implementation achieves 2.97X speedup when ported from Nvidia Pascal P100 to Volta V100 cards, and outperforms the state-of-the-art by 5.72X on V100 cards with the same embedding quality. In-depth analysis indicates that the reduction of memory accesses through register and shared memory caching and high-throughput shared memory reduction leads to a significantly improved arithmetic intensity. FULL-W2V can potentially benefit many applications in NLP and other domains.

Large Human Language Models: A Need and the Challenges. (arXiv:2312.07751v1 [cs.CL])

Authors: Nikita Soni, H. Andrew Schwartz, João Sedoc, Niranjan Balasubramanian

As research in human-centered NLP advances, there is a growing recognition of the importance of incorporating human and social factors into NLP models. At the same time, our NLP systems have become heavily reliant on LLMs, most of which do not model authors. To build NLP systems that can truly understand human language, we must better integrate human contexts into LLMs. This brings to the fore a range of design considerations and challenges in terms of what human aspects to capture, how to represent them, and what modeling strategies to pursue. To address these, we advocate for three positions toward creating large human language models (LHLMs) using concepts from psychological and behavioral sciences: First, LM training should include the human context. Second, LHLMs should recognize that people are more than their group(s). Third, LHLMs should be able to account for the dynamic and temporally-dependent nature of the human context. We refer to relevant advances and present open challenges that need to be addressed and their possible solutions in realizing these goals.

IDKM: Memory Efficient Neural Network Quantization via Implicit, Differentiable $k$-Means. (arXiv:2312.07759v1 [cs.LG])

Authors: Sean Jaffe, Ambuj K. Singh, Francesco Bullo

Compressing large neural networks with minimal performance loss is crucial to enabling their deployment on edge devices. (Cho et al., 2022) proposed a weight quantization method that uses an attention-based clustering algorithm called differentiable $k$-means (DKM). Despite achieving state-of-the-art results, DKM's performance is constrained by its heavy memory dependency. We propose an implicit, differentiable $k$-means algorithm (IDKM), which eliminates the major memory restriction of DKM. Let $t$ be the number of $k$-means iterations, $m$ be the number of weight-vectors, and $b$ be the number of bits per cluster address. IDKM reduces the overall memory complexity of a single $k$-means layer from $\mathcal{O}(t \cdot m \cdot 2^b)$ to $\mathcal{O}( m \cdot 2^b)$. We also introduce a variant, IDKM with Jacobian-Free-Backpropagation (IDKM-JFB), for which the time complexity of the gradient calculation is independent of $t$ as well. We provide a proof of concept of our methods by showing that, under the same settings, IDKM achieves comparable performance to DKM with less compute time and less memory. We also use IDKM and IDKM-JFB to quantize a large neural network, Resnet18, on hardware where DKM cannot train at all.

Interpretable factorization of clinical questionnaires to identify latent factors of psychopathology. (arXiv:2312.07762v1 [cs.LG])

Authors: Ka Chun Lam, Bridget W Mahony, Armin Raznahan, Francisco Pereira

Psychiatry research seeks to understand the manifestations of psychopathology in behavior, as measured in questionnaire data, by identifying a small number of latent factors that explain them. While factor analysis is the traditional tool for this purpose, the resulting factors may not be interpretable, and may also be subject to confounding variables. Moreover, missing data are common, and explicit imputation is often required. To overcome these limitations, we introduce interpretability constrained questionnaire factorization (ICQF), a non-negative matrix factorization method with regularization tailored for questionnaire data. Our method aims to promote factor interpretability and solution stability. We provide an optimization procedure with theoretical convergence guarantees, and an automated procedure to detect latent dimensionality accurately. We validate these procedures using realistic synthetic data. We demonstrate the effectiveness of our method in a widely used general-purpose questionnaire, in two independent datasets (the Healthy Brain Network and Adolescent Brain Cognitive Development studies). Specifically, we show that ICQF improves interpretability, as defined by domain experts, while preserving diagnostic information across a range of disorders, and outperforms competing methods for smaller dataset sizes. This suggests that the regularization in our method matches domain characteristics. The python implementation for ICQF is available at \url{https://github.com/jefferykclam/ICQF}.

Incremental hierarchical text clustering methods: a review. (arXiv:2312.07769v1 [cs.LG])

Authors: Fernando Simeone, Maik Olher Chaves, Ahmed Esmin

The growth in Internet usage has contributed to a large volume of continuously available data, and has created the need for automatic and efficient organization of the data. In this context, text clustering techniques are significant because they aim to organize documents according to their characteristics. More specifically, hierarchical and incremental clustering techniques can organize dynamic data in a hierarchical form, thus guaranteeing that this organization is updated and its exploration is facilitated. Based on the relevance and contemporary nature of the field, this study aims to analyze various hierarchical and incremental clustering techniques; the main contribution of this research is the organization and comparison of the techniques used by studies published between 2010 and 2018 that aimed to texts documents clustering. We describe the principal concepts related to the challenge and the different characteristics of these published works in order to provide a better understanding of the research in this field.

Combining propensity score methods with variational autoencoders for generating synthetic data in presence of latent sub-groups. (arXiv:2312.07781v1 [cs.LG])

Authors: Kiana Farhadyar, Federico Bonofiglio, Maren Hackenberg, Daniela Zoeller, Harald Binder

In settings requiring synthetic data generation based on a clinical cohort, e.g., due to data protection regulations, heterogeneity across individuals might be a nuisance that we need to control or faithfully preserve. The sources of such heterogeneity might be known, e.g., as indicated by sub-groups labels, or might be unknown and thus reflected only in properties of distributions, such as bimodality or skewness. We investigate how such heterogeneity can be preserved and controlled when obtaining synthetic data from variational autoencoders (VAEs), i.e., a generative deep learning technique that utilizes a low-dimensional latent representation. To faithfully reproduce unknown heterogeneity reflected in marginal distributions, we propose to combine VAEs with pre-transformations. For dealing with known heterogeneity due to sub-groups, we complement VAEs with models for group membership, specifically from propensity score regression. The evaluation is performed with a realistic simulation design that features sub-groups and challenging marginal distributions. The proposed approach faithfully recovers the latter, compared to synthetic data approaches that focus purely on marginal distributions. Propensity scores add complementary information, e.g., when visualized in the latent space, and enable sampling of synthetic data with or without sub-group specific characteristics. We also illustrate the proposed approach with real data from an international stroke trial that exhibits considerable distribution differences between study sites, in addition to bimodality. These results indicate that describing heterogeneity by statistical approaches, such as propensity score regression, might be more generally useful for complementing generative deep learning for obtaining synthetic data that faithfully reflects structure from clinical cohorts.

Robust MRI Reconstruction by Smoothed Unrolling (SMUG). (arXiv:2312.07784v1 [eess.IV])

Authors: Shijun Liang, Van Hoang Minh Nguyen, Jinghan Jia, Ismail Alkhouri, Sijia Liu, Saiprasad Ravishankar

As the popularity of deep learning (DL) in the field of magnetic resonance imaging (MRI) continues to rise, recent research has indicated that DL-based MRI reconstruction models might be excessively sensitive to minor input disturbances, including worst-case additive perturbations. This sensitivity often leads to unstable, aliased images. This raises the question of how to devise DL techniques for MRI reconstruction that can be robust to train-test variations. To address this problem, we propose a novel image reconstruction framework, termed Smoothed Unrolling (SMUG), which advances a deep unrolling-based MRI reconstruction model using a randomized smoothing (RS)-based robust learning approach. RS, which improves the tolerance of a model against input noises, has been widely used in the design of adversarial defense approaches for image classification tasks. Yet, we find that the conventional design that applies RS to the entire DL-based MRI model is ineffective. In this paper, we show that SMUG and its variants address the above issue by customizing the RS process based on the unrolling architecture of a DL-based MRI reconstruction model. Compared to the vanilla RS approach, we show that SMUG improves the robustness of MRI reconstruction with respect to a diverse set of instability sources, including worst-case and random noise perturbations to input measurements, varying measurement sampling rates, and different numbers of unrolling steps. Furthermore, we theoretically analyze the robustness of our method in the presence of perturbations.

Characteristic Circuits. (arXiv:2312.07790v1 [cs.LG])

Authors: Zhongjie Yu, Martin Trapp, Kristian Kersting

In many real-world scenarios, it is crucial to be able to reliably and efficiently reason under uncertainty while capturing complex relationships in data. Probabilistic circuits (PCs), a prominent family of tractable probabilistic models, offer a remedy to this challenge by composing simple, tractable distributions into a high-dimensional probability distribution. However, learning PCs on heterogeneous data is challenging and densities of some parametric distributions are not available in closed form, limiting their potential use. We introduce characteristic circuits (CCs), a family of tractable probabilistic models providing a unified formalization of distributions over heterogeneous data in the spectral domain. The one-to-one relationship between characteristic functions and probability measures enables us to learn high-dimensional distributions on heterogeneous data domains and facilitates efficient probabilistic inference even when no closed-form density function is available. We show that the structure and parameters of CCs can be learned efficiently from the data and find that CCs outperform state-of-the-art density estimators for heterogeneous data domains on common benchmark data sets.

Differentially private projection-depth-based medians. (arXiv:2312.07792v1 [math.ST])

Authors: Kelly Ramsay, Dylan Spicker

We develop $(\epsilon,\delta)$-differentially private projection-depth-based medians using the propose-test-release (PTR) and exponential mechanisms. Under general conditions on the input parameters and the population measure, (e.g. we do not assume any moment bounds), we quantify the probability the test in PTR fails, as well as the cost of privacy via finite sample deviation bounds. We demonstrate our main result on the canonical projection-depth-based median. In the Gaussian setting, we show that the resulting deviation bound matches the known lower bound for private Gaussian mean estimation, up to a polynomial function of the condition number of the covariance matrix. In the Cauchy setting, we show that the ``outlier error amplification'' effect resulting from the heavy tails outweighs the cost of privacy. This result is then verified via numerical simulations. Additionally, we present results on general PTR mechanisms and a uniform concentration result on the projected spacings of order statistics.

Traffic Signal Control Using Lightweight Transformers: An Offline-to-Online RL Approach. (arXiv:2312.07795v1 [cs.LG])

Authors: Xingshuai Huang, Di Wu, Benoit Boulet

Efficient traffic signal control is critical for reducing traffic congestion and improving overall transportation efficiency. The dynamic nature of traffic flow has prompted researchers to explore Reinforcement Learning (RL) for traffic signal control (TSC). Compared with traditional methods, RL-based solutions have shown preferable performance. However, the application of RL-based traffic signal controllers in the real world is limited by the low sample efficiency and high computational requirements of these solutions. In this work, we propose DTLight, a simple yet powerful lightweight Decision Transformer-based TSC method that can learn policy from easily accessible offline datasets. DTLight novelly leverages knowledge distillation to learn a lightweight controller from a well-trained larger teacher model to reduce implementation computation. Additionally, it integrates adapter modules to mitigate the expenses associated with fine-tuning, which makes DTLight practical for online adaptation with minimal computation and only a few fine-tuning steps during real deployment. Moreover, DTLight is further enhanced to be more applicable to real-world TSC problems. Extensive experiments on synthetic and real-world scenarios show that DTLight pre-trained purely on offline datasets can outperform state-of-the-art online RL-based methods in most scenarios. Experiment results also show that online fine-tuning further improves the performance of DTLight by up to 42.6% over the best online RL baseline methods. In this work, we also introduce Datasets specifically designed for TSC with offline RL (referred to as DTRL). Our datasets and code are publicly available.

Estimation of embedding vectors in high dimensions. (arXiv:2312.07802v1 [cs.LG])

Authors: Golara Ahmadi Azar, Melika Emami, Alyson Fletcher, Sundeep Rangan

Embeddings are a basic initial feature extraction step in many machine learning models, particularly in natural language processing. An embedding attempts to map data tokens to a low-dimensional space where similar tokens are mapped to vectors that are close to one another by some metric in the embedding space. A basic question is how well can such embedding be learned? To study this problem, we consider a simple probability model for discrete data where there is some "true" but unknown embedding where the correlation of random variables is related to the similarity of the embeddings. Under this model, it is shown that the embeddings can be learned by a variant of low-rank approximate message passing (AMP) method. The AMP approach enables precise predictions of the accuracy of the estimation in certain high-dimensional limits. In particular, the methodology provides insight on the relations of key parameters such as the number of samples per value, the frequency of the terms, and the strength of the embedding correlation on the probability distribution. Our theoretical findings are validated by simulations on both synthetic data and real text data.

On a Foundation Model for Operating Systems. (arXiv:2312.07813v1 [cs.OS])

Authors: Divyanshu Saxena, Nihal Sharma, Donghyun Kim, Rohit Dwivedula, Jiayi Chen, Chenxi Yang, Sriram Ravula, Zichao Hu, Aditya Akella, Sebastian Angel, Joydeep Biswas, Swarat Chaudhuri, Isil Dillig, Alex Dimakis, P. Brighten Godfrey, Daehyeok Kim, Chris Rossbach, Gang Wang

This paper lays down the research agenda for a domain-specific foundation model for operating systems (OSes). Our case for a foundation model revolves around the observations that several OS components such as CPU, memory, and network subsystems are interrelated and that OS traces offer the ideal dataset for a foundation model to grasp the intricacies of diverse OS components and their behavior in varying environments and workloads. We discuss a wide range of possibilities that then arise, from employing foundation models as policy agents to utilizing them as generators and predictors to assist traditional OS control algorithms. Our hope is that this paper spurs further research into OS foundation models and creating the next generation of operating systems for the evolving computing landscape.

Radio Signal Classification by Adversarially Robust Quantum Machine Learning. (arXiv:2312.07821v1 [quant-ph])

Authors: Yanqiu Wu, Eromanga Adermann, Chandra Thapa, Seyit Camtepe, Hajime Suzuki, Muhammad Usman

Radio signal classification plays a pivotal role in identifying the modulation scheme used in received radio signals, which is essential for demodulation and proper interpretation of the transmitted information. Researchers have underscored the high susceptibility of ML algorithms for radio signal classification to adversarial attacks. Such vulnerability could result in severe consequences, including misinterpretation of critical messages, interception of classified information, or disruption of communication channels. Recent advancements in quantum computing have revolutionized theories and implementations of computation, bringing the unprecedented development of Quantum Machine Learning (QML). It is shown that quantum variational classifiers (QVCs) provide notably enhanced robustness against classical adversarial attacks in image classification. However, no research has yet explored whether QML can similarly mitigate adversarial threats in the context of radio signal classification. This work applies QVCs to radio signal classification and studies their robustness to various adversarial attacks. We also propose the novel application of the approximate amplitude encoding (AAE) technique to encode radio signal data efficiently. Our extensive simulation results present that attacks generated on QVCs transfer well to CNN models, indicating that these adversarial examples can fool neural networks that they are not explicitly designed to attack. However, the converse is not true. QVCs primarily resist the attacks generated on CNNs. Overall, with comprehensive simulations, our results shed new light on the growing field of QML by bridging knowledge gaps in QAML in radio signal classification and uncovering the advantages of applying QML methods in practical applications.

Prototypical Self-Explainable Models Without Re-training. (arXiv:2312.07822v1 [cs.LG])

Authors: Srishti Gautam, Ahcene Boubekki, Marina M. C. Höhne, Michael C. Kampffmeyer

Explainable AI (XAI) has unfolded in two distinct research directions with, on the one hand, post-hoc methods that explain the predictions of a pre-trained black-box model and, on the other hand, self-explainable models (SEMs) which are trained directly to provide explanations alongside their predictions. While the latter is preferred in most safety-critical scenarios, post-hoc approaches have received the majority of attention until now, owing to their simplicity and ability to explain base models without retraining. Current SEMs instead, require complex architectures and heavily regularized loss functions, thus necessitating specific and costly training. To address this shortcoming and facilitate wider use of SEMs, we propose a simple yet efficient universal method called KMEx (K-Means Explainer), which can convert any existing pre-trained model into a prototypical SEM. The motivation behind KMEx is to push towards more transparent deep learning-based decision-making via class-prototype-based explanations that are guaranteed to be diverse and trustworthy without retraining the base model. We compare models obtained from KMEx to state-of-the-art SEMs using an extensive qualitative evaluation to highlight the strengths and weaknesses of each model, further paving the way toward a more reliable and objective evaluation of SEMs.

Abusive Span Detection for Vietnamese Narrative Texts. (arXiv:2312.07831v1 [cs.CL])

Authors: Nhu-Thanh Nguyen, Khoa Thi-Kim Phan, Duc-Vu Nguyen, Ngan Luu-Thuy Nguyen

Abuse in its various forms, including physical, psychological, verbal, sexual, financial, and cultural, has a negative impact on mental health. However, there are limited studies on applying natural language processing (NLP) in this field in Vietnam. Therefore, we aim to contribute by building a human-annotated Vietnamese dataset for detecting abusive content in Vietnamese narrative texts. We sourced these texts from VnExpress, Vietnam's popular online newspaper, where readers often share stories containing abusive content. Identifying and categorizing abusive spans in these texts posed significant challenges during dataset creation, but it also motivated our research. We experimented with lightweight baseline models by freezing PhoBERT and XLM-RoBERTa and using their hidden states in a BiLSTM to assess the complexity of the dataset. According to our experimental results, PhoBERT outperforms other models in both labeled and unlabeled abusive span detection tasks. These results indicate that it has the potential for future improvements.

Stable Rivers: A Case Study in the Application of Text-to-Image Generative Models for Earth Sciences. (arXiv:2312.07833v1 [cs.CV])

Authors: C Kupferschmidt, A.D. Binns, K.L. Kupferschmidt, G.W Taylor

Text-to-image (TTI) generative models can be used to generate photorealistic images from a given text-string input. These models offer great potential to mitigate challenges to the uptake of machine learning in the earth sciences. However, the rapid increase in their use has raised questions about fairness and biases, with most research to-date focusing on social and cultural areas rather than domain-specific considerations. We conducted a case study for the earth sciences, focusing on the field of fluvial geomorphology, where we evaluated subject-area specific biases in the training data and downstream model performance of Stable Diffusion (v1.5). In addition to perpetuating Western biases, we found that the training data over-represented scenic locations, such as famous rivers and waterfalls, and showed serious under- and over-representation of many morphological and environmental terms. Despite biased training data, we found that with careful prompting, the Stable Diffusion model was able to generate photorealistic synthetic river images reproducing many important environmental and morphological characteristics. Furthermore, conditional control techniques, such as the use of condition maps with ControlNet were effective for providing additional constraints on output images. Despite great potential for the use of TTI models in the earth sciences field, we advocate for caution in sensitive applications, and advocate for domain-specific reviews of training data and image generation biases to mitigate perpetuation of existing biases.

Video Dynamics Prior: An Internal Learning Approach for Robust Video Enhancements. (arXiv:2312.07835v1 [cs.CV])

Authors: Gaurav Shrivastava, Ser-Nam Lim, Abhinav Shrivastava

In this paper, we present a novel robust framework for low-level vision tasks, including denoising, object removal, frame interpolation, and super-resolution, that does not require any external training data corpus. Our proposed approach directly learns the weights of neural modules by optimizing over the corrupted test sequence, leveraging the spatio-temporal coherence and internal statistics of videos. Furthermore, we introduce a novel spatial pyramid loss that leverages the property of spatio-temporal patch recurrence in a video across the different scales of the video. This loss enhances robustness to unstructured noise in both the spatial and temporal domains. This further results in our framework being highly robust to degradation in input frames and yields state-of-the-art results on downstream tasks such as denoising, object removal, and frame interpolation. To validate the effectiveness of our approach, we conduct qualitative and quantitative evaluations on standard video datasets such as DAVIS, UCF-101, and VIMEO90K-T.

Synthetic Data: Can We Trust Statistical Estimators?. (arXiv:2312.07837v1 [cs.LG])

Authors: Alexander Decruyenaere, Heidelinde Dehaene, Paloma Rabaey, Christiaan Polet, Johan Decruyenaere, Stijn Vansteelandt, Thomas Demeester

The increasing interest in data sharing makes synthetic data appealing. However, the analysis of synthetic data raises a unique set of methodological challenges. In this work, we highlight the importance of inferential utility and provide empirical evidence against naive inference from synthetic data (that handles these as if they were really observed). We argue that the rate of false-positive findings (type 1 error) will be unacceptably high, even when the estimates are unbiased. One of the reasons is the underestimation of the true standard error, which may even progressively increase with larger sample sizes due to slower convergence. This is especially problematic for deep generative models. Before publishing synthetic data, it is essential to develop statistical inference tools for such data.

Minimax-optimal estimation for sparse multi-reference alignment with collision-free signals. (arXiv:2312.07839v1 [math.ST])

Authors: Subhro Ghosh, Soumendu Sundar Mukherjee, Jing Bin Pan

The Multi-Reference Alignment (MRA) problem aims at the recovery of an unknown signal from repeated observations under the latent action of a group of cyclic isometries, in the presence of additive noise of high intensity $\sigma$. It is a more tractable version of the celebrated cryo EM model. In the crucial high noise regime, it is known that its sample complexity scales as $\sigma^6$. Recent investigations have shown that for the practically significant setting of sparse signals, the sample complexity of the maximum likelihood estimator asymptotically scales with the noise level as $\sigma^4$. In this work, we investigate minimax optimality for signal estimation under the MRA model for so-called collision-free signals. In particular, this signal class covers the setting of generic signals of dilute sparsity (wherein the support size $s=O(L^{1/3})$, where $L$ is the ambient dimension.

We demonstrate that the minimax optimal rate of estimation in for the sparse MRA problem in this setting is $\sigma^2/\sqrt{n}$, where $n$ is the sample size. In particular, this widely generalizes the sample complexity asymptotics for the restricted MLE in this setting, establishing it as the statistically optimal estimator. Finally, we demonstrate a concentration inequality for the restricted MLE on its deviations from the ground truth.

On the Dynamics Under the Unhinged Loss and Beyond. (arXiv:2312.07841v1 [cs.LG])

Authors: Xiong Zhou, Xianming Liu, Hanzhang Wang, Deming Zhai, Junjun Jiang, Xiangyang Ji

Recent works have studied implicit biases in deep learning, especially the behavior of last-layer features and classifier weights. However, they usually need to simplify the intermediate dynamics under gradient flow or gradient descent due to the intractability of loss functions and model architectures. In this paper, we introduce the unhinged loss, a concise loss function, that offers more mathematical opportunities to analyze the closed-form dynamics while requiring as few simplifications or assumptions as possible. The unhinged loss allows for considering more practical techniques, such as time-vary learning rates and feature normalization. Based on the layer-peeled model that views last-layer features as free optimization variables, we conduct a thorough analysis in the unconstrained, regularized, and spherical constrained cases, as well as the case where the neural tangent kernel remains invariant. To bridge the performance of the unhinged loss to that of Cross-Entropy (CE), we investigate the scenario of fixing classifier weights with a specific structure, (e.g., a simplex equiangular tight frame). Our analysis shows that these dynamics converge exponentially fast to a solution depending on the initialization of features and classifier weights. These theoretical results not only offer valuable insights, including explicit feature regularization and rescaled learning rates for enhancing practical training with the unhinged loss, but also extend their applicability to other loss functions. Finally, we empirically demonstrate these theoretical results and insights through extensive experiments.

Noise in the reverse process improves the approximation capabilities of diffusion models. (arXiv:2312.07851v1 [cs.LG])

Authors: Karthik Elamvazhuthi, Samet Oymak, Fabio Pasqualetti

In Score based Generative Modeling (SGMs), the state-of-the-art in generative modeling, stochastic reverse processes are known to perform better than their deterministic counterparts. This paper delves into the heart of this phenomenon, comparing neural ordinary differential equations (ODEs) and neural stochastic differential equations (SDEs) as reverse processes. We use a control theoretic perspective by posing the approximation of the reverse process as a trajectory tracking problem. We analyze the ability of neural SDEs to approximate trajectories of the Fokker-Planck equation, revealing the advantages of stochasticity. First, neural SDEs exhibit a powerful regularizing effect, enabling $L^2$ norm trajectory approximation surpassing the Wasserstein metric approximation achieved by neural ODEs under similar conditions, even when the reference vector field or score function is not Lipschitz. Applying this result, we establish the class of distributions that can be sampled using score matching in SGMs, relaxing the Lipschitz requirement on the gradient of the data distribution in existing literature. Second, we show that this approximation property is preserved when network width is limited to the input dimension of the network. In this limited width case, the weights act as control inputs, framing our analysis as a controllability problem for neural SDEs in probability density space. This sheds light on how noise helps to steer the system towards the desired solution and illuminates the empirical success of stochasticity in generative modeling.

