AS-XAI: Self-supervised Automatic Semantic Interpretation for CNN. (arXiv:2312.14935v1 [cs.CV])

Authors: Changqi Sun, Hao Xu, Yuntian Chen, Dongxiao Zhang

Explainable artificial intelligence (XAI) aims to develop transparent explanatory approaches for "black-box" deep learning models. However,it remains difficult for existing methods to achieve the trade-off of the three key criteria in interpretability, namely, reliability, causality, and usability, which hinder their practical applications. In this paper, we propose a self-supervised automatic semantic interpretable explainable artificial intelligence (AS-XAI) framework, which utilizes transparent orthogonal embedding semantic extraction spaces and row-centered principal component analysis (PCA) for global semantic interpretation of model decisions in the absence of human interference, without additional computational costs. In addition, the invariance of filter feature high-rank decomposition is used to evaluate model sensitivity to different semantic concepts. Extensive experiments demonstrate that robust and