Diffusion Models Enable Zero-Shot Pose Estimation for Lower-Limb Prosthetic Users. (arXiv:2312.07854v1 [cs.CV])

Authors: Tianxun Zhou, Muhammad Nur Shahril Iskandar, Keng-Hwee Chiam

The application of 2D markerless gait analysis has garnered increasing interest and application within clinical settings. However, its effectiveness in the realm of lower-limb amputees has remained less than optimal. In response, this study introduces an innovative zero-shot method employing image generation diffusion models to achieve markerless pose estimation for lower-limb prosthetics, presenting a promising solution to gait analysis for this specific population. Our approach demonstrates an enhancement in detecting key points on prosthetic limbs over existing methods, and enables clinicians to gain invaluable insights into the kinematics of lower-limb amputees across the gait cycle. The outcomes obtained not only serve as a proof-of-concept for the feasibility of this zero-shot approach but also underscore its potential in advancing rehabilitation through gait analysis for this unique population.

Exploring Popularity Bias in Session-based Recommendation. (arXiv:2312.07855v1 [cs.IR])

Authors: Haowen Wang

Existing work has revealed that large-scale offline evaluation of recommender systems for user-item interactions is prone to bias caused by the deployed system itself, as a form of closed loop feedback. Many adopt the \textit{propensity} concept to analyze or mitigate this empirical issue. In this work, we extend the analysis to session-based setup and adapted propensity calculation to the unique characteristics of session-based recommendation tasks. Our experiments incorporate neural models and KNN-based models, and cover both the music and the e-commerce domain. We study the distributions of propensity and different stratification techniques on different datasets and find that propensity-related traits are actually dataset-specific. We then leverage the effect of stratification and achieve promising results compared to the original models.

Invariant Graph Transformer. (arXiv:2312.07859v1 [cs.LG])

Authors: Zhe Xu (1), Menghai Pan (2), Yuzhong Chen (2), Huiyuan Chen (2), Yuchen Yan (1), Mahashweta Das (2), Hanghang Tong (1) ((1) University of Illinois Urbana-Champaign, (2) Visa Research)

Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In graph machine learning context, graph rationale is defined to locate the critical subgraph in the given graph topology, which fundamentally determines the prediction results. In contrast to the rationale subgraph, the remaining subgraph is named the environment subgraph. Graph rationalization can enhance the model performance as the mapping between the graph rationale and prediction label is viewed as invariant, by assumption. To ensure the discriminative power of the extracted rationale subgraphs, a key technique named "intervention" is applied. The core idea of intervention is that given any changing environment subgraphs, the semantics from the rationale subgraph is invariant, which guarantees the correct prediction result. However, most, if not all, of the existing rationalization works on graph data develop their intervention strategies on the graph level, which is coarse-grained. In this paper, we propose well-tailored intervention strategies on graph data. Our idea is driven by the development of Transformer models, whose self-attention module provides rich interactions between input nodes. Based on the self-attention module, our proposed invariant graph Transformer (IGT) can achieve fine-grained, more specifically, node-level and virtual node-level intervention. Our comprehensive experiments involve 7 real-world datasets, and the proposed IGT shows significant performance advantages compared to 13 baseline methods.

GraphGuard: Detecting and Counteracting Training Data Misuse in Graph Neural Networks. (arXiv:2312.07861v1 [cs.LG])

Authors: Bang Wu, He Zhang, Xiangwen Yang, Shuo Wang, Minhui Xue, Shirui Pan, Xingliang Yuan

The emergence of Graph Neural Networks (GNNs) in graph data analysis and their deployment on Machine Learning as a Service platforms have raised critical concerns about data misuse during model training. This situation is further exacerbated due to the lack of transparency in local training processes, potentially leading to the unauthorized accumulation of large volumes of graph data, thereby infringing on the intellectual property rights of data owners. Existing methodologies often address either data misuse detection or mitigation, and are primarily designed for local GNN models rather than cloud-based MLaaS platforms. These limitations call for an effective and comprehensive solution that detects and mitigates data misuse without requiring exact training data while respecting the proprietary nature of such data. This paper introduces a pioneering approach called GraphGuard, to tackle these challenges. We propose a training-data-free method that not only detects graph data misuse but also mitigates its impact via targeted unlearning, all without relying on the original training data. Our innovative misuse detection technique employs membership inference with radioactive data, enhancing the distinguishability between member and non-member data distributions. For mitigation, we utilize synthetic graphs that emulate the characteristics previously learned by the target model, enabling effective unlearning even in the absence of exact graph data. We conduct comprehensive experiments utilizing four real-world graph datasets to demonstrate the efficacy of GraphGuard in both detection and unlearning. We show that GraphGuard attains a near-perfect detection rate of approximately 100% across these datasets with various GNN models. In addition, it performs unlearning by eliminating the impact of the unlearned graph with a marginal decrease in accuracy (less than 5%).

Learn or Recall? Revisiting Incremental Learning with Pre-trained Language Models. (arXiv:2312.07887v1 [cs.CL])

Authors: Junhao Zheng, Shengjie Qiu, Qianli Ma

Incremental Learning (IL) has been a long-standing problem in both vision and Natural Language Processing (NLP) communities. In recent years, as Pre-trained Language Models (PLMs) have achieved remarkable progress in various NLP downstream tasks, utilizing PLMs as backbones has become a common practice in recent research of IL in NLP. Most assume that catastrophic forgetting is the biggest obstacle to achieving superior IL performance and propose various techniques to overcome this issue. However, we find that this assumption is problematic. Specifically, we revisit more than 20 methods on four classification tasks (Text Classification, Intent Classification, Relation Extraction, and Named Entity Recognition) under the two most popular IL settings (Class-Incremental and Task-Incremental) and reveal that most of them severely underestimate the inherent anti-forgetting ability of PLMs. Based on the observation, we propose a frustratingly easy method called SEQ* for IL with PLMs. The results show that SEQ* has competitive or superior performance compared to state-of-the-art (SOTA) IL methods and requires considerably less trainable parameters and training time. These findings urge us to revisit the IL with PLMs and encourage future studies to have a fundamental understanding of the catastrophic forgetting in PLMs. The data, code and scripts are publicly available at https://github.com/zzz47zzz/pretrained-lm-for-incremental-learning.

Morphological Profiling for Drug Discovery in the Era of Deep Learning. (arXiv:2312.07899v1 [q-bio.QM])

Authors: Qiaosi Tang, Ranjala Ratnayake, Gustavo Seabra, Zhe Jiang, Ruogu Fang, Lina Cui, Yousong Ding, Tamer Kahveci, Jiang Bian, Chenglong Li, Hendrik Luesch, Yanjun Li

Morphological profiling is a valuable tool in phenotypic drug discovery. The advent of high-throughput automated imaging has enabled the capturing of a wide range of morphological features of cells or organisms in response to perturbations at the single-cell resolution. Concurrently, significant advances in machine learning and deep learning, especially in computer vision, have led to substantial improvements in analyzing large-scale high-content images at high-throughput. These efforts have facilitated understanding of compound mechanism-of-action (MOA), drug repurposing, characterization of cell morphodynamics under perturbation, and ultimately contributing to the development of novel therapeutics. In this review, we provide a comprehensive overview of the recent advances in the field of morphological profiling. We summarize the image profiling analysis workflow, survey a broad spectrum of analysis strategies encompassing feature engineering- and deep learning-based approaches, and introduce publicly available benchmark datasets. We place a particular emphasis on the application of deep learning in this pipeline, covering cell segmentation, image representation learning, and multimodal learning. Additionally, we illuminate the application of morphological profiling in phenotypic drug discovery and highlight potential challenges and opportunities in this field.

PromptBench: A Unified Library for Evaluation of Large Language Models. (arXiv:2312.07910v1 [cs.AI])

Authors: Kaijie Zhu, Qinlin Zhao, Hao Chen, Jindong Wang, Xing Xie

The evaluation of large language models (LLMs) is crucial to assess their performance and mitigate potential security risks. In this paper, we introduce PromptBench, a unified library to evaluate LLMs. It consists of several key components that are easily used and extended by researchers: prompt construction, prompt engineering, dataset and model loading, adversarial prompt attack, dynamic evaluation protocols, and analysis tools. PromptBench is designed to be an open, general, and flexible codebase for research purposes that can facilitate original study in creating new benchmarks, deploying downstream applications, and designing new evaluation protocols. The code is available at: https://github.com/microsoft/promptbench and will be continuously supported.

Robust and Performance Incentivizing Algorithms for Multi-Armed Bandits with Strategic Agents. (arXiv:2312.07929v1 [cs.GT])

Authors: Seyed A. Esmaeili, Suho Shin, Aleksandrs Slivkins

We consider a variant of the stochastic multi-armed bandit problem. Specifically, the arms are strategic agents who can improve their rewards or absorb them. The utility of an agent increases if she is pulled more or absorbs more of her rewards but decreases if she spends more effort improving her rewards. Agents have heterogeneous properties, specifically having different means and able to improve their rewards up to different levels. Further, a non-empty subset of agents are ''honest'' and in the worst case always give their rewards without absorbing any part. The principal wishes to obtain a high revenue (cumulative reward) by designing a mechanism that incentives top level performance at equilibrium. At the same time, the principal wishes to be robust and obtain revenue at least at the level of the honest agent with the highest mean in case of non-equilibrium behaviour. We identify a class of MAB algorithms which we call performance incentivizing which satisfy a collection of properties and show that they lead to mechanisms that incentivize top level performance at equilibrium and are robust under any strategy profile. Interestingly, we show that UCB is an example of such a MAB algorithm. Further, in the case where the top performance level is unknown we show that combining second price auction ideas with performance incentivizing algorithms achieves performance at least at the second top level while also being robust.

Towards Optimal Statistical Watermarking. (arXiv:2312.07930v1 [cs.LG])

Authors: Baihe Huang, Banghua Zhu, Hanlin Zhu, Jason D. Lee, Jiantao Jiao, Michael I. Jordan

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-off between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in this context. In the most common scenario where the output is a sequence of $n$ tokens, we establish matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate scales as $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ and thus greatly improves the $O(h^{-2})$ rate in the previous works. For scenarios where the detector lacks knowledge of the model's distribution, we introduce the concept of model-agnostic watermarking and establish the minimax bounds for the resultant increase in Type II error. Moreover, we formulate the robust watermarking problem where user is allowed to perform a class of perturbation on the generated texts, and characterize the optimal type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, and might be of interest for future works.

Levenshtein Distance Embedding with Poisson Regression for DNA Storage. (arXiv:2312.07931v1 [cs.LG])

Authors: Xiang Wei, Alan J.X. Guo, Sihan Sun, Mengyi Wei, Wei Yu

Efficient computation or approximation of Levenshtein distance, a widely-used metric for evaluating sequence similarity, has attracted significant attention with the emergence of DNA storage and other biological applications. Sequence embedding, which maps Levenshtein distance to a conventional distance between embedding vectors, has emerged as a promising solution. In this paper, a novel neural network-based sequence embedding technique using Poisson regression is proposed. We first provide a theoretical analysis of the impact of embedding dimension on model performance and present a criterion for selecting an appropriate embedding dimension. Under this embedding dimension, the Poisson regression is introduced by assuming the Levenshtein distance between sequences of fixed length following a Poisson distribution, which naturally aligns with the definition of Levenshtein distance. Moreover, from the perspective of the distribution of embedding distances, Poisson regression approximates the negative log likelihood of the chi-squared distribution and offers advancements in removing the skewness. Through comprehensive experiments on real DNA storage data, we demonstrate the superior performance of the proposed method compared to state-of-the-art approaches.

Linear Combination of Exponential Moving Averages for Wireless Channel Prediction. (arXiv:2312.07945v1 [cs.NI])

Authors: Gabriele Formis, Stefano Scanzio, Gianluca Cena, Adriano Valenzano

The ability to predict the behavior of a wireless channel in terms of the frame delivery ratio is quite valuable, and permits, e.g., to optimize the operating parameters of a wireless network at runtime, or to proactively react to the degradation of the channel quality, in order to meet the stringent requirements about dependability and end-to-end latency that typically characterize industrial applications.

In this work, prediction models based on the exponential moving average (EMA) are investigated in depth, which are proven to outperform other simple statistical methods and whose performance is nearly as good as artificial neural networks, but with dramatically lower computational requirements. Regarding the innovation and motivation of this work, a new model that we called EMA linear combination (ELC), is introduced, explained, and evaluated experimentally.

Its prediction accuracy, tested on some databases acquired from a real setup based on Wi-Fi devices, showed that ELC brings tangible improvements over EMA in any experimental conditions, the only drawback being a slight increase in computational complexity.

CBQ: Cross-Block Quantization for Large Language Models. (arXiv:2312.07950v1 [cs.LG])

Authors: Xin Ding, Xiaoyu Liu, Yun Zhang, Zhijun Tu, Wei Li, Jie Hu, Hanting Chen, Yehui Tang, Zhiwei Xiong, Baoqun Yin, Yunhe Wang

Post-training quantization (PTQ) has driven attention to producing efficient large language models (LLMs) with ultra-low costs. Since hand-craft quantization parameters lead to low performance in low-bit quantization, recent methods optimize the quantization parameters through block-wise reconstruction between the floating-point and quantized models. However, these methods suffer from two challenges: accumulated errors from independent one-by-one block quantization and reconstruction difficulties from extreme weight and activation outliers. To address these two challenges, we propose CBQ, a cross-block reconstruction-based PTQ method for LLMs. To reduce error accumulation, we introduce a cross-block dependency with the aid of a homologous reconstruction scheme to build the long-range dependency between adjacent multi-blocks with overlapping. To reduce reconstruction difficulty, we design a coarse-to-fine pre-processing (CFP) to truncate weight outliers and dynamically scale activation outliers before optimization, and an adaptive rounding scheme, called LoRA-Rounding, with two low-rank learnable matrixes to further rectify weight quantization errors. Extensive experiments demonstrate that: (1) CBQ pushes both activation and weight quantization to low-bit settings W4A4, W4A8, and W2A16. (2) CBQ achieves better performance than the existing state-of-the-art methods on various LLMs and benchmark datasets.

Meta-learning to Calibrate Gaussian Processes with Deep Kernels for Regression Uncertainty Estimation. (arXiv:2312.07952v1 [stat.ML])

Authors: Tomoharu Iwata, Atsutoshi Kumagai

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for improving regression uncertainty estimation performance with a limited number of training data. The proposed method meta-learns how to calibrate uncertainty using data from various tasks by minimizing the test expected calibration error, and uses the knowledge for unseen tasks. We design our model such that the adaptation and calibration for each task can be performed without iterative procedures, which enables effective meta-learning. In particular, a task-specific uncalibrated output distribution is modeled by a GP with a task-shared encoder network, and it is transformed to a calibrated one using a cumulative density function of a task-specific Gaussian mixture model (GMM). By integrating the GP and GMM into our neural network-based model, we can meta-learn model parameters in an end-to-end fashion. Our experiments demonstrate that the proposed method improves uncertainty estimation performance while keeping high regression performance compared with the existing methods using real-world datasets in few-shot settings.

Enhancing Robotic Navigation: An Evaluation of Single and Multi-Objective Reinforcement Learning Strategies. (arXiv:2312.07953v1 [cs.RO])

Authors: Vicki Young, Jumman Hossain, Nirmalya Roy

This study presents a comparative analysis between single-objective and multi-objective reinforcement learning methods for training a robot to navigate effectively to an end goal while efficiently avoiding obstacles. Traditional reinforcement learning techniques, namely Deep Q-Network (DQN), Deep Deterministic Policy Gradient (DDPG), and Twin Delayed DDPG (TD3), have been evaluated using the Gazebo simulation framework in a variety of environments with parameters such as random goal and robot starting locations. These methods provide a numerical reward to the robot, offering an indication of action quality in relation to the goal. However, their limitations become apparent in complex settings where multiple, potentially conflicting, objectives are present. To address these limitations, we propose an approach employing Multi-Objective Reinforcement Learning (MORL). By modifying the reward function to return a vector of rewards, each pertaining to a distinct objective, the robot learns a policy that effectively balances the different goals, aiming to achieve a Pareto optimal solution. This comparative study highlights the potential for MORL in complex, dynamic robotic navigation tasks, setting the stage for future investigations into more adaptable and robust robotic behaviors.

Erasing Self-Supervised Learning Backdoor by Cluster Activation Masking. (arXiv:2312.07955v1 [cs.CV])

Authors: Shengsheng Qian, Yifei Wang, Dizhan Xue, Shengjie Zhang, Huaiwen Zhang, Changsheng Xu

Researchers have recently found that Self-Supervised Learning (SSL) is vulnerable to backdoor attacks. The attacker can embed hidden SSL backdoors via a few poisoned examples in the training dataset and maliciously manipulate the behavior of downstream models. To defend against SSL backdoor attacks, a feasible route is to detect and remove the poisonous samples in the training set. However, the existing SSL backdoor defense method fails to detect the poisonous samples precisely. In this paper, we propose to erase the SSL backdoor by cluster activation masking and propose a novel PoisonCAM method. After obtaining the threat model trained on the poisoned dataset, our method can precisely detect poisonous samples based on the assumption that masking the backdoor trigger can effectively change the activation of a downstream clustering model. In experiments, our PoisonCAM achieves 96% accuracy for backdoor trigger detection compared to 3% of the state-of-the-art method on poisoned ImageNet-100. Moreover, our proposed PoisonCAM significantly improves the performance of the trained SSL model under backdoor attacks compared to the state-of-the-art method. Our code will be available at https://github.com/LivXue/PoisonCAM.

Pneumonia Detection on chest X-ray images Using Ensemble of Deep Convolutional Neural Networks. (arXiv:2312.07965v1 [eess.IV])

Authors: Alhassan Mabrouk, Rebeca P. Díaz Redondo, Abdelghani Dahou, Mohamed Abd Elaziz, Mohammed Kayed

Pneumonia is a life-threatening lung infection resulting from several different viral infections. Identifying and treating pneumonia on chest X-ray images can be difficult due to its similarity to other pulmonary diseases. Thus, the existing methods for predicting pneumonia cannot attain substantial levels of accuracy. Therefore, this paper presents a computer-aided classification of pneumonia, coined as Ensemble Learning (EL), to simplify the diagnosis process on chest X-ray images. Our proposal is based on Convolutional Neural Network (CNN) models, which are pre-trained CNN models that have been recently employed to enhance the performance of many medical tasks instead of training CNN models from scratch. We propose to use three well-known CNN pre-trained (DenseNet169, MobileNetV2 and Vision Transformer) using the ImageNet database. Then, these models are trained on the chest X-ray data set using fine-tuning. Finally, the results are obtained by combining the extracted features from these three models during the experimental phase. The proposed EL approach outperforms other existing state-of-the-art methods, and it obtains an accuracy of 93.91% and a F1-Score of 93.88% on the testing phase.

Modeling non-genetic information dynamics in cells using reservoir computing. (arXiv:2312.07977v1 [q-bio.CB])

Authors: Dipesh Niraula (1), Issam El Naqa (1), Jack Adam Tuszynski (2), Robert A. Gatenby (3) ((1) Department of Machine Learning, Moffitt Cancer Center, Tampa, FL, USA (2) Departments of Physics and Oncology, University of Alberta, Edmonton, AB, CAN (3) Departments of Radiology and Integrated Mathematical Oncology, Moffitt Cancer Center, Tampa, FL, USA)

Virtually all cells use energy and ion-specific membrane pumps to maintain large transmembrane gradients of Na$^+$, K$^+$, Cl$^-$, Mg$^{++}$, and Ca$^{++}$. Although they consume up to 1/3 of a cell's energy budget, the corresponding evolutionary benefit of transmembrane ion gradients remain unclear. Here, we propose that ion gradients enable a dynamic and versatile biological system that acquires, analyzes, and responds to environmental information. We hypothesize environmental signals are transmitted into the cell by ion fluxes along pre-existing gradients through gated ion-specific membrane channels. The consequent changes of cytoplasmic ion concentration can generate a local response and orchestrate global or regional responses through wire-like ion fluxes along pre-existing and self-assembling cytoskeleton to engage the endoplasmic reticulum, mitochondria, and nucleus.

Here, we frame our hypothesis through a quasi-physical (Cell-Reservoir) model that treats intra-cellular ion-based information dynamics as a sub-cellular process permitting spatiotemporally resolved cellular response that is also capable of learning complex nonlinear dynamical cellular behavior. We demonstrate the proposed ion dynamics permits rapid dissemination of response to information extrinsic perturbations that is consistent with experimental observations.

SLJP: Semantic Extraction based Legal Judgment Prediction. (arXiv:2312.07979v1 [cs.CL])

Authors: Prameela Madambakam, Shathanaa Rajmohan, Himangshu Sharma, Tummepalli Anka Chandrahas Purushotham Gupta

Legal Judgment Prediction (LJP) is a judicial assistance system that recommends the legal components such as applicable statues, prison term and penalty term by analyzing the given input case document. Indian legal system is in the need of technical assistance such as artificial intelligence to solve the crores of pending cases in various courts for years and its being increased day to day. Most of the existing Indian models did not adequately concentrate on the semantics embedded in the fact description (FD) that impacts the decision. The proposed semantic extraction based LJP (SLJP) model provides the advantages of pretrained transformers for complex unstructured legal case document understanding and to generate embeddings. The model draws the in-depth semantics of the given FD at multiple levels i.e., chunk and case document level by following the divide and conquer approach. It creates the concise view of the given fact description using the extracted semantics as per the original court case document structure and predicts judgment using attention mechanism. We tested the model performance on two available Indian datasets Indian Legal Documents corpus (ILDC) and Indian Legal Statue Identification (ILSI) and got promising results. Also shown the highest performance and less performance degradation for increased epochs than base models on ILDC dataset.

Time Series Diffusion Method: A Denoising Diffusion Probabilistic Model for Vibration Signal Generation. (arXiv:2312.07981v1 [cs.LG])

Authors: Haiming Yi, Lei Hou, Yuhong Jin, Nasser A. Saeed

Diffusion models have demonstrated robust data generation capabilities in various research fields. In this paper, a Time Series Diffusion Method (TSDM) is proposed for vibration signal generation, leveraging the foundational principles of diffusion models. The TSDM uses an improved U-net architecture with attention block to effectively segment and extract features from one-dimensional time series data. It operates based on forward diffusion and reverse denoising processes for time-series generation. Experimental validation is conducted using single-frequency, multi-frequency datasets, and bearing fault datasets. The results show that TSDM can accurately generate the single-frequency and multi-frequency features in the time series and retain the basic frequency features for the diffusion generation results of the bearing fault series. Finally, TSDM is applied to the small sample fault diagnosis of three public bearing fault datasets, and the results show that the accuracy of small sample fault diagnosis of the three datasets is improved by 32.380%, 18.355% and 9.298% at most, respectively

Multi-perspective Feedback-attention Coupling Model for Continuous-time Dynamic Graphs. (arXiv:2312.07983v1 [cs.LG])

Authors: Xiaobo Zhu, Yan Wu, Zhipeng Li, Hailong Su, Jin Che, Zhanheng Chen, Liying Wang

Recently, representation learning over graph networks has gained popularity, with various models showing promising results. Despite this, several challenges persist: 1) most methods are designed for static or discrete-time dynamic graphs; 2) existing continuous-time dynamic graph algorithms focus on a single evolving perspective; and 3) many continuous-time dynamic graph approaches necessitate numerous temporal neighbors to capture long-term dependencies. In response, this paper introduces the Multi-Perspective Feedback-Attention Coupling (MPFA) model. MPFA incorporates information from both evolving and raw perspectives, efficiently learning the interleaved dynamics of observed processes. The evolving perspective employs temporal self-attention to distinguish continuously evolving temporal neighbors for information aggregation. Through dynamic updates, this perspective can capture long-term dependencies using a small number of temporal neighbors. Meanwhile, the raw perspective utilizes a feedback attention module with growth characteristic coefficients to aggregate raw neighborhood information. Experimental results on a self-organizing dataset and seven public datasets validate the efficacy and competitiveness of our proposed model.

SwitchHead: Accelerating Transformers with Mixture-of-Experts Attention. (arXiv:2312.07987v1 [cs.LG])

Authors: Róbert Csordás, Piotr Piękos, Kazuki Irie

The costly self-attention layers in modern Transformers require memory and compute quadratic in sequence length. Existing approximation methods usually underperform and fail to obtain significant speedups in practice. Here we present SwitchHead - a novel method that reduces both compute and memory requirements and achieves wall-clock speedup, while matching the language modeling performance of baseline Transformers with the same parameter budget. SwitchHead uses Mixture-of-Experts (MoE) layers for the value and output projections and requires 4 to 8 times fewer attention matrices than standard Transformers. Our novel attention can also be combined with MoE MLP layers, resulting in an efficient fully-MoE "SwitchHead" Transformer model. Our code is public.

Accelerating the Global Aggregation of Local Explanations. (arXiv:2312.07991v1 [cs.LG])

Authors: Alon Mor, Yonatan Belinkov, Benny Kimelfeld

Local explanation methods highlight the input tokens that have a considerable impact on the outcome of classifying the document at hand. For example, the Anchor algorithm applies a statistical analysis of the sensitivity of the classifier to changes in the token. Aggregating local explanations over a dataset provides a global explanation of the model. Such aggregation aims to detect words with the most impact, giving valuable insights about the model, like what it has learned in training and which adversarial examples expose its weaknesses. However, standard aggregation methods bear a high computational cost: a na\"ive implementation applies a costly algorithm to each token of each document, and hence, it is infeasible for a simple user running in the scope of a short analysis session. % We devise techniques for accelerating the global aggregation of the Anchor algorithm. Specifically, our goal is to compute a set of top-$k$ words with the highest global impact according to different aggregation functions. Some of our techniques are lossless and some are lossy. We show that for a very mild loss of quality, we are able to accelerate the computation by up to 30$\times$, reducing the computation from hours to minutes. We also devise and study a probabilistic model that accounts for noise in the Anchor algorithm and diminishes the bias toward words that are frequent yet low in impact.

Learning Nash Equilibria in Zero-Sum Markov Games: A Single Time-scale Algorithm Under Weak Reachability. (arXiv:2312.08008v1 [cs.GT])

Authors: Reda Ouhamma, Maryam Kamgarpour

We consider decentralized learning for zero-sum games, where players only see their payoff information and are agnostic to actions and payoffs of the opponent. Previous works demonstrated convergence to a Nash equilibrium in this setting using double time-scale algorithms under strong reachability assumptions. We address the open problem of achieving an approximate Nash equilibrium efficiently with an uncoupled and single time-scale algorithm under weaker conditions. Our contribution is a rational and convergent algorithm, utilizing Tsallis-entropy regularization in a value-iteration-based approach. The algorithm learns an approximate Nash equilibrium in polynomial time, requiring only the existence of a policy pair that induces an irreducible and aperiodic Markov chain, thus considerably weakening past assumptions. Our analysis leverages negative drift inequalities and introduces novel properties of Tsallis entropy that are of independent interest.

EZ-CLIP: Efficient Zeroshot Video Action Recognition. (arXiv:2312.08010v1 [cs.CV])

Authors: Shahzad Ahmad, Sukalpa Chanda, Yogesh S Rawat

Recent advancements in large-scale pre-training of visual-language models on paired image-text data have demonstrated impressive generalization capabilities for zero-shot tasks. Building on this success, efforts have been made to adapt these image-based visual-language models, such as CLIP, for videos extending their zero-shot capabilities to the video domain. While these adaptations have shown promising results, they come at a significant computational cost and struggle with effectively modeling the crucial temporal aspects inherent to the video domain. In this study, we present EZ-CLIP, a simple and efficient adaptation of CLIP that addresses these challenges. EZ-CLIP leverages temporal visual prompting for seamless temporal adaptation, requiring no fundamental alterations to the core CLIP architecture while preserving its remarkable generalization abilities. Moreover, we introduce a novel learning objective that guides the temporal visual prompts to focus on capturing motion, thereby enhancing its learning capabilities from video data. We conducted extensive experiments on five different benchmark datasets, thoroughly evaluating EZ-CLIP for zero-shot learning and base-to-novel video action recognition, and also demonstrating its potential for few-shot generalization.Impressively, with a mere 5.2 million learnable parameters (as opposed to the 71.1 million in the prior best model), EZ-CLIP can be efficiently trained on a single GPU, outperforming existing approaches in several evaluations.

Secure Deep Reinforcement Learning for Dynamic Resource Allocation in Wireless MEC Networks. (arXiv:2312.08016v1 [cs.LG])

Authors: Xin Hao, Phee Lep Yeoh, Changyang She, Branka Vucetic, Yonghui Li

This paper proposes a blockchain-secured deep reinforcement learning (BC-DRL) optimization framework for {data management and} resource allocation in decentralized {wireless mobile edge computing (MEC)} networks. In our framework, {we design a low-latency reputation-based proof-of-stake (RPoS) consensus protocol to select highly reliable blockchain-enabled BSs to securely store MEC user requests and prevent data tampering attacks.} {We formulate the MEC resource allocation optimization as a constrained Markov decision process that balances minimum processing latency and denial-of-service (DoS) probability}. {We use the MEC aggregated features as the DRL input to significantly reduce the high-dimensionality input of the remaining service processing time for individual MEC requests. Our designed constrained DRL effectively attains the optimal resource allocations that are adapted to the dynamic DoS requirements. We provide extensive simulation results and analysis to} validate that our BC-DRL framework achieves higher security, reliability, and resource utilization efficiency than benchmark blockchain consensus protocols and {MEC} resource allocation algorithms.

Improving search relevance of Azure Cognitive Search by Bayesian optimization. (arXiv:2312.08021v1 [cs.IR])

Authors: Nitin Agarwal, Ashish Kumar, Kiran R, Manish Gupta, Laurent Boué

Azure Cognitive Search (ACS) has emerged as a major contender in "Search as a Service" cloud products in recent years. However, one of the major challenges for ACS users is to improve the relevance of the search results for their specific usecases. In this paper, we propose a novel method to find the optimal ACS configuration that maximizes search relevance for a specific usecase (product search, document search...) The proposed solution improves key online marketplace metrics such as click through rates (CTR) by formulating the search relevance problem as hyperparameter tuning. We have observed significant improvements in real-world search call to action (CTA) rate in multiple marketplaces by introducing optimized weights generated from the proposed approach.

ClusterDDPM: An EM clustering framework with Denoising Diffusion Probabilistic Models. (arXiv:2312.08029v1 [cs.LG])

Authors: Jie Yan, Jing Liu, Zhong-yuan Zhang

Variational autoencoder (VAE) and generative adversarial networks (GAN) have found widespread applications in clustering and have achieved significant success. However, the potential of these approaches may be limited due to VAE's mediocre generation capability or GAN's well-known instability during adversarial training. In contrast, denoising diffusion probabilistic models (DDPMs) represent a new and promising class of generative models that may unlock fresh dimensions in clustering. In this study, we introduce an innovative expectation-maximization (EM) framework for clustering using DDPMs. In the E-step, we aim to derive a mixture of Gaussian priors for the subsequent M-step. In the M-step, our focus lies in learning clustering-friendly latent representations for the data by employing the conditional DDPM and matching the distribution of latent representations to the mixture of Gaussian priors. We present a rigorous theoretical analysis of the optimization process in the M-step, proving that the optimizations are equivalent to maximizing the lower bound of the Q function within the vanilla EM framework under certain constraints. Comprehensive experiments validate the advantages of the proposed framework, showcasing superior performance in clustering, unsupervised conditional generation and latent representation learning.

Beyond Top-Class Agreement: Using Divergences to Forecast Performance under Distribution Shift. (arXiv:2312.08033v1 [cs.LG])

Authors: Mona Schirmer, Dan Zhang, Eric Nalisnick

Knowing if a model will generalize to data 'in the wild' is crucial for safe deployment. To this end, we study model disagreement notions that consider the full predictive distribution - specifically disagreement based on Hellinger distance, Jensen-Shannon and Kullback-Leibler divergence. We find that divergence-based scores provide better test error estimates and detection rates on out-of-distribution data compared to their top-1 counterparts. Experiments involve standard vision and foundation models.

Individualized Deepfake Detection Exploiting Traces Due to Double Neural-Network Operations. (arXiv:2312.08034v1 [eess.IV])

Authors: Mushfiqur Rahman, Runze Liu, Chau-Wai Wong, Huaiyu Dai

In today's digital landscape, journalists urgently require tools to verify the authenticity of facial images and videos depicting specific public figures before incorporating them into news stories. Existing deepfake detectors are not optimized for this detection task when an image is associated with a specific and identifiable individual. This study focuses on the deepfake detection of facial images of individual public figures. We propose to condition the proposed detector on the identity of the identified individual given the advantages revealed by our theory-driven simulations. While most detectors in the literature rely on perceptible or imperceptible artifacts present in deepfake facial images, we demonstrate that the detection performance can be improved by exploiting the idempotency property of neural networks. In our approach, the training process involves double neural-network operations where we pass an authentic image through a deepfake simulating network twice. Experimental results show that the proposed method improves the area under the curve (AUC) from 0.92 to 0.94 and reduces its standard deviation by 17\%. For evaluating the detection performance of individual public figures, a facial image dataset with individuals' names is required, a criterion not met by the current deepfake datasets. To address this, we curated a dataset comprising 32k images featuring 45 public figures, which we intend to release to the public after the paper is published.

Explainable Trajectory Representation through Dictionary Learning. (arXiv:2312.08052v1 [cs.LG])

Authors: Yuanbo Tang, Zhiyuan Peng, Yang Li

Trajectory representation learning on a network enhances our understanding of vehicular traffic patterns and benefits numerous downstream applications. Existing approaches using classic machine learning or deep learning embed trajectories as dense vectors, which lack interpretability and are inefficient to store and analyze in downstream tasks. In this paper, an explainable trajectory representation learning framework through dictionary learning is proposed. Given a collection of trajectories on a network, it extracts a compact dictionary of commonly used subpaths called "pathlets", which optimally reconstruct each trajectory by simple concatenations. The resulting representation is naturally sparse and encodes strong spatial semantics. Theoretical analysis of our proposed algorithm is conducted to provide a probabilistic bound on the estimation error of the optimal dictionary. A hierarchical dictionary learning scheme is also proposed to ensure the algorithm's scalability on large networks, leading to a multi-scale trajectory representation. Our framework is evaluated on two large-scale real-world taxi datasets. Compared to previous work, the dictionary learned by our method is more compact and has better reconstruction rate for new trajectories. We also demonstrate the promising performance of this method in downstream tasks including trip time prediction task and data compression.

Kimad: Adaptive Gradient Compression with Bandwidth Awareness. (arXiv:2312.08053v1 [cs.LG])

Authors: Jihao Xin, Ivan Ilin, Shunkang Zhang, Marco Canini, Peter Richtárik

In distributed training, communication often emerges as a bottleneck. In response, we introduce Kimad, a solution that offers adaptive gradient compression. By consistently monitoring bandwidth, Kimad refines compression ratios to match specific neural network layer requirements. Our exhaustive tests and proofs confirm Kimad's outstanding performance, establishing it as a benchmark in adaptive compression for distributed deep learning.

Breaking the Silence: the Threats of Using LLMs in Software Engineering. (arXiv:2312.08055v1 [cs.SE])

Authors: June Sallou, Thomas Durieux, Annibale Panichella

Large Language Models (LLMs) have gained considerable traction within the Software Engineering (SE) community, impacting various SE tasks from code completion to test generation, from program repair to code summarization. Despite their promise, researchers must still be careful as numerous intricate factors can influence the outcomes of experiments involving LLMs. This paper initiates an open discussion on potential threats to the validity of LLM-based research including issues such as closed-source models, possible data leakage between LLM training data and research evaluation, and the reproducibility of LLM-based findings. In response, this paper proposes a set of guidelines tailored for SE researchers and Language Model (LM) providers to mitigate these concerns. The implications of the guidelines are illustrated using existing good practices followed by LLM providers and a practical example for SE researchers in the context of test case generation.

Combinatorial Stochastic-Greedy Bandit. (arXiv:2312.08057v1 [cs.LG])

Authors: Fares Fourati, Christopher John Quinn, Mohamed-Slim Alouini, Vaneet Aggarwal

We propose a novel combinatorial stochastic-greedy bandit (SGB) algorithm for combinatorial multi-armed bandit problems when no extra information other than the joint reward of the selected set of $n$ arms at each time step $t\in [T]$ is observed. SGB adopts an optimized stochastic-explore-then-commit approach and is specifically designed for scenarios with a large set of base arms. Unlike existing methods that explore the entire set of unselected base arms during each selection step, our SGB algorithm samples only an optimized proportion of unselected arms and selects actions from this subset. We prove that our algorithm achieves a $(1-1/e)$-regret bound of $\mathcal{O}(n^{\frac{1}{3}} k^{\frac{2}{3}} T^{\frac{2}{3}} \log(T)^{\frac{2}{3}})$ for monotone stochastic submodular rewards, which outperforms the state-of-the-art in terms of the cardinality constraint $k$. Furthermore, we empirically evaluate the performance of our algorithm in the context of online constrained social influence maximization. Our results demonstrate that our proposed approach consistently outperforms the other algorithms, increasing the performance gap as $k$ grows.

Estimation of Concept Explanations Should be Uncertainty Aware. (arXiv:2312.08063v1 [cs.LG])

Authors: Vihari Piratla, Juyeon Heo, Sukriti Singh, Adrian Weller

Model explanations are very valuable for interpreting and debugging prediction models. We study a specific kind of global explanations called Concept Explanations, where the goal is to interpret a model using human-understandable concepts. Recent advances in multi-modal learning rekindled interest in concept explanations and led to several label-efficient proposals for estimation. However, existing estimation methods are unstable to the choice of concepts or dataset that is used for computing explanations. We observe that instability in explanations is due to high variance in point estimation of importance scores. We propose an uncertainty aware Bayesian estimation method, which readily improved reliability of the concept explanations. We demonstrate with theoretical analysis and empirical evaluation that explanations computed by our method are more reliable while also being label-efficient and faithful.

A Novel Metric for Measuring Data Quality in Classification Applications (extended version). (arXiv:2312.08066v1 [cs.LG])

Authors: Jouseau Roxane, Salva Sébastien, Samir Chafik

Data quality is a key element for building and optimizing good learning models. Despite many attempts to characterize data quality, there is still a need for rigorous formalization and an efficient measure of the quality from available observations. Indeed, without a clear understanding of the training and testing processes, it is hard to evaluate the intrinsic performance of a model. Besides, tools allowing to measure data quality specific to machine learning are still lacking. In this paper, we introduce and explain a novel metric to measure data quality. This metric is based on the correlated evolution between the classification performance and the deterioration of data. The proposed method has the major advantage of being model-independent. Furthermore, we provide an interpretation of each criterion and examples of assessment levels. We confirm the utility of the proposed metric with intensive numerical experiments and detail some illustrative cases with controlled and interpretable qualities.

TERM Model: Tensor Ring Mixture Model for Density Estimation. (arXiv:2312.08075v1 [cs.LG])

Authors: Ruituo Wu, Jiani Liu, Ce Zhu, Anh-Huy Phan, Ivan V. Oseledets, Yipeng Liu

Efficient probability density estimation is a core challenge in statistical machine learning. Tensor-based probabilistic graph methods address interpretability and stability concerns encountered in neural network approaches. However, a substantial number of potential tensor permutations can lead to a tensor network with the same structure but varying expressive capabilities. In this paper, we take tensor ring decomposition for density estimator, which significantly reduces the number of permutation candidates while enhancing expressive capability compared with existing used decompositions. Additionally, a mixture model that incorporates multiple permutation candidates with adaptive weights is further designed, resulting in increased expressive flexibility and comprehensiveness. Different from the prevailing directions of tensor network structure/permutation search, our approach provides a new viewpoint inspired by ensemble learning. This approach acknowledges that suboptimal permutations can offer distinctive information besides that of optimal permutations. Experiments show the superiority of the proposed approach in estimating probability density for moderately dimensional datasets and sampling to capture intricate details.

Training of Neural Networks with Uncertain Data, A Mixture of Experts Approach. (arXiv:2312.08083v1 [stat.ML])

Authors: Lucas Luttner

This paper presents the "Uncertainty-aware Mixture of Experts" (uMoE), a novel approach designed to address aleatoric uncertainty in the training of predictive models based on Neural Networks (NNs). While existing methods primarily focus on managing uncertainty during infer-ence, uMoE integrates uncertainty directly into the train-ing process. The uMoE approach adopts a "Divide and Conquer" paradigm to partition the uncertain input space into more manageable subspaces. It consists of Expert components, each trained solely on the portion of input uncertainty corresponding to their subspace. On top of the Experts, a Gating Unit, guided by additional infor-mation about the distribution of uncertain inputs across these subspaces, learns to weight the Experts to minimize deviations from the ground truth. Our results highlight that uMoE significantly outperforms baseline methods in handling data uncertainty. Furthermore, we conducted a robustness analysis, illustrating its capability to adapt to varying levels of uncertainty and suggesting optimal threshold parameters. This innovative approach holds wide applicability across diverse data-driven domains, in-cluding biomedical signal processing, autonomous driv-ing, and production quality control.

An Incentive Mechanism for Federated Learning Based on Multiple Resource Exchange. (arXiv:2312.08096v1 [cs.LG])

Authors: Ruonan Dong, Hui Xu, Han Zhang, GuoPeng Zhang

Federated Learning (FL) is a distributed machine learning paradigm that addresses privacy concerns in machine learning and still guarantees high test accuracy. However, achieving the necessary accuracy by having all clients participate in FL is impractical, given the constraints of client local computing resource. In this paper, we introduce a multi-user collaborative computing framework, categorizing users into two roles: model owners (MOs) and data owner (DOs). Without resorting to monetary incentives, an MO can encourage more DOs to join in FL by allowing the DOs to offload extra local computing tasks to the MO for execution. This exchange of "data" for "computing resources" streamlines the incentives for clients to engage more effectively in FL. We formulate the interaction between MO and DOs as an optimization problem, and the objective is to effectively utilize the communication and computing resource of the MO and DOs to minimize the time to complete an FL task. The proposed problem is a mixed integer nonlinear programming (MINLP) with high computational complexity. We first decompose it into two distinct subproblems, namely the client selection problem and the resource allocation problem to segregate the integer variables from the continuous variables. Then, an effective iterative algorithm is proposed to solve problem. Simulation results demonstrate that the proposed collaborative computing framework can achieve an accuracy of more than 95\% while minimizing the overall time to complete an FL task.

Machine Learning for the Multi-Dimensional Bin Packing Problem: Literature Review and Empirical Evaluation. (arXiv:2312.08103v1 [cs.LG])

Authors: Wenjie Wu, Changjun Fan, Jincai Huang, Zhong Liu, Junchi Yan

The Bin Packing Problem (BPP) is a well-established combinatorial optimization (CO) problem. Since it has many applications in our daily life, e.g. logistics and resource allocation, people are seeking efficient bin packing algorithms. On the other hand, researchers have been making constant advances in machine learning (ML), which is famous for its efficiency. In this article, we first formulate BPP, introducing its variants and practical constraints. Then, a comprehensive survey on ML for multi-dimensional BPP is provided. We further collect some public benchmarks of 3D BPP, and evaluate some online methods on the Cutting Stock Dataset. Finally, we share our perspective on challenges and future directions in BPP. To the best of our knowledge, this is the first systematic review of ML-related methods for BPP.

Causal Optimal Transport of Abstractions. (arXiv:2312.08107v1 [cs.LG])

Authors: Yorgos Felekis, Fabio Massimo Zennaro, Nicola Branchini, Theodoros Damoulas

Causal abstraction (CA) theory establishes formal criteria for relating multiple structural causal models (SCMs) at different levels of granularity by defining maps between them. These maps have significant relevance for real-world challenges such as synthesizing causal evidence from multiple experimental environments, learning causally consistent representations at different resolutions, and linking interventions across multiple SCMs. In this work, we propose COTA, the first method to learn abstraction maps from observational and interventional data without assuming complete knowledge of the underlying SCMs. In particular, we introduce a multi-marginal Optimal Transport (OT) formulation that enforces do-calculus causal constraints, together with a cost function that relies on interventional information. We extensively evaluate COTA on synthetic and real world problems, and showcase its advantages over non-causal, independent and aggregated COTA formulations. Finally, we demonstrate the efficiency of our method as a data augmentation tool by comparing it against the state-of-the-art CA learning framework, which assumes fully specified SCMs, on a real-world downstream task.

Ultra Low Complexity Deep Learning Based Noise Suppression. (arXiv:2312.08132v1 [eess.AS])

Authors: Shrishti Saha Shetu, Soumitro Chakrabarty, Oliver Thiergart, Edwin Mabande

This paper introduces an innovative method for reducing the computational complexity of deep neural networks in real-time speech enhancement on resource-constrained devices. The proposed approach utilizes a two-stage processing framework, employing channelwise feature reorientation to reduce the computational load of convolutional operations. By combining this with a modified power law compression technique for enhanced perceptual quality, this approach achieves noise suppression performance comparable to state-of-the-art methods with significantly less computational requirements. Notably, our algorithm exhibits 3 to 4 times less computational complexity and memory usage than prior state-of-the-art approaches.

A New Perspective On Denoising Based On Optimal Transport. (arXiv:2312.08135v1 [math.ST])

Authors: Nicolas Garcia Trillos, Bodhisattva Sen

In the standard formulation of the denoising problem, one is given a probabilistic model relating a latent variable $\Theta \in \Omega \subset \mathbb{R}^m \; (m\ge 1)$ and an observation $Z \in \mathbb{R}^d$ according to: $Z \mid \Theta \sim p(\cdot\mid \Theta)$ and $\Theta \sim G^*$, and the goal is to construct a map to recover the latent variable from the observation. The posterior mean, a natural candidate for estimating $\Theta$ from $Z$, attains the minimum Bayes risk (under the squared error loss) but at the expense of over-shrinking the $Z$, and in general may fail to capture the geometric features of the prior distribution $G^*$ (e.g., low dimensionality, discreteness, sparsity, etc.). To rectify these drawbacks, in this paper we take a new perspective on this denoising problem that is inspired by optimal transport (OT) theory and use it to propose a new OT-based denoiser at the population level setting. We rigorously prove that, under general assumptions on the model, our OT-based denoiser is well-defined and unique, and is closely connected to solutions to a Monge OT problem. We then prove that, under appropriate identifiability assumptions on the model, our OT-based denoiser can be recovered solely from information of the marginal distribution of $Z$ and the posterior mean of the model, after solving a linear relaxation problem over a suitable space of couplings that is reminiscent of a standard multimarginal OT (MOT) problem. In particular, thanks to Tweedie's formula, when the likelihood model $\{ p(\cdot \mid \theta) \}_{\theta \in \Omega}$ is an exponential family of distributions, the OT-based denoiser can be recovered solely from the marginal distribution of $Z$. In general, our family of OT-like relaxations is of interest in its own right and for the denoising problem suggests alternative numerical methods inspired by the rich literature on computational OT.

Efficient Representation of the Activation Space in Deep Neural Networks. (arXiv:2312.08143v1 [cs.LG])

Authors: Tanya Akumu, Celia Cintas, Girmaw Abebe Tadesse, Adebayo Oshingbesan, Skyler Speakman, Edward McFowland III

The representations of the activation space of deep neural networks (DNNs) are widely utilized for tasks like natural language processing, anomaly detection and speech recognition. Due to the diverse nature of these tasks and the large size of DNNs, an efficient and task-independent representation of activations becomes crucial. Empirical p-values have been used to quantify the relative strength of an observed node activation compared to activations created by already-known inputs. Nonetheless, keeping raw data for these calculations increases memory resource consumption and raises privacy concerns. To this end, we propose a model-agnostic framework for creating representations of activations in DNNs using node-specific histograms to compute p-values of observed activations without retaining already-known inputs. Our proposed approach demonstrates promising potential when validated with multiple network architectures across various downstream tasks and compared with the kernel density estimates and brute-force empirical baselines. In addition, the framework reduces memory usage by 30% with up to 4 times faster p-value computing time while maintaining state of-the-art detection power in downstream tasks such as the detection of adversarial attacks and synthesized content. Moreover, as we do not persist raw data at inference time, we could potentially reduce susceptibility to attacks and privacy issues.

Active learning with biased non-response to label requests. (arXiv:2312.08150v1 [cs.LG])

Authors: Thomas Robinson, Niek Tax, Richard Mudd, Ido Guy

Active learning can improve the efficiency of training prediction models by identifying the most informative new labels to acquire. However, non-response to label requests can impact active learning's effectiveness in real-world contexts. We conceptualise this degradation by considering the type of non-response present in the data, demonstrating that biased non-response is particularly detrimental to model performance. We argue that this sort of non-response is particularly likely in contexts where the labelling process, by nature, relies on user interactions. To mitigate the impact of biased non-response, we propose a cost-based correction to the sampling strategy--the Upper Confidence Bound of the Expected Utility (UCB-EU)--that can, plausibly, be applied to any active learning algorithm. Through experiments, we demonstrate that our method successfully reduces the harm from labelling non-response in many settings. However, we also characterise settings where the non-response bias in the annotations remains detrimental under UCB-EU for particular sampling methods and data generating processes. Finally, we evaluate our method on a real-world dataset from e-commerce platform Taobao. We show that UCB-EU yields substantial performance improvements to conversion models that are trained on clicked impressions. Most generally, this research serves to both better conceptualise the interplay between types of non-response and model improvements via active learning, and to provide a practical, easy to implement correction that helps mitigate model degradation.

$\rho$-Diffusion: A diffusion-based density estimation framework for computational physics. (arXiv:2312.08153v1 [physics.comp-ph])

Authors: Maxwell X. Cai, Kin Long Kelvin Lee

In physics, density $\rho(\cdot)$ is a fundamentally important scalar function to model, since it describes a scalar field or a probability density function that governs a physical process. Modeling $\rho(\cdot)$ typically scales poorly with parameter space, however, and quickly becomes prohibitively difficult and computationally expensive. One promising avenue to bypass this is to leverage the capabilities of denoising diffusion models often used in high-fidelity image generation to parameterize $\rho(\cdot)$ from existing scientific data, from which new samples can be trivially sampled from. In this paper, we propose $\rho$-Diffusion, an implementation of denoising diffusion probabilistic models for multidimensional density estimation in physics, which is currently in active development and, from our results, performs well on physically motivated 2D and 3D density functions. Moreover, we propose a novel hashing technique that allows $\rho$-Diffusion to be conditioned by arbitrary amounts of physical parameters of interest.

Double Machine Learning for Static Panel Models with Fixed Effects. (arXiv:2312.08174v1 [econ.EM])

Authors: Paul Clarke, Annalivia Polselli

Machine Learning (ML) algorithms are powerful data-driven tools for approximating high-dimensional or non-linear nuisance functions which are useful in practice because the true functional form of the predictors is ex-ante unknown. In this paper, we develop estimators of policy interventions from panel data which allow for non-linear effects of the confounding regressors, and investigate the performance of these estimators using three well-known ML algorithms, specifically, LASSO, classification and regression trees, and random forests. We use Double Machine Learning (DML) (Chernozhukov et al., 2018) for the estimation of causal effects of homogeneous treatments with unobserved individual heterogeneity (fixed effects) and no unobserved confounding by extending Robinson (1988)'s partially linear regression model. We develop three alternative approaches for handling unobserved individual heterogeneity based on extending the within-group estimator, first-difference estimator, and correlated random effect estimator (Mundlak, 1978) for non-linear models. Using Monte Carlo simulations, we find that conventional least squares estimators can perform well even if the data generating process is non-linear, but there are substantial performance gains in terms of bias reduction under a process where the true effect of the regressors is non-linear and discontinuous. However, for the same scenarios, we also find -- despite extensive hyperparameter tuning -- inference to be problematic for both tree-based learners because these lead to highly non-normal estimator distributions and the estimator variance being severely under-estimated. This contradicts the performance of trees in other circumstances and requires further investigation. Finally, we provide an illustrative example of DML for observational panel data showing the impact of the introduction of the national minimum wage in the UK.

Universal Adversarial Framework to Improve Adversarial Robustness for Diabetic Retinopathy Detection. (arXiv:2312.08193v1 [eess.IV])

Authors: Samrat Mukherjee, Dibyanayan Bandyopadhyay, Baban Gain, Asif Ekbal

Diabetic Retinopathy (DR) is a prevalent illness associated with Diabetes which, if left untreated, can result in irreversible blindness. Deep Learning based systems are gradually being introduced as automated support for clinical diagnosis. Since healthcare has always been an extremely important domain demanding error-free performance, any adversaries could pose a big threat to the applicability of such systems. In this work, we use Universal Adversarial Perturbations (UAPs) to quantify the vulnerability of Medical Deep Neural Networks (DNNs) for detecting DR. To the best of our knowledge, this is the very first attempt that works on attacking complete fine-grained classification of DR images using various UAPs. Also, as a part of this work, we use UAPs to fine-tune the trained models to defend against adversarial samples. We experiment on several models and observe that the performance of such models towards unseen adversarial attacks gets boosted on average by $3.41$ Cohen-kappa value and maximum by $31.92$ Cohen-kappa value. The performance degradation on normal data upon ensembling the fine-tuned models was found to be statistically insignificant using t-test, highlighting the benefits of UAP-based adversarial fine-tuning.

SVInvNet: A Densely Connected Encoder-Decoder Architecture for Seismic Velocity Inversion. (arXiv:2312.08194v1 [cs.LG])

Authors: Mojtaba Najafi Khatounabad, Hacer Yalim Keles, Selma Kadioglu

This study presents a deep learning-based approach to seismic velocity inversion problem, focusing on both noisy and noiseless training datasets of varying sizes. Our Seismic Velocity Inversion Network (SVInvNet) introduces a novel architecture that contains a multi-connection encoder-decoder structure enhanced with dense blocks. This design is specifically tuned to effectively process complex information, crucial for addressing the challenges of non-linear seismic velocity inversion. For training and testing, we created diverse seismic velocity models, including multi-layered, faulty, and salt dome categories. We also investigated how different kinds of ambient noise, both coherent and stochastic, and the size of the training dataset affect learning outcomes. SVInvNet is trained on datasets ranging from 750 to 6,000 samples and is tested using a large benchmark dataset of 12,000 samples. Despite its fewer parameters compared to the baseline, SVInvNet achieves superior performance with this dataset. The outcomes of the SVInvNet are additionally compared to those of the Full Waveform Inversion (FWI) method. The comparative analysis clearly reveals the effectiveness of the proposed model.

SPD-DDPM: Denoising Diffusion Probabilistic Models in the Symmetric Positive Definite Space. (arXiv:2312.08200v1 [cs.LG])

Authors: Yunchen Li, Zhou Yu, Gaoqi He, Yunhang Shen, Ke Li, Xing Sun, Shaohui Lin

Symmetric positive definite~(SPD) matrices have shown important value and applications in statistics and machine learning, such as FMRI analysis and traffic prediction. Previous works on SPD matrices mostly focus on discriminative models, where predictions are made directly on $E(X|y)$, where $y$ is a vector and $X$ is an SPD matrix. However, these methods are challenging to handle for large-scale data, as they need to access and process the whole data. In this paper, inspired by denoising diffusion probabilistic model~(DDPM), we propose a novel generative model, termed SPD-DDPM, by introducing Gaussian distribution in the SPD space to estimate $E(X|y)$. Moreover, our model is able to estimate $p(X)$ unconditionally and flexibly without giving $y$. On the one hand, the model conditionally learns $p(X|y)$ and utilizes the mean of samples to obtain $E(X|y)$ as a prediction. On the other hand, the model unconditionally learns the probability distribution of the data $p(X)$ and generates samples that conform to this distribution. Furthermore, we propose a new SPD net which is much deeper than the previous networks and allows for the inclusion of conditional factors. Experiment results on toy data and real taxi data demonstrate that our models effectively fit the data distribution both unconditionally and unconditionally and provide accurate predictions.

Curriculum-Enhanced Residual Soft An-Isotropic Normalization for Over-smoothness in Deep GNNs. (arXiv:2312.08221v1 [cs.LG])

Authors: Jin Li, Qirong Zhang, Shuling Xu, Xinlong Chen, Longkun Guo, Yang-Geng Fu

Despite Graph neural networks' significant performance gain over many classic techniques in various graph-related downstream tasks, their successes are restricted in shallow models due to over-smoothness and the difficulties of optimizations among many other issues. In this paper, to alleviate the over-smoothing issue, we propose a soft graph normalization method to preserve the diversities of node embeddings and prevent indiscrimination due to possible over-closeness. Combined with residual connections, we analyze the reason why the method can effectively capture the knowledge in both input graph structures and node features even with deep networks. Additionally, inspired by Curriculum Learning that learns easy examples before the hard ones, we propose a novel label-smoothing-based learning framework to enhance the optimization of deep GNNs, which iteratively smooths labels in an auxiliary graph and constructs many gradual non-smooth tasks for extracting increasingly complex knowledge and gradually discriminating nodes from coarse to fine. The method arguably reduces the risk of overfitting and generalizes better results. Finally, extensive experiments are carried out to demonstrate the effectiveness and potential of the proposed model and learning framework through comparison with twelve existing baselines including the state-of-the-art methods on twelve real-world node classification benchmarks.

GLOP: Learning Global Partition and Local Construction for Solving Large-scale Routing Problems in Real-time. (arXiv:2312.08224v1 [cs.AI])

Authors: Haoran Ye, Jiarui Wang, Helan Liang, Zhiguang Cao, Yong Li, Fanzhang Li

The recent end-to-end neural solvers have shown promise for small-scale routing problems but suffered from limited real-time scaling-up performance. This paper proposes GLOP (Global and Local Optimization Policies), a unified hierarchical framework that efficiently scales toward large-scale routing problems. GLOP partitions large routing problems into Travelling Salesman Problems (TSPs) and TSPs into Shortest Hamiltonian Path Problems. For the first time, we hybridize non-autoregressive neural heuristics for coarse-grained problem partitions and autoregressive neural heuristics for fine-grained route constructions, leveraging the scalability of the former and the meticulousness of the latter. Experimental results show that GLOP achieves competitive and state-of-the-art real-time performance on large-scale routing problems, including TSP, ATSP, CVRP, and PCTSP.

Differentially Private Gradient Flow based on the Sliced Wasserstein Distance for Non-Parametric Generative Modeling. (arXiv:2312.08227v1 [stat.ML])

Authors: Ilana Sebag, Muni Sreenivas PYDI, Jean-Yves Franceschi, Alain Rakotomamonjy, Mike Gartrell, Jamal Atif, Alexandre Allauzen

Safeguarding privacy in sensitive training data is paramount, particularly in the context of generative modeling. This is done through either differentially private stochastic gradient descent, or with a differentially private metric for training models or generators. In this paper, we introduce a novel differentially private generative modeling approach based on parameter-free gradient flows in the space of probability measures. The proposed algorithm is a new discretized flow which operates through a particle scheme, utilizing drift derived from the sliced Wasserstein distance and computed in a private manner. Our experiments show that compared to a generator-based model, our proposed model can generate higher-fidelity data at a low privacy budget, offering a viable alternative to generator-based approaches.

Partial Symmetry Detection for 3D Geometry using Contrastive Learning with Geodesic Point Cloud Patches. (arXiv:2312.08230v1 [cs.CV])

Authors: Gregor Kobsik, Isaak Lim, Leif Kobbelt

Symmetry detection, especially partial and extrinsic symmetry, is essential for various downstream tasks, like 3D geometry completion, segmentation, compression and structure-aware shape encoding or generation. In order to detect partial extrinsic symmetries, we propose to learn rotation, reflection, translation and scale invariant local shape features for geodesic point cloud patches via contrastive learning, which are robust across multiple classes and generalize over different datasets. We show that our approach is able to extract multiple valid solutions for this ambiguous problem. Furthermore, we introduce a novel benchmark test for partial extrinsic symmetry detection to evaluate our method. Lastly, we incorporate the detected symmetries together with a region growing algorithm to demonstrate a downstream task with the goal of computing symmetry-aware partitions of 3D shapes. To our knowledge, we are the first to propose a self-supervised data-driven method for partial extrinsic symmetry detection.

OCTDL: Optical Coherence Tomography Dataset for Image-Based Deep Learning Methods. (arXiv:2312.08255v1 [eess.IV])

Authors: Mikhail Kulyabin, Aleksei Zhdanov, Anastasia Nikiforova, Andrey Stepichev, Anna Kuznetsova, Mikhail Ronkin, Vasilii Borisov, Alexander Bogachev, Sergey Korotkich, Paul A Constable, Andreas Maier

Optical coherence tomography (OCT) is a non-invasive imaging technique with extensive clinical applications in ophthalmology. OCT enables the visualization of the retinal layers, playing a vital role in the early detection and monitoring of retinal diseases. OCT uses the principle of light wave interference to create detailed images of the retinal microstructures, making it a valuable tool for diagnosing ocular conditions. This work presents an open-access OCT dataset (OCTDL) comprising over 1600 high-resolution OCT images labeled according to disease group and retinal pathology. The dataset consists of OCT records of patients with Age-related Macular Degeneration (AMD), Diabetic Macular Edema (DME), Epiretinal Membrane (ERM), Retinal Artery Occlusion (RAO), Retinal Vein Occlusion (RVO), and Vitreomacular Interface Disease (VID). The images were acquired with an Optovue Avanti RTVue XR using raster scanning protocols with dynamic scan length and image resolution. Each retinal b-scan was acquired by centering on the fovea and interpreted and cataloged by an experienced retinal specialist. In this work, we applied Deep Learning classification techniques to this new open-access dataset.

\emph{Lifted} RDT based capacity analysis of the 1-hidden layer treelike \emph{sign} perceptrons neural networks. (arXiv:2312.08257v1 [stat.ML])

Authors: Mihailo Stojnic

We consider the memorization capabilities of multilayered \emph{sign} perceptrons neural networks (SPNNs). A recent rigorous upper-bounding capacity characterization, obtained in \cite{Stojnictcmspnncaprdt23} utilizing the Random Duality Theory (RDT), demonstrated that adding neurons in a network configuration may indeed be very beneficial. Moreover, for particular \emph{treelike committee machines} (TCM) architectures with $d\leq 5$ neurons in the hidden layer, \cite{Stojnictcmspnncaprdt23} made a very first mathematically rigorous progress in over 30 years by lowering the previously best known capacity bounds of \cite{MitchDurb89}. Here, we first establish that the RDT bounds from \cite{Stojnictcmspnncaprdt23} scale as $\sim \sqrt{d}$ and can not on their own \emph{universally} (over the entire range of $d$) beat the best known $\sim \log(d)$ scaling of the bounds from \cite{MitchDurb89}. After recognizing that the progress from \cite{Stojnictcmspnncaprdt23} is therefore promising, but yet without a complete concretization, we then proceed by considering the recently developed fully lifted RDT (fl RDT) as an alternative. While the fl RDT is indeed a powerful juggernaut, it typically relies on heavy numerical evaluations. To avoid such heavy numerics, we here focus on a simplified, \emph{partially lifted}, variant and show that it allows for very neat, closed form, analytical capacity characterizations. Moreover, we obtain the concrete capacity bounds that \emph{universally} improve for \emph{any} $d$ over the best known ones of \cite{MitchDurb89}.

Kunyu: A High-Performing Global Weather Model Beyond Regression Losses. (arXiv:2312.08264v1 [eess.SP])

Authors: Zekun Ni

Over the past year, data-driven global weather forecasting has emerged as a new alternative to traditional numerical weather prediction. This innovative approach yields forecasts of comparable accuracy at a tiny fraction of computational costs. Regrettably, as far as I know, existing models exclusively rely on regression losses, producing forecasts with substantial blurring. Such blurring, although compromises practicality, enjoys an unfair advantage on evaluation metrics. In this paper, I present Kunyu, a global data-driven weather forecasting model which delivers accurate predictions across a comprehensive array of atmospheric variables at 0.35{\deg} resolution. With both regression and adversarial losses integrated in its training framework, Kunyu generates forecasts with enhanced clarity and realism. Its performance outpaces even ECMWF HRES in some aspects such as the estimation of anomaly extremes, while remaining competitive with ECMWF HRES on evaluation metrics such as RMSE and ACC. Kunyu is an important step forward in closing the utility gap between numerical and data-driven weather prediction.

On the verification of Embeddings using Hybrid Markov Logic. (arXiv:2312.08287v1 [cs.LG])

Authors: Anup Shakya, Abisha Thapa Magar, Somdeb Sarkhel, Deepak Venugopal

The standard approach to verify representations learned by Deep Neural Networks is to use them in specific tasks such as classification or regression, and measure their performance based on accuracy in such tasks. However, in many cases, we would want to verify more complex properties of a learned representation. To do this, we propose a framework based on a probabilistic first-order language, namely, Hybrid Markov Logic Networks (HMLNs) where we specify properties over embeddings mixed with symbolic domain knowledge. We present an approach to learn parameters for the properties within this framework. Further, we develop a verification method to test embeddings in this framework by encoding this task as a Mixed Integer Linear Program for which we can leverage existing state-of-the-art solvers. We illustrate verification in Graph Neural Networks, Deep Knowledge Tracing and Intelligent Tutoring Systems to demonstrate the generality of our approach.

Hybrid Sample Synthesis-based Debiasing of Classifier in Limited Data Setting. (arXiv:2312.08288v1 [cs.CV])

Authors: Piyush Arora, Pratik Mazumder

Deep learning models are known to suffer from the problem of bias, and researchers have been exploring methods to address this issue. However, most of these methods require prior knowledge of the bias and are not always practical. In this paper, we focus on a more practical setting with no prior information about the bias. Generally, in this setting, there are a large number of bias-aligned samples that cause the model to produce biased predictions and a few bias-conflicting samples that do not conform to the bias. If the training data is limited, the influence of the bias-aligned samples may become even stronger on the model predictions, and we experimentally demonstrate that existing debiasing techniques suffer severely in such cases. In this paper, we examine the effects of unknown bias in small dataset regimes and present a novel approach to mitigate this issue. The proposed approach directly addresses the issue of the extremely low occurrence of bias-conflicting samples in limited data settings through the synthesis of hybrid samples that can be used to reduce the effect of bias. We perform extensive experiments on several benchmark datasets and experimentally demonstrate the effectiveness of our proposed approach in addressing any unknown bias in the presence of limited data. Specifically, our approach outperforms the vanilla, LfF, LDD, and DebiAN debiasing methods by absolute margins of 10.39%, 9.08%, 8.07%, and 9.67% when only 10% of the Corrupted CIFAR-10 Type 1 dataset is available with a bias-conflicting sample ratio of 0.05.

PhenDiff: Revealing Invisible Phenotypes with Conditional Diffusion Models. (arXiv:2312.08290v1 [eess.IV])

Authors: Anis Bourou, Thomas Boyer, Kévin Daupin, Véronique Dubreuil, Aurélie De Thonel, Valérie Mezger, Auguste Genovesio

Over the last five years, deep generative models have gradually been adopted for various tasks in biological research. Notably, image-to-image translation methods showed to be effective in revealing subtle phenotypic cell variations otherwise invisible to the human eye. Current methods to achieve this goal mainly rely on Generative Adversarial Networks (GANs). However, these models are known to suffer from some shortcomings such as training instability and mode collapse. Furthermore, the lack of robustness to invert a real image into the latent of a trained GAN prevents flexible editing of real images. In this work, we propose PhenDiff, an image-to-image translation method based on conditional diffusion models to identify subtle phenotypes in microscopy images. We evaluate this approach on biological datasets against previous work such as CycleGAN. We show that PhenDiff outperforms this baseline in terms of quality and diversity of the generated images. We then apply this method to display invisible phenotypic changes triggered by a rare neurodevelopmental disorder on microscopy images of organoids. Altogether, we demonstrate that PhenDiff is able to perform high quality biological image-to-image translation allowing to spot subtle phenotype variations on a real image.

Inferring Atmospheric Properties of Exoplanets with Flow Matching and Neural Importance Sampling. (arXiv:2312.08295v1 [astro-ph.IM])

Authors: Timothy D. Gebhard, Jonas Wildberger, Maximilian Dax, Daniel Angerhausen, Sascha P. Quanz, Bernhard Schölkopf

Atmospheric retrievals (AR) characterize exoplanets by estimating atmospheric parameters from observed light spectra, typically by framing the task as a Bayesian inference problem. However, traditional approaches such as nested sampling are computationally expensive, thus sparking an interest in solutions based on machine learning (ML). In this ongoing work, we first explore flow matching posterior estimation (FMPE) as a new ML-based method for AR and find that, in our case, it is more accurate than neural posterior estimation (NPE), but less accurate than nested sampling. We then combine both FMPE and NPE with importance sampling, in which case both methods outperform nested sampling in terms of accuracy and simulation efficiency. Going forward, our analysis suggests that simulation-based inference with likelihood-based importance sampling provides a framework for accurate and efficient AR that may become a valuable tool not only for the analysis of observational data from existing telescopes, but also for the development of new missions and instruments.

Venn: Resource Management Across Federated Learning Jobs. (arXiv:2312.08298v1 [cs.DC])

Authors: Jiachen Liu, Fan Lai, Ding Ding, Yiwen Zhang, Mosharaf Chowdhury

In recent years, federated learning (FL) has emerged as a promising approach for machine learning (ML) and data science across distributed edge devices. With the increasing popularity of FL, resource contention between multiple FL jobs training on the same device population is increasing as well. Scheduling edge resources among multiple FL jobs is different from GPU scheduling for cloud ML because of the ephemeral nature and planetary scale of participating devices as well as the overlapping resource requirements of diverse FL jobs. Existing resource managers for FL jobs opt for random assignment of devices to FL jobs for simplicity and scalability, which leads to poor performance. In this paper, we present Venn, an FL resource manager, that efficiently schedules ephemeral, heterogeneous devices among many FL jobs, with the goal of reducing their average job completion time (JCT). Venn formulates the Intersection Resource Scheduling (IRS) problem to identify complex resource contention among multiple FL jobs. Then, Venn proposes a contention-aware scheduling heuristic to minimize the average scheduling delay. Furthermore, it proposes a resource-aware device-to-job matching heuristic that focuses on optimizing response collection time by mitigating stragglers. Our evaluation shows that, compared to the state-of-the-art FL resource managers, Venn improves the average JCT by up to 1.88X.

EquiReact: An equivariant neural network for chemical reactions. (arXiv:2312.08307v1 [physics.chem-ph])

Authors: Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Ruben Laplaza, Andreas Krause, Clemence Corminboeuf

Equivariant neural networks have considerably improved the accuracy and data-efficiency of predictions of molecular properties. Building on this success, we introduce EquiReact, an equivariant neural network to infer properties of chemical reactions, built from three-dimensional structures of reactants and products. We illustrate its competitive performance on the prediction of activation barriers on the GDB7-22-TS, Cyclo-23-TS and Proparg-21-TS datasets with different regimes according to the inclusion of atom-mapping information. We show that, compared to state-of-the-art models for reaction property prediction, EquiReact offers: (i) a flexible model with reduced sensitivity between atom-mapping regimes, (ii) better extrapolation capabilities to unseen chemistries, (iii) impressive prediction errors for datasets exhibiting subtle variations in three-dimensional geometries of reactants/products, (iv) reduced sensitivity to geometry quality and (iv) excellent data efficiency.

Distributional Preference Learning: Understanding and Accounting for Hidden Context in RLHF. (arXiv:2312.08358v1 [cs.LG])

Authors: Anand Siththaranjan, Cassidy Laidlaw, Dylan Hadfield-Menell

In practice, preference learning from human feedback depends on incomplete data with hidden context. Hidden context refers to data that affects the feedback received, but which is not represented in the data used to train a preference model. This captures common issues of data collection, such as having human annotators with varied preferences, cognitive processes that result in seemingly irrational behavior, and combining data labeled according to different criteria. We prove that standard applications of preference learning, including reinforcement learning from human feedback (RLHF), implicitly aggregate over hidden contexts according to a well-known voting rule called Borda count. We show this can produce counter-intuitive results that are very different from other methods which implicitly aggregate via expected utility. Furthermore, our analysis formalizes the way that preference learning from users with diverse values tacitly implements a social choice function. A key implication of this result is that annotators have an incentive to misreport their preferences in order to influence the learned model, leading to vulnerabilities in the deployment of RLHF. As a step towards mitigating these problems, we introduce a class of methods called distributional preference learning (DPL). DPL methods estimate a distribution of possible score values for each alternative in order to better account for hidden context. Experimental results indicate that applying DPL to RLHF for LLM chatbots identifies hidden context in the data and significantly reduces subsequent jailbreak vulnerability. Our code and data are available at https://github.com/cassidylaidlaw/hidden-context

Distributed Inference and Fine-tuning of Large Language Models Over The Internet. (arXiv:2312.08361v1 [cs.LG])

Authors: Alexander Borzunov, Max Ryabinin, Artem Chumachenko, Dmitry Baranchuk, Tim Dettmers, Younes Belkada, Pavel Samygin, Colin Raffel

Large language models (LLMs) are useful in many NLP tasks and become more capable with size, with the best open-source models having over 50 billion parameters. However, using these 50B+ models requires high-end hardware, making them inaccessible to most researchers. In this work, we investigate methods for cost-efficient inference and fine-tuning of LLMs, comparing local and distributed strategies. We observe that a large enough model (50B+) can run efficiently even on geodistributed devices in a consumer-grade network. This could allow running LLM efficiently by pooling together idle compute resources of multiple research groups and volunteers. We address two open problems: (1) how to perform inference and fine-tuning reliably if any device can disconnect abruptly and (2) how to partition LLMs between devices with uneven hardware, joining and leaving at will. In order to do that, we develop special fault-tolerant inference algorithms and load-balancing protocols that automatically assign devices to maximize the total system throughput. We showcase these algorithms in Petals - a decentralized system that runs Llama 2 (70B) and BLOOM (176B) over the Internet up to 10x faster than offloading for interactive generation. We evaluate the performance of our system in simulated conditions and a real-world setup spanning two continents.

An Invitation to Deep Reinforcement Learning. (arXiv:2312.08365v1 [cs.LG])

Authors: Bernhard Jaeger, Andreas Geiger

Training a deep neural network to maximize a target objective has become the standard recipe for successful machine learning over the last decade. These networks can be optimized with supervised learning, if the target objective is differentiable. For many interesting problems, this is however not the case. Common objectives like intersection over union (IoU), bilingual evaluation understudy (BLEU) score or rewards cannot be optimized with supervised learning. A common workaround is to define differentiable surrogate losses, leading to suboptimal solutions with respect to the actual objective. Reinforcement learning (RL) has emerged as a promising alternative for optimizing deep neural networks to maximize non-differentiable objectives in recent years. Examples include aligning large language models via human feedback, code generation, object detection or control problems. This makes RL techniques relevant to the larger machine learning audience. The subject is, however, time intensive to approach due to the large range of methods, as well as the often very theoretical presentation. In this introduction, we take an alternative approach, different from classic reinforcement learning textbooks. Rather than focusing on tabular problems, we introduce reinforcement learning as a generalization of supervised learning, which we first apply to non-differentiable objectives and later to temporal problems. Assuming only basic knowledge of supervised learning, the reader will be able to understand state-of-the-art deep RL algorithms like proximal policy optimization (PPO) after reading this tutorial.

The Effective Horizon Explains Deep RL Performance in Stochastic Environments. (arXiv:2312.08369v1 [stat.ML])

Authors: Cassidy Laidlaw, Banghua Zhu, Stuart Russell, Anca Dragan

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy's Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those rollouts. Any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works neural networks, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice, since we show many environments can be solved by estimating the random policy's Q-function and then applying zero or a few steps of value iteration. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an "effective horizon" of lookahead and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance.

Intelligence Primer. (arXiv:2008.07324v4 [cs.AI] UPDATED)

Authors: Karl Fezer, Andrew Sloss

Intelligence is a fundamental part of all living things, as well as the foundation for Artificial Intelligence. In this primer we explore the ideas associated with intelligence and, by doing so, understand the implications and constraints and potentially outline the capabilities of future systems. Artificial Intelligence, in the form of Machine Learning, has already had a significant impact on our lives. As an exploration, we journey into different parts of intelligence that appear essential. We hope that people find this helpful in determining the future. Also, during the exploration, we hope to create new thought-provoking questions. Intelligence is not a single weighable quantity but a subject that spans Biology, Physics, Philosophy, Cognitive Science, Neuroscience, Psychology, and Computer Science. The historian Yuval Noah Harari pointed out that engineers and scientists in the future will have to broaden their understandings to include disciplines such as Psychology, Philosophy, and Ethics. Fiction writers have long portrayed engineers and scientists as deficient in these areas. Today, in modern society, the emergence of Artificial Intelligence and legal requirements act as forcing functions to push these broader subjects into the foreground. We start with an introduction to intelligence and move quickly to more profound thoughts and ideas. We call this a Life, the Universe, and Everything primer, after the famous science fiction book by Douglas Adams. Forty-two may be the correct answer, but what are the questions?

Acting in Delayed Environments with Non-Stationary Markov Policies. (arXiv:2101.11992v4 [cs.LG] UPDATED)

Authors: Esther Derman, Gal Dalal, Shie Mannor

The standard Markov Decision Process (MDP) formulation hinges on the assumption that an action is executed immediately after it was chosen. However, assuming it is often unrealistic and can lead to catastrophic failures in applications such as robotic manipulation, cloud computing, and finance. We introduce a framework for learning and planning in MDPs where the decision-maker commits actions that are executed with a delay of $m$ steps. The brute-force state augmentation baseline where the state is concatenated to the last $m$ committed actions suffers from an exponential complexity in $m$, as we show for policy iteration. We then prove that with execution delay, deterministic Markov policies in the original state-space are sufficient for attaining maximal reward, but need to be non-stationary. As for stationary Markov policies, we show they are sub-optimal in general. Consequently, we devise a non-stationary Q-learning style model-based algorithm that solves delayed execution tasks without resorting to state-augmentation. Experiments on tabular, physical, and Atari domains reveal that it converges quickly to high performance even for substantial delays, while standard approaches that either ignore the delay or rely on state-augmentation struggle or fail due to divergence. The code is available at github.com/galdl/rl_delay_basic and github.com/galdl/rl_delay_atari.

Differentially private inference via noisy optimization. (arXiv:2103.11003v4 [math.ST] UPDATED)

Authors: Marco Avella-Medina, Casey Bradshaw, Po-Ling Loh

We propose a general optimization-based framework for computing differentially private M-estimators and a new method for constructing differentially private confidence regions. Firstly, we show that robust statistics can be used in conjunction with noisy gradient descent or noisy Newton methods in order to obtain optimal private estimators with global linear or quadratic convergence, respectively. We establish local and global convergence guarantees, under both local strong convexity and self-concordance, showing that our private estimators converge with high probability to a small neighborhood of the non-private M-estimators. Secondly, we tackle the problem of parametric inference by constructing differentially private estimators of the asymptotic variance of our private M-estimators. This naturally leads to approximate pivotal statistics for constructing confidence regions and conducting hypothesis testing. We demonstrate the effectiveness of a bias correction that leads to enhanced small-sample empirical performance in simulations. We illustrate the benefits of our methods in several numerical examples.

Generating Novel Scene Compositions from Single Images and Videos. (arXiv:2103.13389v5 [cs.CV] UPDATED)

Authors: Vadim Sushko, Dan Zhang, Juergen Gall, Anna Khoreva

Given a large dataset for training, generative adversarial networks (GANs) can achieve remarkable performance for the image synthesis task. However, training GANs in extremely low data regimes remains a challenge, as overfitting often occurs, leading to memorization or training divergence. In this work, we introduce SIV-GAN, an unconditional generative model that can generate new scene compositions from a single training image or a single video clip. We propose a two-branch discriminator architecture, with content and layout branches designed to judge internal content and scene layout realism separately from each other. This discriminator design enables synthesis of visually plausible, novel compositions of a scene, with varying content and layout, while preserving the context of the original sample. Compared to previous single image GANs, our model generates more diverse, higher quality images, while not being restricted to a single image setting. We further introduce a new challenging task of learning from a few frames of a single video. In this training setup the training images are highly similar to each other, which makes it difficult for prior GAN models to achieve a synthesis of both high quality and diversity.

Smoothed Differential Privacy. (arXiv:2107.01559v4 [cs.CR] UPDATED)

Authors: Ao Liu, Yu-Xiang Wang, Lirong Xia

Differential privacy (DP) is a widely-accepted and widely-applied notion of privacy based on worst-case analysis. Often, DP classifies most mechanisms without additive noise as non-private (Dwork et al., 2014). Thus, additive noises are added to improve privacy (to achieve DP). However, in many real-world applications, adding additive noise is undesirable (Bagdasaryan et al., 2019) and sometimes prohibited (Liu et al., 2020).

In this paper, we propose a natural extension of DP following the worst average-case idea behind the celebrated smoothed analysis (Spielman & Teng, May 2004). Our notion, smoothed DP, can effectively measure the privacy leakage of mechanisms without additive noises under realistic settings. We prove that any discrete mechanism with sampling procedures is more private than what DP predicts, while many continuous mechanisms with sampling procedures are still non-private under smoothed DP. In addition, we prove several desirable properties of smoothed DP, including composition, robustness to post-processing, and distribution reduction. Based on those properties, we propose an efficient algorithm to calculate the privacy parameters for smoothed DP. Experimentally, we verify that, according to smoothed DP, the discrete sampling mechanisms are private in real-world elections, and some discrete neural networks can be private without adding any additive noise. We believe that these results contribute to the theoretical foundation of realistic privacy measures beyond worst-case analysis.

Semantic Text-to-Face GAN -ST^2FG. (arXiv:2107.10756v4 [cs.CV] UPDATED)

Authors: Manan Oza, Sukalpa Chanda, David Doermann

Faces generated using generative adversarial networks (GANs) have reached unprecedented realism. These faces, also known as "Deep Fakes", appear as realistic photographs with very little pixel-level distortions. While some work has enabled the training of models that lead to the generation of specific properties of the subject, generating a facial image based on a natural language description has not been fully explored. For security and criminal identification, the ability to provide a GAN-based system that works like a sketch artist would be incredibly useful. In this paper, we present a novel approach to generate facial images from semantic text descriptions. The learned model is provided with a text description and an outline of the type of face, which the model uses to sketch the features. Our models are trained using an Affine Combination Module (ACM) mechanism to combine the text embedding from BERT and the GAN latent space using a self-attention matrix. This avoids the loss of features due to inadequate "attention", which may happen if text embedding and latent vector are simply concatenated. Our approach is capable of generating images that are very accurately aligned to the exhaustive textual descriptions of faces with many fine detail features of the face and helps in generating better images. The proposed method is also capable of making incremental changes to a previously generated image if it is provided with additional textual descriptions or sentences.

Rewiring with Positional Encodings for Graph Neural Networks. (arXiv:2201.12674v4 [cs.LG] UPDATED)

Authors: Rickard Brüel-Gabrielsson, Mikhail Yurochkin, Justin Solomon

Several recent works use positional encodings to extend the receptive fields of graph neural network (GNN) layers equipped with attention mechanisms. These techniques, however, extend receptive fields to the complete graph, at substantial computational cost and risking a change in the inductive biases of conventional GNNs, or require complex architecture adjustments. As a conservative alternative, we use positional encodings to expand receptive fields to $r$-hop neighborhoods. More specifically, our method augments the input graph with additional nodes/edges and uses positional encodings as node and/or edge features. We thus modify graphs before inputting them to a downstream GNN model, instead of modifying the model itself. This makes our method model-agnostic, i.e., compatible with any of the existing GNN architectures. We also provide examples of positional encodings that are lossless with a one-to-one map between the original and the modified graphs. We demonstrate that extending receptive fields via positional encodings and a virtual fully-connected node significantly improves GNN performance and alleviates over-squashing using small $r$. We obtain improvements on a variety of models and datasets and reach competitive performance using traditional GNNs or graph Transformers.

Measuring Self-Supervised Representation Quality for Downstream Classification using Discriminative Features. (arXiv:2203.01881v6 [cs.LG] UPDATED)

Authors: Neha Kalibhat, Kanika Narang, Hamed Firooz, Maziar Sanjabi, Soheil Feizi

Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the representation space of state-of-the-art self-supervised models including SimCLR, SwaV, MoCo, BYOL, DINO, SimSiam, VICReg and Barlow Twins. Without the use of class label information, we discover discriminative features that correspond to unique physical attributes in images, present mostly in correctly-classified representations. Using these features, we can compress the representation space by up to 40% without significantly affecting linear classification performance. We then propose Self-Supervised Representation Quality Score (or Q-Score), an unsupervised score that can reliably predict if a given sample is likely to be mis-classified during linear evaluation, achieving AUPRC of 91.45 on ImageNet-100 and 78.78 on ImageNet-1K. Q-Score can also be used as a regularization term on pre-trained encoders to remedy low-quality representations. Fine-tuning with Q-Score regularization can boost the linear probing accuracy of SSL models by up to 5.8% on ImageNet-100 and 3.7% on ImageNet-1K compared to their baselines. Finally, using gradient heatmaps and Salient ImageNet masks, we define a metric to quantify the interpretability of each representation. We show that discriminative features are strongly correlated to core attributes and, enhancing these features through Q-score regularization makes SSL representations more interpretable.

On the fast convergence of minibatch heavy ball momentum. (arXiv:2206.07553v4 [cs.LG] UPDATED)

Authors: Raghu Bollapragada, Tyler Chen, Rachel Ward

Simple stochastic momentum methods are widely used in machine learning optimization, but their good practical performance is at odds with an absence of theoretical guarantees of acceleration in the literature. In this work, we aim to close the gap between theory and practice by showing that stochastic heavy ball momentum retains the fast linear rate of (deterministic) heavy ball momentum on quadratic optimization problems, at least when minibatching with a sufficiently large batch size. The algorithm we study can be interpreted as an accelerated randomized Kaczmarz algorithm with minibatching and heavy ball momentum. The analysis relies on carefully decomposing the momentum transition matrix, and using new spectral norm concentration bounds for products of independent random matrices. We provide numerical illustrations demonstrating that our bounds are reasonably sharp.

Dynamic Budget Throttling in Repeated Second-Price Auctions. (arXiv:2207.04690v7 [cs.GT] UPDATED)

Authors: Zhaohua Chen, Chang Wang, Qian Wang, Yuqi Pan, Zhuming Shi, Zheng Cai, Yukun Ren, Zhihua Zhu, Xiaotie Deng

In today's online advertising markets, a crucial requirement for an advertiser is to control her total expenditure within a time horizon under some budget. Among various budget control methods, throttling has emerged as a popular choice, managing an advertiser's total expenditure by selecting only a subset of auctions to participate in. This paper provides a theoretical panorama of a single advertiser's dynamic budget throttling process in repeated second-price auctions. We first establish a lower bound on the regret and an upper bound on the asymptotic competitive ratio for any throttling algorithm, respectively, when the advertiser's values are stochastic and adversarial. Regarding the algorithmic side, we propose the OGD-CB algorithm, which guarantees a near-optimal expected regret with stochastic values. On the other hand, when values are adversarial, we prove that this algorithm also reaches the upper bound on the asymptotic competitive ratio. We further compare throttling with pacing, another widely adopted budget control method, in repeated second-price auctions. In the stochastic case, we demonstrate that pacing is generally superior to throttling for the advertiser, supporting the well-known result that pacing is asymptotically optimal in this scenario. However, in the adversarial case, we give an exciting result indicating that throttling is also an asymptotically optimal dynamic bidding strategy. Our results bridge the gaps in theoretical research of throttling in repeated auctions and comprehensively reveal the ability of this popular budget-smoothing strategy.

GLARE: A Dataset for Traffic Sign Detection in Sun Glare. (arXiv:2209.08716v2 [cs.CV] UPDATED)

Authors: Nicholas Gray, Megan Moraes, Jiang Bian, Alex Wang, Allen Tian, Kurt Wilson, Yan Huang, Haoyi Xiong, Zhishan Guo

Real-time machine learning object detection algorithms are often found within autonomous vehicle technology and depend on quality datasets. It is essential that these algorithms work correctly in everyday conditions as well as under strong sun glare. Reports indicate glare is one of the two most prominent environment-related reasons for crashes. However, existing datasets, such as the Laboratory for Intelligent & Safe Automobiles Traffic Sign (LISA) Dataset and the German Traffic Sign Recognition Benchmark, do not reflect the existence of sun glare at all. This paper presents the GLARE (GLARE is available at: https://github.com/NicholasCG/GLARE_Dataset ) traffic sign dataset: a collection of images with U.S-based traffic signs under heavy visual interference by sunlight. GLARE contains 2,157 images of traffic signs with sun glare, pulled from 33 videos of dashcam footage of roads in the United States. It provides an essential enrichment to the widely used LISA Traffic Sign dataset. Our experimental study shows that although several state-of-the-art baseline architectures have demonstrated good performance on traffic sign detection in conditions without sun glare in the past, they performed poorly when tested against GLARE (e.g., average mAP0.5:0.95 of 19.4). We also notice that current architectures have better detection when trained on images of traffic signs in sun glare performance (e.g., average mAP0.5:0.95 of 39.6), and perform best when trained on a mixture of conditions (e.g., average mAP0.5:0.95 of 42.3).

On the convex formulations of robust Markov decision processes. (arXiv:2209.10187v2 [math.OC] UPDATED)

Authors: Julien Grand-Clément, Marek Petrik

Robust Markov decision processes (MDPs) are used for applications of dynamic optimization in uncertain environments and have been studied extensively. Many of the main properties and algorithms of MDPs, such as value iteration and policy iteration, extend directly to RMDPs. Surprisingly, there is no known analog of the MDP convex optimization formulation for solving RMDPs. This work describes the first convex optimization formulation of RMDPs under the classical sa-rectangularity and s-rectangularity assumptions. By using entropic regularization and exponential change of variables, we derive a convex formulation with a number of variables and constraints polynomial in the number of states and actions, but with large coefficients in the constraints. We further simplify the formulation for RMDPs with polyhedral, ellipsoidal, or entropy-based uncertainty sets, showing that, in these cases, RMDPs can be reformulated as conic programs based on exponential cones, quadratic cones, and non-negative orthants. Our work opens a new research direction for RMDPs and can serve as a first step toward obtaining a tractable convex formulation of RMDPs.

Mixed moving average field guided learning for spatio-temporal data. (arXiv:2301.00736v3 [stat.ML] UPDATED)

Authors: Imma Valentina Curato, Orkun Furat, Lorenzo Proietti, Bennet Stroeh

Influenced mixed moving average fields are a versatile modeling class for spatio-temporal data. However, their predictive distribution is not generally known. Under this modeling assumption, we define a novel spatio-temporal embedding and a theory-guided machine learning approach that employs a generalized Bayesian algorithm to make ensemble forecasts. We employ Lipschitz predictors and determine fixed-time and any-time PAC Bayesian bounds in the batch learning setting. Performing causal forecast is a highlight of our methodology as its potential application to data with spatial and temporal short and long-range dependence. We then test the performance of our learning methodology by using linear predictors and data sets simulated from a spatio-temporal Ornstein-Uhlenbeck process.

Unsupervised Protein-Ligand Binding Energy Prediction via Neural Euler's Rotation Equation. (arXiv:2301.10814v2 [q-bio.BM] UPDATED)

Authors: Wengong Jin, Siranush Sarkizova, Xun Chen, Nir Hacohen, Caroline Uhler

Protein-ligand binding prediction is a fundamental problem in AI-driven drug discovery. Prior work focused on supervised learning methods using a large set of binding affinity data for small molecules, but it is hard to apply the same strategy to other drug classes like antibodies as labelled data is limited. In this paper, we explore unsupervised approaches and reformulate binding energy prediction as a generative modeling task. Specifically, we train an energy-based model on a set of unlabelled protein-ligand complexes using SE(3) denoising score matching and interpret its log-likelihood as binding affinity. Our key contribution is a new equivariant rotation prediction network called Neural Euler's Rotation Equations (NERE) for SE(3) score matching. It predicts a rotation by modeling the force and torque between protein and ligand atoms, where the force is defined as the gradient of an energy function with respect to atom coordinates. We evaluate NERE on protein-ligand and antibody-antigen binding affinity prediction benchmarks. Our model outperforms all unsupervised baselines (physics-based and statistical potentials) and matches supervised learning methods in the antibody case.

Graph Harmony: Denoising and Nuclear-Norm Wasserstein Adaptation for Enhanced Domain Transfer in Graph-Structured Data. (arXiv:2301.12361v2 [cs.LG] UPDATED)

Authors: Mengxi Wu, Mohammad Rostami

Graph-structured data can be found in numerous domains, yet the scarcity of labeled instances hinders its effective utilization of deep learning in many scenarios. Traditional unsupervised domain adaptation (UDA) strategies for graphs primarily hinge on adversarial learning and pseudo-labeling. These approaches fail to effectively leverage graph discriminative features, leading to class mismatching and unreliable label quality. To navigate these obstacles, we develop the Denoising and Nuclear-Norm Wasserstein Adaptation Network (DNAN). DNAN employs the Nuclear-norm Wasserstein discrepancy (NWD), which can simultaneously achieve domain alignment and class distinguishment. DANA also integrates a denoising mechanism via a variational graph autoencoder that mitigates data noise. This denoising mechanism helps capture essential features of both source and target domains, improving the robustness of the domain adaptation process. Our comprehensive experiments demonstrate that DNAN outperforms state-of-the-art methods on standard UDA benchmarks for graph classification.

Contrast and Clustering: Learning Neighborhood Pair Representation for Source-free Domain Adaptation. (arXiv:2301.13428v4 [cs.CV] UPDATED)

Authors: Yuqi Chen, Xiangbin Zhu, Yonggang Li, Yingjian Li, Haojie Fang

Unsupervised domain adaptation uses source data from different distributions to solve the problem of classifying data from unlabeled target domains. However, conventional methods require access to source data, which often raise concerns about data privacy. In this paper, we consider a more practical but challenging setting where the source domain data is unavailable and the target domain data is unlabeled. Specifically, we address the domain discrepancy problem from the perspective of contrastive learning. The key idea of our work is to learn a domain-invariant feature by 1) performing clustering directly in the original feature space with nearest neighbors; 2) constructing truly hard negative pairs by extended neighbors without introducing additional computational complexity; and 3) combining noise-contrastive estimation theory to gain computational advantage. We conduct careful ablation studies and extensive experiments on three common benchmarks: VisDA, Office-Home, and Office-31. The results demonstrate the superiority of our methods compared with other state-of-the-art works.

Graph schemas as abstractions for transfer learning, inference, and planning. (arXiv:2302.07350v2 [cs.AI] UPDATED)

Authors: J. Swaroop Guntupalli, Rajkumar Vasudeva Raju, Shrinu Kushagra, Carter Wendelken, Danny Sawyer, Ishan Deshpande, Guangyao Zhou, Miguel Lázaro-Gredilla, Dileep George

Transferring latent structure from one environment or problem to another is a mechanism by which humans and animals generalize with very little data. Inspired by cognitive and neurobiological insights, we propose graph schemas as a mechanism of abstraction for transfer learning. Graph schemas start with latent graph learning where perceptually aliased observations are disambiguated in the latent space using contextual information. Latent graph learning is also emerging as a new computational model of the hippocampus to explain map learning and transitive inference. Our insight is that a latent graph can be treated as a flexible template -- a schema -- that models concepts and behaviors, with slots that bind groups of latent nodes to the specific observations or groundings. By treating learned latent graphs (schemas) as prior knowledge, new environments can be quickly learned as compositions of schemas and their newly learned bindings. We evaluate graph schemas on two previously published challenging tasks: the memory & planning game and one-shot StreetLearn, which are designed to test rapid task solving in novel environments. Graph schemas can be learned in far fewer episodes than previous baselines, and can model and plan in a few steps in novel variations of these tasks. We also demonstrate learning, matching, and reusing graph schemas in more challenging 2D and 3D environments with extensive perceptual aliasing and size variations, and show how different schemas can be composed to model larger and more complex environments. To summarize, our main contribution is a unified system, inspired and grounded in cognitive science, that facilitates rapid transfer learning of new environments using schemas via map-induction and composition that handles perceptual aliasing.

Conformers are All You Need for Visual Speech Recognition. (arXiv:2302.10915v2 [cs.LG] UPDATED)

Authors: Oscar Chang, Hank Liao, Dmitriy Serdyuk, Ankit Shah, Olivier Siohan

Visual speech recognition models extract visual features in a hierarchical manner. At the lower level, there is a visual front-end with a limited temporal receptive field that processes the raw pixels depicting the lips or faces. At the higher level, there is an encoder that attends to the embeddings produced by the front-end over a large temporal receptive field. Previous work has focused on improving the visual front-end of the model to extract more useful features for speech recognition. Surprisingly, our work shows that complex visual front-ends are not necessary. Instead of allocating resources to a sophisticated visual front-end, we find that a linear visual front-end paired with a larger Conformer encoder results in lower latency, more efficient memory usage, and improved WER performance. We achieve a new state-of-the-art of 12.8% WER for visual speech recognition on the TED LRS3 dataset, which rivals the performance of audio-only models from just four years ago.

The Choice of Noninformative Priors for Thompson Sampling in Multiparameter Bandit Models. (arXiv:2302.14407v2 [cs.LG] UPDATED)

Authors: Jongyeong Lee, Chao-Kai Chiang, Masashi Sugiyama

Thompson sampling (TS) has been known for its outstanding empirical performance supported by theoretical guarantees across various reward models in the classical stochastic multi-armed bandit problems. Nonetheless, its optimality is often restricted to specific priors due to the common observation that TS is fairly insensitive to the choice of the prior when it comes to asymptotic regret bounds. However, when the model contains multiple parameters, the optimality of TS highly depends on the choice of priors, which casts doubt on the generalizability of previous findings to other models. To address this gap, this study explores the impact of selecting noninformative priors, offering insights into the performance of TS when dealing with new models that lack theoretical understanding. We first extend the regret analysis of TS to the model of uniform distributions with unknown supports, which would be the simplest non-regular model. Our findings reveal that changing noninformative priors can significantly affect the expected regret, aligning with previously known results in other multiparameter bandit models. Although the uniform prior is shown to be optimal, we highlight the inherent limitation of its optimality, which is limited to specific parameterizations and emphasizes the significance of the invariance property of priors. In light of this limitation, we propose a slightly modified TS-based policy, called TS with Truncation (TS-T), which can achieve the asymptotic optimality for the Gaussian models and the uniform models by using the reference prior and the Jeffreys prior that are invariant under one-to-one reparameterizations. This policy provides an alternative approach to achieving optimality by employing fine-tuned truncation, which would be much easier than hunting for optimal priors in practice.

Ensemble Reinforcement Learning: A Survey. (arXiv:2303.02618v3 [cs.LG] UPDATED)

Authors: Yanjie Song, P. N. Suganthan, Witold Pedrycz, Junwei Ou, Yongming He, Yingwu Chen, Yutong Wu

Reinforcement Learning (RL) has emerged as a highly effective technique for addressing various scientific and applied problems. Despite its success, certain complex tasks remain challenging to be addressed solely with a single model and algorithm. In response, ensemble reinforcement learning (ERL), a promising approach that combines the benefits of both RL and ensemble learning (EL), has gained widespread popularity. ERL leverages multiple models or training algorithms to comprehensively explore the problem space and possesses strong generalization capabilities. In this study, we present a comprehensive survey on ERL to provide readers with an overview of recent advances and challenges in the field. Firstly, we provide an introduction to the background and motivation for ERL. Secondly, we conduct a detailed analysis of strategies such as model selection and combination that have been successfully implemented in ERL. Subsequently, we explore the application of ERL, summarize the datasets, and analyze the algorithms employed. Finally, we outline several open questions and discuss future research directions of ERL. By offering guidance for future scientific research and engineering applications, this survey significantly contributes to the advancement of ERL.

Conformal Prediction Regions for Time Series using Linear Complementarity Programming. (arXiv:2304.01075v4 [eess.SY] UPDATED)

Authors: Matthew Cleaveland, Insup Lee, George J. Pappas, Lars Lindemann

Conformal prediction is a statistical tool for producing prediction regions of machine learning models that are valid with high probability. However, applying conformal prediction to time series data leads to conservative prediction regions. In fact, to obtain prediction regions over $T$ time steps with confidence $1-\delta$, {previous works require that each individual prediction region is valid} with confidence $1-\delta/T$. We propose an optimization-based method for reducing this conservatism to enable long horizon planning and verification when using learning-enabled time series predictors. Instead of considering prediction errors individually at each time step, we consider a parameterized prediction error over multiple time steps. By optimizing the parameters over an additional dataset, we find prediction regions that are not conservative. We show that this problem can be cast as a mixed integer linear complementarity program (MILCP), which we then relax into a linear complementarity program (LCP). Additionally, we prove that the relaxed LP has the same optimal cost as the original MILCP. Finally, we demonstrate the efficacy of our method on case studies using pedestrian trajectory predictors and F16 fighter jet altitude predictors.

Leveraging sparse and shared feature activations for disentangled representation learning. (arXiv:2304.07939v3 [cs.LG] UPDATED)

Authors: Marco Fumero, Florian Wenzel, Luca Zancato, Alessandro Achille, Emanuele Rodolà, Stefano Soatto, Bernhard Schölkopf, Francesco Locatello

Recovering the latent factors of variation of high dimensional data has so far focused on simple synthetic settings. Mostly building on unsupervised and weakly-supervised objectives, prior work missed out on the positive implications for representation learning on real world data. In this work, we propose to leverage knowledge extracted from a diversified set of supervised tasks to learn a common disentangled representation. Assuming each supervised task only depends on an unknown subset of the factors of variation, we disentangle the feature space of a supervised multi-task model, with features activating sparsely across different tasks and information being shared as appropriate. Importantly, we never directly observe the factors of variations but establish that access to multiple tasks is sufficient for identifiability under sufficiency and minimality assumptions. We validate our approach on six real world distribution shift benchmarks, and different data modalities (images, text), demonstrating how disentangled representations can be transferred to real settings.

Visual Instruction Tuning. (arXiv:2304.08485v2 [cs.CV] UPDATED)

Authors: Haotian Liu, Chunyuan Li, Qingyang Wu, Yong Jae Lee

Instruction tuning large language models (LLMs) using machine-generated instruction-following data has improved zero-shot capabilities on new tasks, but the idea is less explored in the multimodal field. In this paper, we present the first attempt to use language-only GPT-4 to generate multimodal language-image instruction-following data. By instruction tuning on such generated data, we introduce LLaVA: Large Language and Vision Assistant, an end-to-end trained large multimodal model that connects a vision encoder and LLM for general-purpose visual and language understanding.Our early experiments show that LLaVA demonstrates impressive multimodel chat abilities, sometimes exhibiting the behaviors of multimodal GPT-4 on unseen images/instructions, and yields a 85.1% relative score compared with GPT-4 on a synthetic multimodal instruction-following dataset. When fine-tuned on Science QA, the synergy of LLaVA and GPT-4 achieves a new state-of-the-art accuracy of 92.53%. We make GPT-4 generated visual instruction tuning data, our model and code base publicly available.

Learning to Transmit with Provable Guarantees in Wireless Federated Learning. (arXiv:2304.09329v2 [cs.LG] UPDATED)

Authors: Boning Li, Jake Perazzone, Ananthram Swami, Santiago Segarra

We propose a novel data-driven approach to allocate transmit power for federated learning (FL) over interference-limited wireless networks. The proposed method is useful in challenging scenarios where the wireless channel is changing during the FL training process and when the training data are not independent and identically distributed (non-i.i.d.) on the local devices. Intuitively, the power policy is designed to optimize the information received at the server end during the FL process under communication constraints. Ultimately, our goal is to improve the accuracy and efficiency of the global FL model being trained. The proposed power allocation policy is parameterized using graph convolutional networks (GCNs), and the associated constrained optimization problem is solved through a primal-dual (PD) algorithm. Theoretically, we show that the formulated problem has a zero duality gap and, once the power policy is parameterized, optimality depends on how expressive this parameterization is. Numerically, we demonstrate that the proposed method outperforms existing baselines under different wireless channel settings and varying degrees of data heterogeneity.

Do SSL Models Have D\'ej\`a Vu? A Case of Unintended Memorization in Self-supervised Learning. (arXiv:2304.13850v3 [cs.CV] UPDATED)

Authors: Casey Meehan, Florian Bordes, Pascal Vincent, Kamalika Chaudhuri, Chuan Guo

Self-supervised learning (SSL) algorithms can produce useful image representations by learning to associate different parts of natural images with one another. However, when taken to the extreme, SSL models can unintendedly memorize specific parts in individual training samples rather than learning semantically meaningful associations. In this work, we perform a systematic study of the unintended memorization of image-specific information in SSL models -- which we refer to as d\'ej\`a vu memorization. Concretely, we show that given the trained model and a crop of a training image containing only the background (e.g., water, sky, grass), it is possible to infer the foreground object with high accuracy or even visually reconstruct it. Furthermore, we show that d\'ej\`a vu memorization is common to different SSL algorithms, is exacerbated by certain design choices, and cannot be detected by conventional techniques for evaluating representation quality. Our study of d\'ej\`a vu memorization reveals previously unknown privacy risks in SSL models, as well as suggests potential practical mitigation strategies. Code is available at https://github.com/facebookresearch/DejaVu.

Semi-Supervised Segmentation of Functional Tissue Units at the Cellular Level. (arXiv:2305.02148v2 [eess.IV] UPDATED)

Authors: Volodymyr Sydorskyi, Igor Krashenyi, Denis Sakva, Oleksandr Zarichkovyi

We present a new method for functional tissue unit segmentation at the cellular level, which utilizes the latest deep learning semantic segmentation approaches together with domain adaptation and semi-supervised learning techniques. This approach allows for minimizing the domain gap, class imbalance, and captures settings influence between HPA and HubMAP datasets. The presented approach achieves comparable with state-of-the-art-result in functional tissue unit segmentation at the cellular level. The source code is available at https://github.com/VSydorskyy/hubmap_2022_htt_solution

Accelerating Batch Active Learning Using Continual Learning Techniques. (arXiv:2305.06408v2 [cs.LG] UPDATED)

Authors: Arnav Das, Gantavya Bhatt, Megh Bhalerao, Vianne Gao, Rui Yang, Jeff Bilmes

A major problem with Active Learning (AL) is high training costs since models are typically retrained from scratch after every query round. We start by demonstrating that standard AL on neural networks with warm starting fails, both to accelerate training and to avoid catastrophic forgetting when using fine-tuning over AL query rounds. We then develop a new class of techniques, circumventing this problem, by biasing further training towards previously labeled sets. We accomplish this by employing existing, and developing novel, replay-based Continual Learning (CL) algorithms that are effective at quickly learning the new without forgetting the old, especially when data comes from an evolving distribution. We call this paradigm Continual Active Learning (CAL). We show CAL achieves significant speedups using a plethora of replay schemes that use model distillation and that select diverse, uncertain points from the history. We conduct experiments across many data domains, including natural language, vision, medical imaging, and computational biology, each with different neural architectures and dataset sizes. CAL consistently provides a 3x reduction in training time, while retaining performance.

The Blessing of Heterogeneity in Federated Q-Learning: Linear Speedup and Beyond. (arXiv:2305.10697v2 [cs.LG] UPDATED)

Authors: Jiin Woo, Gauri Joshi, Yuejie Chi

When the data used for reinforcement learning (RL) are collected by multiple agents in a distributed manner, federated versions of RL algorithms allow collaborative learning without the need for agents to share their local data. In this paper, we consider federated Q-learning, which aims to learn an optimal Q-function by periodically aggregating local Q-estimates trained on local data alone. Focusing on infinite-horizon tabular Markov decision processes, we provide sample complexity guarantees for both the synchronous and asynchronous variants of federated Q-learning. In both cases, our bounds exhibit a linear speedup with respect to the number of agents and near-optimal dependencies on other salient problem parameters.

In the asynchronous setting, existing analyses of federated Q-learning, which adopt an equally weighted averaging of local Q-estimates, require that every agent covers the entire state-action space. In contrast, our improved sample complexity scales inverse proportionally to the minimum entry of the average stationary state-action occupancy distribution of all agents, thus only requiring the agents to collectively cover the entire state-action space, unveiling the blessing of heterogeneity in enabling collaborative learning by relaxing the coverage requirement of the single-agent case. However, its sample complexity still suffers when the local trajectories are highly heterogeneous. In response, we propose a novel federated Q-learning algorithm with importance averaging, giving larger weights to more frequently visited state-action pairs, which achieves a robust linear speedup as if all trajectories are centrally processed, regardless of the heterogeneity of local behavior policies.

Direct Preference Optimization: Your Language Model is Secretly a Reward Model. (arXiv:2305.18290v2 [cs.LG] UPDATED)

Authors: Rafael Rafailov, Archit Sharma, Eric Mitchell, Stefano Ermon, Christopher D. Manning, Chelsea Finn

While large-scale unsupervised language models (LMs) learn broad world knowledge and some reasoning skills, achieving precise control of their behavior is difficult due to the completely unsupervised nature of their training. Existing methods for gaining such steerability collect human labels of the relative quality of model generations and fine-tune the unsupervised LM to align with these preferences, often with reinforcement learning from human feedback (RLHF). However, RLHF is a complex and often unstable procedure, first fitting a reward model that reflects the human preferences, and then fine-tuning the large unsupervised LM using reinforcement learning to maximize this estimated reward without drifting too far from the original model. In this paper we introduce a new parameterization of the reward model in RLHF that enables extraction of the corresponding optimal policy in closed form, allowing us to solve the standard RLHF problem with only a simple classification loss. The resulting algorithm, which we call Direct Preference Optimization (DPO), is stable, performant, and computationally lightweight, eliminating the need for sampling from the LM during fine-tuning or performing significant hyperparameter tuning. Our experiments show that DPO can fine-tune LMs to align with human preferences as well as or better than existing methods. Notably, fine-tuning with DPO exceeds PPO-based RLHF in ability to control sentiment of generations, and matches or improves response quality in summarization and single-turn dialogue while being substantially simpler to implement and train.

Efficient Training of Energy-Based Models Using Jarzynski Equality. (arXiv:2305.19414v2 [cs.LG] UPDATED)

Authors: Davide Carbone, Mengjian Hua, Simon Coste, Eric Vanden-Eijnden

Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to the data distribution. Using the CE as the objective for training is however challenging because the computation of its gradient with respect to the model parameters requires sampling the model distribution. Here we show how results for nonequilibrium thermodynamics based on Jarzynski equality together with tools from sequential Monte-Carlo sampling can be used to perform this computation efficiently and avoid the uncontrolled approximations made using the standard contrastive divergence algorithm. Specifically, we introduce a modification of the unadjusted Langevin algorithm (ULA) in which each walker acquires a weight that enables the estimation of the gradient of the cross-entropy at any step during GD, thereby bypassing sampling biases induced by slow mixing of ULA. We illustrate these results with numerical experiments on Gaussian mixture distributions as well as the MNIST dataset. We show that the proposed approach outperforms methods based on the contrastive divergence algorithm in all the considered situations.

Transferable Adversarial Robustness for Categorical Data via Universal Robust Embeddings. (arXiv:2306.04064v2 [cs.LG] UPDATED)

Authors: Klim Kireev, Maksym Andriushchenko, Carmela Troncoso, Nicolas Flammarion

Research on adversarial robustness is primarily focused on image and text data. Yet, many scenarios in which lack of robustness can result in serious risks, such as fraud detection, medical diagnosis, or recommender systems often do not rely on images or text but instead on tabular data. Adversarial robustness in tabular data poses two serious challenges. First, tabular datasets often contain categorical features, and therefore cannot be tackled directly with existing optimization procedures. Second, in the tabular domain, algorithms that are not based on deep networks are widely used and offer great performance, but algorithms to enhance robustness are tailored to neural networks (e.g. adversarial training).

In this paper, we tackle both challenges. We present a method that allows us to train adversarially robust deep networks for tabular data and to transfer this robustness to other classifiers via universal robust embeddings tailored to categorical data. These embeddings, created using a bilevel alternating minimization framework, can be transferred to boosted trees or random forests making them robust without the need for adversarial training while preserving their high accuracy on tabular data. We show that our methods outperform existing techniques within a practical threat model suitable for tabular data.

LLQL: Logistic Likelihood Q-Learning for Reinforcement Learning. (arXiv:2307.02345v4 [cs.LG] UPDATED)

Authors: Outongyi Lv, Bingxin Zhou

Modern reinforcement learning (RL) can be categorized into online and offline variants. As a pivotal aspect of both online and offline RL, current research on the Bellman equation revolves primarily around optimization techniques and performance enhancement rather than exploring the inherent structural properties of the Bellman error, such as its distribution characteristics. This study investigates the distribution of the Bellman approximation error through iterative exploration of the Bellman equation with the observation that the Bellman error approximately follows the Logistic distribution. Based on this, we proposed the utilization of the Logistic maximum likelihood function (LLoss) as an alternative to the commonly used mean squared error (MSELoss) that assumes a Normal distribution for Bellman errors. We validated the hypotheses through extensive numerical experiments across diverse online and offline environments. In particular, we applied the Logistic correction to loss functions in various RL baseline methods and observed that the results with LLoss consistently outperformed the MSE counterparts. We also conducted the Kolmogorov-Smirnov tests to confirm the reliability of the Logistic distribution. Moreover, our theory connects the Bellman error to the proportional reward scaling phenomenon by providing a distribution-based analysis. Furthermore, we applied the bias-variance decomposition for sampling from the Logistic distribution. The theoretical and empirical insights of this study lay a valuable foundation for future investigations and enhancements centered on the distribution of Bellman error.

TwinLiteNet: An Efficient and Lightweight Model for Driveable Area and Lane Segmentation in Self-Driving Cars. (arXiv:2307.10705v5 [cs.CV] UPDATED)

Authors: Quang Huy Che, Dinh Phuc Nguyen, Minh Quan Pham, Duc Khai Lam

Semantic segmentation is a common task in autonomous driving to understand the surrounding environment. Driveable Area Segmentation and Lane Detection are particularly important for safe and efficient navigation on the road. However, original semantic segmentation models are computationally expensive and require high-end hardware, which is not feasible for embedded systems in autonomous vehicles. This paper proposes a lightweight model for the driveable area and lane line segmentation. TwinLiteNet is designed cheaply but achieves accurate and efficient segmentation results. We evaluate TwinLiteNet on the BDD100K dataset and compare it with modern models. Experimental results show that our TwinLiteNet performs similarly to existing approaches, requiring significantly fewer computational resources. Specifically, TwinLiteNet achieves a mIoU score of 91.3% for the Drivable Area task and 31.08% IoU for the Lane Detection task with only 0.4 million parameters and achieves 415 FPS on GPU RTX A5000. Furthermore, TwinLiteNet can run in real-time on embedded devices with limited computing power, especially since it achieves 60FPS on Jetson Xavier NX, making it an ideal solution for self-driving vehicles. Code is available: url{https://github.com/chequanghuy/TwinLiteNet}.

Big Data -- Supply Chain Management Framework for Forecasting: Data Preprocessing and Machine Learning Techniques. (arXiv:2307.12971v2 [cs.LG] UPDATED)

Authors: Md Abrar Jahin, Md Sakib Hossain Shovon, Jungpil Shin, Istiyaque Ahmed Ridoy, Yoichi Tomioka, M. F. Mridha

This article intends to systematically identify and comparatively analyze state-of-the-art supply chain (SC) forecasting strategies and technologies. A novel framework has been proposed incorporating Big Data Analytics in SC Management (problem identification, data sources, exploratory data analysis, machine-learning model training, hyperparameter tuning, performance evaluation, and optimization), forecasting effects on human-workforce, inventory, and overall SC. Initially, the need to collect data according to SC strategy and how to collect them has been discussed. The article discusses the need for different types of forecasting according to the period or SC objective. The SC KPIs and the error-measurement systems have been recommended to optimize the top-performing model. The adverse effects of phantom inventory on forecasting and the dependence of managerial decisions on the SC KPIs for determining model performance parameters and improving operations management, transparency, and planning efficiency have been illustrated. The cyclic connection within the framework introduces preprocessing optimization based on the post-process KPIs, optimizing the overall control process (inventory management, workforce determination, cost, production and capacity planning). The contribution of this research lies in the standard SC process framework proposal, recommended forecasting data analysis, forecasting effects on SC performance, machine learning algorithms optimization followed, and in shedding light on future research.

Reinforcement Learning for Generative AI: State of the Art, Opportunities and Open Research Challenges. (arXiv:2308.00031v2 [cs.LG] UPDATED)

Authors: Giorgio Franceschelli, Mirco Musolesi

Generative Artificial Intelligence (AI) is one of the most exciting developments in Computer Science of the last decade. At the same time, Reinforcement Learning (RL) has emerged as a very successful paradigm for a variety of machine learning tasks. In this survey, we discuss the state of the art, opportunities and open research questions in applying RL to generative AI. In particular, we will discuss three types of applications, namely, RL as an alternative way for generation without specified objectives; as a way for generating outputs while concurrently maximizing an objective function; and, finally, as a way of embedding desired characteristics, which cannot be easily captured by means of an objective function, into the generative process. We conclude the survey with an in-depth discussion of the opportunities and challenges in this fascinating emerging area.

PUG: Photorealistic and Semantically Controllable Synthetic Data for Representation Learning. (arXiv:2308.03977v2 [cs.CV] UPDATED)

Authors: Florian Bordes, Shashank Shekhar, Mark Ibrahim, Diane Bouchacourt, Pascal Vincent, Ari S. Morcos

Synthetic image datasets offer unmatched advantages for designing and evaluating deep neural networks: they make it possible to (i) render as many data samples as needed, (ii) precisely control each scene and yield granular ground truth labels (and captions), (iii) precisely control distribution shifts between training and testing to isolate variables of interest for sound experimentation. Despite such promise, the use of synthetic image data is still limited -- and often played down -- mainly due to their lack of realism. Most works therefore rely on datasets of real images, which have often been scraped from public images on the internet, and may have issues with regards to privacy, bias, and copyright, while offering little control over how objects precisely appear. In this work, we present a path to democratize the use of photorealistic synthetic data: we develop a new generation of interactive environments for representation learning research, that offer both controllability and realism. We use the Unreal Engine, a powerful game engine well known in the entertainment industry, to produce PUG (Photorealistic Unreal Graphics) environments and datasets for representation learning. In this paper, we demonstrate the potential of PUG to enable more rigorous evaluations of vision models.

Fast Machine Unlearning Without Retraining Through Selective Synaptic Dampening. (arXiv:2308.07707v2 [cs.LG] UPDATED)

Authors: Jack Foster, Stefan Schoepf, Alexandra Brintrup

Machine unlearning, the ability for a machine learning model to forget, is becoming increasingly important to comply with data privacy regulations, as well as to remove harmful, manipulated, or outdated information. The key challenge lies in forgetting specific information while protecting model performance on the remaining data. While current state-of-the-art methods perform well, they typically require some level of retraining over the retained data, in order to protect or restore model performance. This adds computational overhead and mandates that the training data remain available and accessible, which may not be feasible. In contrast, other methods employ a retrain-free paradigm, however, these approaches are prohibitively computationally expensive and do not perform on par with their retrain-based counterparts. We present Selective Synaptic Dampening (SSD), a novel two-step, post hoc, retrain-free approach to machine unlearning which is fast, performant, and does not require long-term storage of the training data. First, SSD uses the Fisher information matrix of the training and forgetting data to select parameters that are disproportionately important to the forget set. Second, SSD induces forgetting by dampening these parameters proportional to their relative importance to the forget set with respect to the wider training data. We evaluate our method against several existing unlearning methods in a range of experiments using ResNet18 and Vision Transformer. Results show that the performance of SSD is competitive with retrain-based post hoc methods, demonstrating the viability of retrain-free post hoc unlearning approaches.

PMET: Precise Model Editing in a Transformer. (arXiv:2308.08742v3 [cs.CL] UPDATED)

Authors: Xiaopeng Li, Shasha Li, Shezheng Song, Jing Yang, Jun Ma, Jie Yu

Model editing techniques modify a minor proportion of knowledge in Large Language Models (LLMs) at a relatively low cost, which have demonstrated notable success. Existing methods assume Transformer Layer (TL) hidden states are values of key-value memories of the Feed-Forward Network (FFN). They usually optimize the TL hidden states to memorize target knowledge and use it to update the weights of the FFN in LLMs. However, the information flow of TL hidden states comes from three parts: Multi-Head Self-Attention (MHSA), FFN, and residual connections. Existing methods neglect the fact that the TL hidden states contains information not specifically required for FFN. Consequently, the performance of model editing decreases. To achieve more precise model editing, we analyze hidden states of MHSA and FFN, finding that MHSA encodes certain general knowledge extraction patterns. This implies that MHSA weights do not require updating when new knowledge is introduced. Based on above findings, we introduce PMET, which simultaneously optimizes Transformer Component (TC, namely MHSA and FFN) hidden states, while only using the optimized TC hidden states of FFN to precisely update FFN weights. Our experiments demonstrate that PMET exhibits state-of-the-art performance on both the COUNTERFACT and zsRE datasets. Our ablation experiments substantiate the effectiveness of our enhancements, further reinforcing the finding that the MHSA encodes certain general knowledge extraction patterns and indicating its storage of a small amount of factual knowledge. Our code is available at https://github.com/xpq-tech/PMET.

Discretization-Induced Dirichlet Posterior for Robust Uncertainty Quantification on Regression. (arXiv:2308.09065v2 [cs.CV] UPDATED)

Authors: Xuanlong Yu, Gianni Franchi, Jindong Gu, Emanuel Aldea

Uncertainty quantification is critical for deploying deep neural networks (DNNs) in real-world applications. An Auxiliary Uncertainty Estimator (AuxUE) is one of the most effective means to estimate the uncertainty of the main task prediction without modifying the main task model. To be considered robust, an AuxUE must be capable of maintaining its performance and triggering higher uncertainties while encountering Out-of-Distribution (OOD) inputs, i.e., to provide robust aleatoric and epistemic uncertainty. However, for vision regression tasks, current AuxUE designs are mainly adopted for aleatoric uncertainty estimates, and AuxUE robustness has not been explored. In this work, we propose a generalized AuxUE scheme for more robust uncertainty quantification on regression tasks. Concretely, to achieve a more robust aleatoric uncertainty estimation, different distribution assumptions are considered for heteroscedastic noise, and Laplace distribution is finally chosen to approximate the prediction error. For epistemic uncertainty, we propose a novel solution named Discretization-Induced Dirichlet pOsterior (DIDO), which models the Dirichlet posterior on the discretized prediction error. Extensive experiments on age estimation, monocular depth estimation, and super-resolution tasks show that our proposed method can provide robust uncertainty estimates in the face of noisy inputs and that it can be scalable to both image-level and pixel-wise tasks. Code is available at https://github.com/ENSTA-U2IS/DIDO .

On Estimating the Gradient of the Expected Information Gain in Bayesian Experimental Design. (arXiv:2308.09888v2 [stat.ML] UPDATED)

Authors: Ziqiao Ao, Jinglai Li

Bayesian Experimental Design (BED), which aims to find the optimal experimental conditions for Bayesian inference, is usually posed as to optimize the expected information gain (EIG). The gradient information is often needed for efficient EIG optimization, and as a result the ability to estimate the gradient of EIG is essential for BED problems. The primary goal of this work is to develop methods for estimating the gradient of EIG, which, combined with the stochastic gradient descent algorithms, result in efficient optimization of EIG. Specifically, we first introduce a posterior expected representation of the EIG gradient with respect to the design variables. Based on this, we propose two methods for estimating the EIG gradient, UEEG-MCMC that leverages posterior samples generated through Markov Chain Monte Carlo (MCMC) to estimate the EIG gradient, and BEEG-AP that focuses on achieving high simulation efficiency by repeatedly using parameter samples. Theoretical analysis and numerical studies illustrate that UEEG-MCMC is robust agains the actual EIG value, while BEEG-AP is more efficient when the EIG value to be optimized is small. Moreover, both methods show superior performance compared to several popular benchmarks in our numerical experiments.

Saturn: An Optimized Data System for Large Model Deep Learning Workloads. (arXiv:2309.01226v2 [cs.LG] UPDATED)

Authors: Kabir Nagrecha, Arun Kumar

Large language models such as GPT-3 & ChatGPT have transformed deep learning (DL), powering applications that have captured the public's imagination. These models are rapidly being adopted across domains for analytics on various modalities, often by finetuning pre-trained base models. Such models need multiple GPUs due to both their size and computational load, driving the development of a bevy of "model parallelism" techniques & tools. Navigating such parallelism choices, however, is a new burden for end users of DL such as data scientists, domain scientists, etc. who may lack the necessary systems knowhow. The need for model selection, which leads to many models to train due to hyper-parameter tuning or layer-wise finetuning, compounds the situation with two more burdens: resource apportioning and scheduling. In this work, we tackle these three burdens for DL users in a unified manner by formalizing them as a joint problem that we call SPASE: Select a Parallelism, Allocate resources, and SchedulE. We propose a new information system architecture to tackle the SPASE problem holistically, representing a key step toward enabling wider adoption of large DL models. We devise an extensible template for existing parallelism schemes and combine it with an automated empirical profiler for runtime estimation. We then formulate SPASE as an MILP.

We find that direct use of an MILP-solver is significantly more effective than several baseline heuristics. We optimize the system runtime further with an introspective scheduling approach. We implement all these techniques into a new data system we call Saturn. Experiments with benchmark DL workloads show that Saturn achieves 39-49% lower model selection runtimes than typical current DL practice.

Regret Analysis of Policy Gradient Algorithm for Infinite Horizon Average Reward Markov Decision Processes. (arXiv:2309.01922v2 [cs.LG] UPDATED)

Authors: Qinbo Bai, Washim Uddin Mondal, Vaneet Aggarwal

In this paper, we consider an infinite horizon average reward Markov Decision Process (MDP). Distinguishing itself from existing works within this context, our approach harnesses the power of the general policy gradient-based algorithm, liberating it from the constraints of assuming a linear MDP structure. We propose a policy gradient-based algorithm and show its global convergence property. We then prove that the proposed algorithm has $\tilde{\mathcal{O}}({T}^{3/4})$ regret. Remarkably, this paper marks a pioneering effort by presenting the first exploration into regret-bound computation for the general parameterized policy gradient algorithm in the context of average reward scenarios.

Norm Tweaking: High-performance Low-bit Quantization of Large Language Models. (arXiv:2309.02784v2 [cs.LG] UPDATED)

Authors: Liang Li, Qingyuan Li, Bo Zhang, Xiangxiang Chu

As the size of large language models (LLMs) continues to grow, model compression without sacrificing accuracy has become a crucial challenge for deployment. While some quantization methods, such as GPTQ, have made progress in achieving acceptable 4-bit weight-only quantization, attempts at lower-bit quantization often result in severe performance degradation. In this paper, we introduce a technique called norm tweaking, which can be used as a plugin in current PTQ methods to achieve high precision while being cost-efficient. Our approach is inspired by the observation that rectifying the quantized activation distribution to match its float counterpart can readily restore accuracy for LLMs. To achieve this, we carefully design a tweaking strategy that includes calibration data generation and channel-wise distance constraint to update the weights of normalization layers for better generalization. We conduct extensive experiments on various datasets using several open-sourced LLMs. Our method demonstrates significant improvements in both weight-only quantization and joint quantization of weights and activations, surpassing existing PTQ methods. On GLM-130B and OPT-66B, our method even achieves the same level of accuracy at 2-bit quantization as their float ones. Our simple and effective approach makes it more practical for real-world applications.

Adapting Self-Supervised Representations to Multi-Domain Setups. (arXiv:2309.03999v2 [cs.CV] UPDATED)

Authors: Neha Kalibhat, Sam Sharpe, Jeremy Goodsitt, Bayan Bruss, Soheil Feizi

Current state-of-the-art self-supervised approaches, are effective when trained on individual domains but show limited generalization on unseen domains. We observe that these models poorly generalize even when trained on a mixture of domains, making them unsuitable to be deployed under diverse real-world setups. We therefore propose a general-purpose, lightweight Domain Disentanglement Module (DDM) that can be plugged into any self-supervised encoder to effectively perform representation learning on multiple, diverse domains with or without shared classes. During pre-training according to a self-supervised loss, DDM enforces a disentanglement in the representation space by splitting it into a domain-variant and a domain-invariant portion. When domain labels are not available, DDM uses a robust clustering approach to discover pseudo-domains. We show that pre-training with DDM can show up to 3.5% improvement in linear probing accuracy on state-of-the-art self-supervised models including SimCLR, MoCo, BYOL, DINO, SimSiam and Barlow Twins on multi-domain benchmarks including PACS, DomainNet and WILDS. Models trained with DDM show significantly improved generalization (7.4%) to unseen domains compared to baselines. Therefore, DDM can efficiently adapt self-supervised encoders to provide high-quality, generalizable representations for diverse multi-domain data.

AmbientFlow: Invertible generative models from incomplete, noisy measurements. (arXiv:2309.04856v2 [cs.LG] UPDATED)

Authors: Varun A. Kelkar, Rucha Deshpande, Arindam Banerjee, Mark A. Anastasio

Generative models have gained popularity for their potential applications in imaging science, such as image reconstruction, posterior sampling and data sharing. Flow-based generative models are particularly attractive due to their ability to tractably provide exact density estimates along with fast, inexpensive and diverse samples. Training such models, however, requires a large, high quality dataset of objects. In applications such as computed imaging, it is often difficult to acquire such data due to requirements such as long acquisition time or high radiation dose, while acquiring noisy or partially observed measurements of these objects is more feasible. In this work, we propose AmbientFlow, a framework for learning flow-based generative models directly from noisy and incomplete data. Using variational Bayesian methods, a novel framework for establishing flow-based generative models from noisy, incomplete data is proposed. Extensive numerical studies demonstrate the effectiveness of AmbientFlow in learning the object distribution. The utility of AmbientFlow in a downstream inference task of image reconstruction is demonstrated.

Toward Discretization-Consistent Closure Schemes for Large Eddy Simulation Using Reinforcement Learning. (arXiv:2309.06260v2 [physics.flu-dyn] UPDATED)

Authors: Andrea Beck, Marius Kurz

This study proposes a novel method for developing discretization-consistent closure schemes for implicitly filtered Large Eddy Simulation (LES). Here, the induced filter kernel, and thus the closure terms, are determined by the properties of the grid and the discretization operator, leading to additional computational subgrid terms that are generally unknown in a priori analysis. In this work, the task of adapting the coefficients of LES closure models is thus framed as a Markov decision process and solved in an a posteriori manner with Reinforcement Learning (RL). This optimization framework is applied to both explicit and implicit closure models. The explicit model is based on an element-local eddy viscosity model. The optimized model is found to adapt its induced viscosity within discontinuous Galerkin (DG) methods to homogenize the dissipation within an element by adding more viscosity near its center. For the implicit modeling, RL is applied to identify an optimal blending strategy for a hybrid DG and Finite Volume (FV) scheme. The resulting optimized discretization yields more accurate results in LES than either the pure DG or FV method and renders itself as a viable modeling ansatz that could initiate a novel class of high-order schemes for compressible turbulence by combining turbulence modeling with shock capturing in a single framework. All newly derived models achieve accurate results that either match or outperform traditional models for different discretizations and resolutions. Overall, the results demonstrate that the proposed RL optimization can provide discretization-consistent closures that could reduce the uncertainty in implicitly filtered LES.

Domain Generalization with Fourier Transform and Soft Thresholding. (arXiv:2309.09866v3 [eess.IV] UPDATED)

Authors: Hongyi Pan, Bin Wang, Zheyuan Zhang, Xin Zhu, Debesh Jha, Ahmet Enis Cetin, Concetto Spampinato, Ulas Bagci

Domain generalization aims to train models on multiple source domains so that they can generalize well to unseen target domains. Among many domain generalization methods, Fourier-transform-based domain generalization methods have gained popularity primarily because they exploit the power of Fourier transformation to capture essential patterns and regularities in the data, making the model more robust to domain shifts. The mainstream Fourier-transform-based domain generalization swaps the Fourier amplitude spectrum while preserving the phase spectrum between the source and the target images. However, it neglects background interference in the amplitude spectrum. To overcome this limitation, we introduce a soft-thresholding function in the Fourier domain. We apply this newly designed algorithm to retinal fundus image segmentation, which is important for diagnosing ocular diseases but the neural network's performance can degrade across different sources due to domain shifts. The proposed technique basically enhances fundus image augmentation by eliminating small values in the Fourier domain and providing better generalization. The innovative nature of the soft thresholding fused with Fourier-transform-based domain generalization improves neural network models' performance by reducing the target images' background interference significantly. Experiments on public data validate our approach's effectiveness over conventional and state-of-the-art methods with superior segmentation metrics.

Coreset selection can accelerate quantum machine learning models with provable generalization. (arXiv:2309.10441v2 [quant-ph] UPDATED)

Authors: Yiming Huang, Huiyuan Wang, Yuxuan Du, Xiao Yuan

Quantum neural networks (QNNs) and quantum kernels stand as prominent figures in the realm of quantum machine learning, poised to leverage the nascent capabilities of near-term quantum computers to surmount classical machine learning challenges. Nonetheless, the training efficiency challenge poses a limitation on both QNNs and quantum kernels, curbing their efficacy when applied to extensive datasets. To confront this concern, we present a unified approach: coreset selection, aimed at expediting the training of QNNs and quantum kernels by distilling a judicious subset from the original training dataset. Furthermore, we analyze the generalization error bounds of QNNs and quantum kernels when trained on such coresets, unveiling the comparable performance with those training on the complete original dataset. Through systematic numerical simulations, we illuminate the potential of coreset selection in expediting tasks encompassing synthetic data classification, identification of quantum correlations, and quantum compiling. Our work offers a useful way to improve diverse quantum machine learning models with a theoretical guarantee while reducing the training cost.

DifAttack: Query-Efficient Black-Box Attack via Disentangled Feature Space. (arXiv:2309.14585v3 [cs.CV] UPDATED)

Authors: Liu Jun, Zhou Jiantao, Zeng Jiandian, Jinyu Tian

This work investigates efficient score-based black-box adversarial attacks with a high Attack Success Rate (ASR) and good generalizability. We design a novel attack method based on a Disentangled Feature space, called DifAttack, which differs significantly from the existing ones operating over the entire feature space. Specifically, DifAttack firstly disentangles an image's latent feature into an adversarial feature and a visual feature, where the former dominates the adversarial capability of an image, while the latter largely determines its visual appearance. We train an autoencoder for the disentanglement by using pairs of clean images and their Adversarial Examples (AEs) generated from available surrogate models via white-box attack methods. Eventually, DifAttack iteratively optimizes the adversarial feature according to the query feedback from the victim model until a successful AE is generated, while keeping the visual feature unaltered. In addition, due to the avoidance of using surrogate models' gradient information when optimizing AEs for black-box models, our proposed DifAttack inherently possesses better attack capability in the open-set scenario, where the training dataset of the victim model is unknown. Extensive experimental results demonstrate that our method achieves significant improvements in ASR and query efficiency simultaneously, especially in the targeted attack and open-set scenarios. The code is available at https://github.com/csjunjun/DifAttack.git.

On the Stability of Iterative Retraining of Generative Models on their own Data. (arXiv:2310.00429v3 [cs.LG] UPDATED)

Authors: Quentin Bertrand, Avishek Joey Bose, Alexandre Duplessis, Marco Jiralerspong, Gauthier Gidel

Deep generative models have made tremendous progress in modeling complex data, often exhibiting generation quality that surpasses a typical human's ability to discern the authenticity of samples. Undeniably, a key driver of this success is enabled by the massive amounts of web-scale data consumed by these models. Due to these models' striking performance and ease of availability, the web will inevitably be increasingly populated with synthetic content. Such a fact directly implies that future iterations of generative models must contend with the reality that their training is curated from both clean data and artificially generated data from past models. In this paper, we develop a framework to rigorously study the impact of training generative models on mixed datasets (of real and synthetic data) on their stability. We first prove the stability of iterative training under the condition that the initial generative models approximate the data distribution well enough and the proportion of clean training data (w.r.t. synthetic data) is large enough. We empirically validate our theory on both synthetic and natural images by iteratively training normalizing flows and state-of-the-art diffusion models on CIFAR10 and FFHQ.

ScaLearn: Simple and Highly Parameter-Efficient Task Transfer by Learning to Scale. (arXiv:2310.01217v2 [cs.LG] UPDATED)

Authors: Markus Frohmann, Carolin Holtermann, Shahed Masoudian, Anne Lauscher, Navid Rekabsaz

Multi-task learning (MTL) has shown considerable practical benefits, particularly when using pre-trained language models (PLMs). While this is commonly achieved by simultaneously learning $n$ tasks under a joint optimization procedure, recent methods such as AdapterFusion structure the problem into two distinct stages: (i) task learning, where knowledge specific to a task is encapsulated within sets of parameters (e.g., adapters), and (ii) transfer, where this already learned knowledge is leveraged for a target task. This separation of concerns provides numerous benefits, such as promoting reusability, and addressing cases involving data privacy and societal concerns; on the flip side, current two-stage MTL methods come with the cost of introducing a substantial number of additional parameters. In this work, we address this issue by leveraging the usefulness of linearly scaling the output representations of source adapters for transfer learning. We introduce ScaLearn, a simple and highly parameter-efficient two-stage MTL method that capitalizes on the knowledge of the source tasks by learning a minimal set of scaling parameters that enable effective knowledge transfer to a target task. Our experiments on three benchmarks (GLUE, SuperGLUE, and HumSet) show that our ScaLearn, in addition to facilitating the benefits of two-stage MTL, consistently outperforms strong baselines with only a small number of transfer parameters - roughly 0.35% of those of AdapterFusion. Remarkably, we observe that ScaLearn maintains its strong abilities even when further reducing parameters through uniform scaling and layer-sharing, achieving similarly competitive results with only $8$ transfer parameters for each target task. Our proposed approach thus demonstrates the power of simple scaling as a promise for more efficient task transfer.

HappyFeat -- An interactive and efficient BCI framework for clinical applications. (arXiv:2310.02948v2 [q-bio.NC] UPDATED)

Authors: Arthur Desbois, Tristan Venot, Fabrizio De Vico Fallani, Marie-Constance Corsi

Brain-Computer Interface (BCI) systems allow users to perform actions by translating their brain activity into commands. Such systems usually need a training phase, consisting in training a classification algorithm to discriminate between mental states using specific features from the recorded signals. This phase of feature selection and training is crucial for BCI performance and presents specific constraints to be met in a clinical context, such as post-stroke rehabilitation.

In this paper, we present HappyFeat, a software making Motor Imagery (MI) based BCI experiments easier, by gathering all necessary manipulations and analysis in a single convenient GUI and via automation of experiment or analysis parameters. The resulting workflow allows for effortlessly selecting the best features, helping to achieve good BCI performance in time-constrained environments. Alternative features based on Functional Connectivity can be used and compared or combined with Power Spectral Density, allowing a network-oriented approach.

We then give details of HappyFeat's main mechanisms, and a review of its performances in typical use cases. We also show that it can be used as an efficient tool for comparing different metrics extracted from the signals, to train the classification algorithm. To this end, we show a comparison between the commonly-used Power Spectral Density and network metrics based on Functional Connectivity.

HappyFeat is available as an open-source project which can be freely downloaded on GitHub.

Attributing Learned Concepts in Neural Networks to Training Data. (arXiv:2310.03149v3 [cs.LG] UPDATED)

Authors: Nicholas Konz, Charles Godfrey, Madelyn Shapiro, Jonathan Tu, Henry Kvinge, Davis Brown

By now there is substantial evidence that deep learning models learn certain human-interpretable features as part of their internal representations of data. As having the right (or wrong) concepts is critical to trustworthy machine learning systems, it is natural to ask which inputs from the model's original training set were most important for learning a concept at a given layer. To answer this, we combine data attribution methods with methods for probing the concepts learned by a model. Training network and probe ensembles for two concept datasets on a range of network layers, we use the recently developed TRAK method for large-scale data attribution. We find some evidence for convergence, where removing the 10,000 top attributing images for a concept and retraining the model does not change the location of the concept in the network nor the probing sparsity of the concept. This suggests that rather than being highly dependent on a few specific examples, the features that inform the development of a concept are spread in a more diffuse manner across its exemplars, implying robustness in concept formation.

A Language-Agent Approach to Formal Theorem-Proving. (arXiv:2310.04353v3 [cs.LG] UPDATED)

Authors: Amitayush Thakur, Yeming Wen, Swarat Chaudhuri

Language agents, which use a large language model (LLM) capable of in-context learning to interact with an external environment, have recently emerged as a promising approach to control tasks. We present the first language-agent approach to formal theorem-proving. Our method, COPRA, uses a high-capacity, black-box LLM (GPT-4) as part of a policy for a stateful backtracking search. During the search, the policy can select proof tactics and retrieve lemmas and definitions from an external database. Each selected tactic is executed in the underlying proof framework, and the execution feedback is used to build the prompt for the next policy invocation. The search also tracks selected information from its history and uses it to reduce hallucinations and unnecessary LLM queries.

We evaluate our implementation of COPRA on the miniF2F benchmark for Lean and a set of Coq tasks from the Compcert project. On these benchmarks, COPRA significantly outperforms one-shot invocations of GPT-4, as well as state-of-the-art models fine-tuned on proof data, at finding correct proofs quickly. Our code and data are available at https://github.com/trishullab/copra.

Accelerate Multi-Agent Reinforcement Learning in Zero-Sum Games with Subgame Curriculum Learning. (arXiv:2310.04796v2 [cs.LG] UPDATED)

Authors: Jiayu Chen, Zelai Xu, Yunfei Li, Chao Yu, Jiaming Song, Huazhong Yang, Fei Fang, Yu Wang, Yi Wu

Learning Nash equilibrium (NE) in complex zero-sum games with multi-agent reinforcement learning (MARL) can be extremely computationally expensive. Curriculum learning is an effective way to accelerate learning, but an under-explored dimension for generating a curriculum is the difficulty-to-learn of the subgames -- games induced by starting from a specific state. In this work, we present a novel subgame curriculum learning framework for zero-sum games. It adopts an adaptive initial state distribution by resetting agents to some previously visited states where they can quickly learn to improve performance. Building upon this framework, we derive a subgame selection metric that approximates the squared distance to NE values and further adopt a particle-based state sampler for subgame generation. Integrating these techniques leads to our new algorithm, Subgame Automatic Curriculum Learning (SACL), which is a realization of the subgame curriculum learning framework. SACL can be combined with any MARL algorithm such as MAPPO. Experiments in the particle-world environment and Google Research Football environment show SACL produces much stronger policies than baselines. In the challenging hide-and-seek quadrant environment, SACL produces all four emergent stages and uses only half the samples of MAPPO with self-play. The project website is at https://sites.google.com/view/sacl-rl.

Crystal-GFN: sampling crystals with desirable properties and constraints. (arXiv:2310.04925v2 [cs.LG] UPDATED)

Authors: Mila AI4Science, Alex Hernandez-Garcia, Alexandre Duval, Alexandra Volokhova, Yoshua Bengio, Divya Sharma, Pierre Luc Carrier, Yasmine Benabed, Michał Koziarski, Victor Schmidt

Accelerating material discovery holds the potential to greatly help mitigate the climate crisis. Discovering new solid-state materials such as electrocatalysts, super-ionic conductors or photovoltaic materials can have a crucial impact, for instance, in improving the efficiency of renewable energy production and storage. In this paper, we introduce Crystal-GFN, a generative model of crystal structures that sequentially samples structural properties of crystalline materials, namely the space group, composition and lattice parameters. This domain-inspired approach enables the flexible incorporation of physical and structural hard constraints, as well as the use of any available predictive model of a desired physicochemical property as an objective function. To design stable materials, one must target the candidates with the lowest formation energy. Here, we use as objective the formation energy per atom of a crystal structure predicted by a new proxy machine learning model trained on MatBench. The results demonstrate that Crystal-GFN is able to sample highly diverse crystals with low (median -3.1 eV/atom) predicted formation energy.

EdVAE: Mitigating Codebook Collapse with Evidential Discrete Variational Autoencoders. (arXiv:2310.05718v2 [cs.CV] UPDATED)

Authors: Gulcin Baykal, Melih Kandemir, Gozde Unal

Codebook collapse is a common problem in training deep generative models with discrete representation spaces like Vector Quantized Variational Autoencoders (VQ-VAEs). We observe that the same problem arises for the alternatively designed discrete variational autoencoders (dVAEs) whose encoder directly learns a distribution over the codebook embeddings to represent the data. We hypothesize that using the softmax function to obtain a probability distribution causes the codebook collapse by assigning overconfident probabilities to the best matching codebook elements. In this paper, we propose a novel way to incorporate evidential deep learning (EDL) instead of softmax to combat the codebook collapse problem of dVAE. We evidentially monitor the significance of attaining the probability distribution over the codebook embeddings, in contrast to softmax usage. Our experiments using various datasets show that our model, called EdVAE, mitigates codebook collapse while improving the reconstruction performance, and enhances the codebook usage compared to dVAE and VQ-VAE based models. Our code can be found at https://github.com/ituvisionlab/EdVAE .

Defending Our Privacy With Backdoors. (arXiv:2310.08320v2 [cs.LG] UPDATED)

Authors: Dominik Hintersdorf, Lukas Struppek, Daniel Neider, Kristian Kersting

The proliferation of large AI models trained on uncurated, often sensitive web-scraped data has raised significant privacy concerns. One of the concerns is that adversaries can extract information about the training data using privacy attacks. Unfortunately, the task of removing specific information from the models without sacrificing performance is not straightforward and has proven to be challenging. We propose a rather easy yet effective defense based on backdoor attacks to remove private information such as names of individuals from models, and focus in this work on text encoders. Specifically, through strategic insertion of backdoors, we align the embeddings of sensitive phrases with those of neutral terms-"a person" instead of the person's name. Our empirical results demonstrate the effectiveness of our backdoor-based defense on CLIP by assessing its performance using a specialized privacy attack for zero-shot classifiers. Our approach provides not only a new "dual-use" perspective on backdoor attacks, but also presents a promising avenue to enhance the privacy of individuals within models trained on uncurated web-scraped data.

Exploiting Machine Unlearning for Backdoor Attacks in Deep Learning System. (arXiv:2310.10659v2 [cs.CR] UPDATED)

Authors: Peixin Zhang, Jun Sun, Mingtian Tan, Xinyu Wang

In recent years, the security issues of artificial intelligence have become increasingly prominent due to the rapid development of deep learning research and applications. Backdoor attack is an attack targeting the vulnerability of deep learning models, where hidden backdoors are activated by triggers embedded by the attacker, thereby outputting malicious predictions that may not align with the intended output for a given input. In this work, we propose a novel black-box backdoor attack based on machine unlearning. The attacker first augments the training set with carefully designed samples, including poison and mitigation data, to train a `benign' model. Then, the attacker posts unlearning requests for the mitigation samples to remove the impact of relevant data on the model, gradually activating the hidden backdoor. Since backdoors are implanted during the iterative unlearning process, it significantly increases the computational overhead of existing defense methods for backdoor detection or mitigation. To address this new security threat, we proposes two methods for detecting or mitigating such malicious unlearning requests. We conduct the experiment in both exact unlearning and approximate unlearning (i.e., SISA) settings. Experimental results indicate that: 1) our attack approach can successfully implant backdoor into the model, and sharding increases the difficult of attack; 2) our detection algorithms are effective in identifying the mitigation samples, while sharding reduces the effectiveness of our detection algorithms.

Optimizing accuracy and diversity: a multi-task approach to forecast combinations. (arXiv:2310.20545v2 [cs.LG] UPDATED)

Authors: Giovanni Felici, Antonio M. Sudoso

Forecast combination involves using multiple forecasts to create a single, more accurate prediction. Recently, feature-based forecasting has been employed to either select the most appropriate forecasting models or to optimize the weights of their combination. In this paper, we present a multi-task optimization paradigm that focuses on solving both problems simultaneously and enriches current operational research approaches to forecasting. In essence, it incorporates an additional learning and optimization task into the standard feature-based forecasting approach, focusing on the identification of an optimal set of forecasting methods. During the training phase, an optimization model with linear constraints and quadratic objective function is employed to identify accurate and diverse methods for each time series. Moreover, within the training phase, a neural network is used to learn the behavior of that optimization model. Once training is completed the candidate set of methods is identified using the network. The proposed approach elicits the essential role of diversity in feature-based forecasting and highlights the interplay between model combination and model selection when optimizing forecasting ensembles. Experimental results on a large set of series from the M4 competition dataset show that our proposal enhances point forecast accuracy compared to state-of-the-art methods.

On the Second-Order Convergence of Biased Policy Gradient Algorithms. (arXiv:2311.02546v2 [cs.LG] UPDATED)

Authors: Siqiao Mu, Diego Klabjan

Since the objective functions of reinforcement learning problems are typically highly nonconvex, we seek guarantees that these algorithms escape saddle points and arrive at second-order stationary points. Existing results only consider vanilla policy gradient algorithms with unbiased gradient estimators, but practical implementations under the infinite-horizon discounted reward setting are biased due to finite-horizon sampling. Moreover, actor-critic methods, whose second-order convergence has not yet been established, are also biased due to the critic approximation of the value function. We provide a novel second-order analysis of biased policy gradient methods, including the vanilla gradient estimator computed from Monte-Carlo sampling of trajectories as well as the double-loop actor-critic algorithm, where in the inner loop the the critic parameter improves the approximation of the value function via TD(0) learning. Separately, we also establish the convergence of TD(0) on Markov chains irrespective of initial state distribution.

GQKVA: Efficient Pre-training of Transformers by Grouping Queries, Keys, and Values. (arXiv:2311.03426v2 [cs.LG] UPDATED)

Authors: Farnoosh Javadi, Walid Ahmed, Habib Hajimolahoseini, Foozhan Ataiefard, Mohammad Hassanpour, Saina Asani, Austin Wen, Omar Mohamed Awad, Kangling Liu, Yang Liu

Massive transformer-based models face several challenges, including slow and computationally intensive pre-training and over-parametrization. This paper addresses these challenges by proposing a versatile method called GQKVA, which generalizes query, key, and value grouping techniques. GQKVA is designed to speed up transformer pre-training while reducing the model size. Our experiments with various GQKVA variants highlight a clear trade-off between performance and model size, allowing for customized choices based on resource and time limitations. Our findings also indicate that the conventional multi-head attention approach is not always the best choice, as there are lighter and faster alternatives available. We tested our method on ViT, which achieved an approximate 0.3% increase in accuracy while reducing the model size by about 4% in the task of image classification. Additionally, our most aggressive model reduction experiment resulted in a reduction of approximately 15% in model size, with only around a 1% drop in accuracy.

Generalized Graph Prompt: Toward a Unification of Pre-Training and Downstream Tasks on Graphs. (arXiv:2311.15317v2 [cs.LG] UPDATED)

Authors: Xingtong Yu, Zhenghao Liu, Yuan Fang, Zemin Liu, Sihong Chen, Xinming Zhang

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have become increasingly common. However, existing study of prompting on graphs is limited, lacking a universal treatment to appeal to different downstream tasks. In this paper, we propose GraphPrompt, a novel pre-training and prompting framework on graphs. GraphPrompt not only unifies pre-training and downstream tasks into a common task template but also employs a learnable prompt to assist a downstream task in locating the most relevant knowledge from the pre-trained model in a task-specific manner. To further enhance GraphPrompt in these two stages, we extend it into GraphPrompt+ with two major enhancements. First, we generalize several popular graph pre-training tasks beyond simple link prediction to broaden the compatibility with our task template. Second, we propose a more generalized prompt design that incorporates a series of prompt vectors within every layer of the pre-trained graph encoder, in order to capitalize on the hierarchical information across different layers beyond just the readout layer. Finally, we conduct extensive experiments on five public datasets to evaluate and analyze GraphPrompt and GraphPrompt+.

XLB: A Differentiable Massively Parallel Lattice Boltzmann Library in Python. (arXiv:2311.16080v2 [physics.comp-ph] UPDATED)

Authors: Mohammadmehdi Ataei, Hesam Salehipour

The lattice Boltzmann method (LBM) has emerged as a prominent technique for solving fluid dynamics problems due to its algorithmic potential for computational scalability. We introduce XLB library, a Python-based differentiable LBM library based on the JAX platform. The architecture of XLB is predicated upon ensuring accessibility, extensibility, and computational performance, enabling scaling effectively across CPU, TPU, multi-GPU, and distributed multi-GPU or TPU systems. The library can be readily augmented with novel boundary conditions, collision models, or multi-physics simulation capabilities. XLB's differentiability and data structure is compatible with the extensive JAX-based machine learning ecosystem, enabling it to address physics-based machine learning, optimization, and inverse problems. XLB has been successfully scaled to handle simulations with billions of cells, achieving giga-scale lattice updates per second. XLB is released under the permissive Apache-2.0 license and is available on GitHub at https://github.com/Autodesk/XLB.

Enabling Fast 2-bit LLM on GPUs: Memory Alignment and Asynchronous Dequantization. (arXiv:2311.16442v2 [cs.LG] UPDATED)

Authors: Jinhao Li, Shiyao Li, Jiaming Xu, Shan Huang, Yaoxiu Lian, Jun Liu, Yu Wang, Guohao Dai

Large language models (LLMs) have demonstrated impressive abilities in various domains while the inference cost is expensive. The state-of-the-art methods use 2-bit quantization for mainstream LLMs. However, challenges still exist: (1) Nonnegligible accuracy loss for 2-bit quantization. Weights are quantized by groups, while the ranges of weights are large in some groups, resulting in large quantization errors and nonnegligible accuracy loss (e.g. >3% for Llama2-7b with 2-bit quantization in GPTQ and Greenbit). (2) Limited accuracy improvement by adding 4-bit weights. Increasing 10% extra average bit more 4-bit weights only leads to <0.5% accuracy improvement on a quantized Llama2-7b. (3) Time-consuming dequantization operations on GPUs. The dequantization operations lead to >50% execution time, hindering the potential of reducing LLM inference cost. To tackle these challenges, we propose the following techniques: (1) We only quantize a small fraction of groups with the larger range using 4-bit with memory alignment consideration on GPUs.(2) We design the asynchronous dequantization on GPUs, leading to up to 3.92X speedup. We conduct extensive experiments on different model sizes. We achieve 2.85-bit for each weight and the end-to-end speedup for Llama2-7b is 1.74X over the original model, and we reduce both runtime cost and hardware cost by up to 2.70X and 2.81X with less GPU requirements.

New Online Communities: Graph Deep Learning on Anonymous Voting Networks to Identify Sybils in Polycentric Governance. (arXiv:2311.17929v2 [cs.LG] UPDATED)

Authors: Quinn DuPont

This research examines the polycentric governance of digital assets in blockchain-based Decentralized Autonomous Organizations (DAOs). It offers a theoretical framework and addresses a critical challenge facing decentralized governance by developing a method to identify sybils, or spurious identities. The method uses graph deep learning techniques to identify sybil activity in a DAO governance dataset (snapshot.org). Specifically, a Graph Convolutional Neural Network (GCNN) learned voting behaviours and a fast k-means vector clustering algorithm (FAISS) used the high dimensional embeddings to identify similar nodes in a graph. The results reveal that deep learning can effectively identify sybils, reducing the voting graph by 2-5%. This research underscores the importance of sybil resistance in DAOs and offers a novel perspective on decentralized governance, informing future policy, regulation, and governance practices.

Leveraging cache to enable SLU on tiny devices. (arXiv:2311.18188v3 [eess.AS] UPDATED)

Authors: Afsara Benazir, Zhiming Xu, Felix Xiaozhu Lin (University of Virginia)

This paper addresses spoken language understanding (SLU) on microcontroller-like embedded devices, integrating on-device execution with cloud offloading in a novel fashion. We exploit temporal locality in a device's speech inputs and accordingly reuse recent SLU inferences. Our idea is simple: let the device match new inputs against cached results, and only offload unmatched inputs to the cloud for full inference. Realization of this idea, however, is non-trivial: the device needs to compare acoustic features in a robust, low-cost way. To this end, we present XYZ, a speech cache for tiny devices. It matches speech inputs at two levels of representations: first by clustered sequences of raw sound units, then as sequences of phonemes. Working in tandem, the two representations offer complementary cost/accuracy tradeoffs. To further boost accuracy, our cache is learning: with the mismatched and then offloaded inputs, it continuously finetunes the device's feature extractors (with the assistance of the cloud). We implement XYZ on an off-the-shelf STM32 microcontroller. The resultant implementation has a small memory footprint of 2MB. Evaluated on challenging speech benchmarks, our system resolves 45%--90% of inputs on device, reducing the average latency by up to 80% compared to offloading to popular cloud speech services. Our benefit is pronounced even in adversarial settings -- noisy environments, cold cache, or one device shared by a number of users.

FedEmb: A Vertical and Hybrid Federated Learning Algorithm using Network And Feature Embedding Aggregation. (arXiv:2312.00102v3 [cs.LG] UPDATED)

Authors: Fanfei Meng, Lele Zhang, Yu Chen, Yuxin Wang

Federated learning (FL) is an emerging paradigm for decentralized training of machine learning models on distributed clients, without revealing the data to the central server. The learning scheme may be horizontal, vertical or hybrid (both vertical and horizontal). Most existing research work with deep neural network (DNN) modelling is focused on horizontal data distributions, while vertical and hybrid schemes are much less studied. In this paper, we propose a generalized algorithm FedEmb, for modelling vertical and hybrid DNN-based learning. The idea of our algorithm is characterised by higher inference accuracy, stronger privacy-preserving properties, and lower client-server communication bandwidth demands as compared with existing work. The experimental results show that FedEmb is an effective method to tackle both split feature & subject space decentralized problems, shows 0.3% to 4.2% inference accuracy improvement with limited privacy revealing for datasets stored in local clients, and reduces 88.9 % time complexity over vertical baseline method.

Empowering Autonomous Driving with Large Language Models: A Safety Perspective. (arXiv:2312.00812v2 [cs.AI] UPDATED)

Authors: Yixuan Wang, Ruochen Jiao, Chengtian Lang, Sinong Simon Zhan, Chao Huang, Zhaoran Wang, Zhuoran Yang, Qi Zhu

Autonomous Driving (AD) faces crucial hurdles for commercial launch, notably in the form of diminished public trust and safety concerns from long-tail unforeseen driving scenarios. This predicament is due to the limitation of deep neural networks in AD software, which struggle with interpretability and exhibit poor generalization capabilities in out-of-distribution and uncertain scenarios. To this end, this paper advocates for the integration of Large Language Models (LLMs) into the AD system, leveraging their robust common-sense knowledge, reasoning abilities, and human-interaction capabilities. The proposed approach deploys the LLM as an intelligent decision-maker in planning, incorporating safety verifiers for contextual safety learning to enhance overall AD performance and safety. We present results from two case studies that affirm the efficacy of our approach. We further discuss the potential integration of LLM for other AD software components including perception, prediction, and simulation. Despite the observed challenges in the case studies, the integration of LLMs is promising and beneficial for reinforcing both safety and performance in AD.

OpenVoice: Versatile Instant Voice Cloning. (arXiv:2312.01479v2 [cs.SD] UPDATED)

Authors: Zengyi Qin, Wenliang Zhao, Xumin Yu, Xin Sun

We introduce OpenVoice, a versatile voice cloning approach that requires only a short audio clip from the reference speaker to replicate their voice and generate speech in multiple languages. OpenVoice represents a significant advancement in addressing the following open challenges in the field: 1) Flexible Voice Style Control. OpenVoice enables granular control over voice styles, including emotion, accent, rhythm, pauses, and intonation, in addition to replicating the tone color of the reference speaker. The voice styles are not directly copied from and constrained by the style of the reference speaker. Previous approaches lacked the ability to flexibly manipulate voice styles after cloning. 2) Zero-Shot Cross-Lingual Voice Cloning. OpenVoice achieves zero-shot cross-lingual voice cloning for languages not included in the massive-speaker training set. Unlike previous approaches, which typically require extensive massive-speaker multi-lingual (MSML) dataset for all languages, OpenVoice can clone voices into a new language without any massive-speaker training data for that language. OpenVoice is also computationally efficient, costing tens of times less than commercially available APIs that offer even inferior performance. To foster further research in the field, we have made the source code and trained model publicly accessible. We also provide qualitative results in our demo website. Prior to its public release, our internal version of OpenVoice was used tens of millions of times by users worldwide between May and October 2023, serving as the backend of MyShell.

Dimensionality Reduction and Dynamical Mode Recognition of Circular Arrays of Flame Oscillators Using Deep Neural Network. (arXiv:2312.02462v2 [cs.LG] UPDATED)

Authors: Weiming Xu, Tao Yang, Peng Zhang

Oscillatory combustion in aero engines and modern gas turbines often has significant adverse effects on their operation, and accurately recognizing various oscillation modes is the prerequisite for understanding and controlling combustion instability. However, the high-dimensional spatial-temporal data of a complex combustion system typically poses considerable challenges to the dynamical mode recognition. Based on a two-layer bidirectional long short-term memory variational autoencoder (Bi-LSTM-VAE) dimensionality reduction model and a two-dimensional Wasserstein distance-based classifier (WDC), this study proposes a promising method (Bi-LSTM-VAE-WDC) for recognizing dynamical modes in oscillatory combustion systems. Specifically, the Bi-LSTM-VAE dimension reduction model was introduced to reduce the high-dimensional spatial-temporal data of the combustion system to a low-dimensional phase space; Gaussian kernel density estimates (GKDE) were computed based on the distribution of phase points in a grid; two-dimensional WD values were calculated from the GKDE maps to recognize the oscillation modes. The time-series data used in this study were obtained from numerical simulations of circular arrays of laminar flame oscillators. The results show that the novel Bi-LSTM-VAE method can produce a non-overlapping distribution of phase points, indicating an effective unsupervised mode recognition and classification. Furthermore, the present method exhibits a more prominent performance than VAE and PCA (principal component analysis) for distinguishing dynamical modes in complex flame systems, implying its potential in studying turbulent combustion.

Sample-based Dynamic Hierarchical Transformer with Layer and Head Flexibility via Contextual Bandit. (arXiv:2312.03038v2 [cs.LG] UPDATED)

Authors: Fanfei Meng, Lele Zhang, Yu Chen, Yuxin Wang

Transformer requires a fixed number of layers and heads which makes them inflexible to the complexity of individual samples and expensive in training and inference. To address this, we propose a sample-based Dynamic Hierarchical Transformer (DHT) model whose layers and heads can be dynamically configured with single data samples via solving contextual bandit problems. To determine the number of layers and heads, we use the Uniform Confidence Bound while we deploy combinatorial Thompson Sampling in order to select specific head combinations given their number. Different from previous work that focuses on compressing trained networks for inference only, DHT is not only advantageous for adaptively optimizing the underlying network architecture during training but also has a flexible network for efficient inference. To the best of our knowledge, this is the first comprehensive data-driven dynamic transformer without any additional auxiliary neural networks that implement the dynamic system. According to the experiment results, we achieve up to 74% computational savings for both training and inference with a minimal loss of accuracy.

PECANN: Parallel Efficient Clustering with Graph-Based Approximate Nearest Neighbor Search. (arXiv:2312.03940v2 [cs.DS] UPDATED)

Authors: Shangdi Yu, Joshua Engels, Yihao Huang, Julian Shun

This paper studies density-based clustering of point sets. These methods use dense regions of points to detect clusters of arbitrary shapes. In particular, we study variants of density peaks clustering, a popular type of algorithm that has been shown to work well in practice. Our goal is to cluster large high-dimensional datasets, which are prevalent in practice. Prior solutions are either sequential, and cannot scale to large data, or are specialized for low-dimensional data.

This paper unifies the different variants of density peaks clustering into a single framework, PECANN, by abstracting out several key steps common to this class of algorithms. One such key step is to find nearest neighbors that satisfy a predicate function, and one of the main contributions of this paper is an efficient way to do this predicate search using graph-based approximate nearest neighbor search (ANNS). To provide ample parallelism, we propose a doubling search technique that enables points to find an approximate nearest neighbor satisfying the predicate in a small number of rounds. Our technique can be applied to many existing graph-based ANNS algorithms, which can all be plugged into PECANN.

We implement five clustering algorithms with PECANN and evaluate them on synthetic and real-world datasets with up to 1.28 million points and up to 1024 dimensions on a 30-core machine with two-way hyper-threading. Compared to the state-of-the-art FASTDP algorithm for high-dimensional density peaks clustering, which is sequential, our best algorithm is 45x-734x faster while achieving competitive ARI scores. Compared to the state-of-the-art parallel DPC-based algorithm, which is optimized for low dimensions, we show that PECANN is two orders of magnitude faster. As far as we know, our work is the first to evaluate DPC variants on large high-dimensional real-world image and text embedding datasets.

AI Competitions and Benchmarks: towards impactful challenges with post-challenge papers, benchmarks and other dissemination actions. (arXiv:2312.06036v2 [cs.LG] UPDATED)

Authors: Antoine Marot, David Rousseau, Zhen Xu

Organising an AI challenge does not end with the final event. The long-lasting impact also needs to be organised. This chapter covers the various activities after the challenge is formally finished. The target audience of different post-challenge activities is identified. The various outputs of the challenge are listed with the means to collect them. The main part of the chapter is a template for a typical post-challenge paper, including possible graphs as well as advice on how to turn the challenge into a long-lasting benchmark.

Beyond Human Data: Scaling Self-Training for Problem-Solving with Language Models. (arXiv:2312.06585v2 [cs.LG] UPDATED)

Authors: Avi Singh, John D. Co-Reyes, Rishabh Agarwal, Ankesh Anand, Piyush Patil, Peter J. Liu, James Harrison, Jaehoon Lee, Kelvin Xu, Aaron Parisi, Abhishek Kumar, Alex Alemi, Alex Rizkowsky, Azade Nova, Ben Adlam, Bernd Bohnet, Gamaleldin Elsayed, Hanie Sedghi, Igor Mordatch, Isabelle Simpson, Izzeddin Gur, Jasper Snoek, Jeffrey Pennington, Jiri Hron, Kathleen Kenealy, Kevin Swersky, Kshiteej Mahajan, Laura Culp, Lechao Xiao, Maxwell L. Bileschi, Noah Constant, Roman Novak, Rosanne Liu, Tris Warkentin, Yundi Qian, Ethan Dyer, Behnam Neyshabur, Jascha Sohl-Dickstein, Noah Fiedel

Fine-tuning language models~(LMs) on human-generated data remains a prevalent practice. However, the performance of such models is often limited by the quantity and diversity of high-quality human data. In this paper, we explore whether we can go beyond human data on tasks where we have access to scalar feedback, for example, on math problems where one can verify correctness. To do so, we investigate a simple self-training method based on expectation-maximization, which we call ReST$^{EM}$, where we (1) generate samples from the model and filter them using binary feedback, (2) fine-tune the model on these samples, and (3) repeat this process a few times. Testing on advanced MATH reasoning and APPS coding benchmarks using PaLM-2 models, we find that ReST$^{EM}$ scales favorably with model size and significantly surpasses fine-tuning only on human data. Overall, our findings suggest self-training with feedback can substantially reduce dependence on human-generated data.

Towards Optimal Sobolev Norm Rates for the Vector-Valued Regularized Least-Squares Algorithm. (arXiv:2312.07186v2 [stat.ML] UPDATED)

Authors: Zhu Li, Dimitri Meunier, Mattes Mollenhauer, Arthur Gretton

We present the first optimal rates for infinite-dimensional vector-valued ridge regression on a continuous scale of norms that interpolate between $L_2$ and the hypothesis space, which we consider as a vector-valued reproducing kernel Hilbert space. These rates allow to treat the misspecified case in which the true regression function is not contained in the hypothesis space. We combine standard assumptions on the capacity of the hypothesis space with a novel tensor product construction of vector-valued interpolation spaces in order to characterize the smoothness of the regression function. Our upper bound not only attains the same rate as real-valued kernel ridge regression, but also removes the assumption that the target regression function is bounded. For the lower bound, we reduce the problem to the scalar setting using a projection argument. We show that these rates are optimal in most cases and independent of the dimension of the output space. We illustrate our results for the special case of vector-valued Sobolev spaces.

Forced Exploration in Bandit Problems. (arXiv:2312.07285v2 [cs.LG] UPDATED)

Authors: Han Qi, Fei Guo, Li Zhu

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

How Well Does GPT-4V(ision) Adapt to Distribution Shifts? A Preliminary Investigation. (arXiv:2312.07424v2 [cs.LG] UPDATED)

Authors: Zhongyi Han, Guanglin Zhou, Rundong He, Jindong Wang, Tailin Wu, Yilong Yin, Salman Khan, Lina Yao, Tongliang Liu, Kun Zhang

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

BIRB: A Generalization Benchmark for Information Retrieval in Bioacoustics. (arXiv:2312.07439v2 [cs.LG] UPDATED)

Authors: Jenny Hamer, Eleni Triantafillou, Bart van Merriënboer, Stefan Kahl, Holger Klinck, Tom Denton, Vincent Dumoulin

The ability for a machine learning model to cope with differences in training and deployment conditions--e.g. in the presence of distribution shift or the generalization to new classes altogether--is crucial for real-world use cases. However, most empirical work in this area has focused on the image domain with artificial benchmarks constructed to measure individual aspects of generalization. We present BIRB, a complex benchmark centered on the retrieval of bird vocalizations from passively-recorded datasets given focal recordings from a large citizen science corpus available for training. We propose a baseline system for this collection of tasks using representation learning and a nearest-centroid search. Our thorough empirical evaluation and analysis surfaces open research directions, suggesting that BIRB fills the need for a more realistic and complex benchmark to drive progress on robustness to distribution shifts and generalization of ML models.

A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems. (arXiv:2312.07511v1 [cs.LG] CROSS LISTED)

Authors: Alexandre Duval, Simon V. Mathis, Chaitanya K. Joshi, Victor Schmidt, Santiago Miret, Fragkiskos D. Malliaros, Taco Cohen, Pietro Lio, Yoshua Bengio, Michael Bronstein

Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage -- such as physical symmetries and chemical properties -- to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures:(1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.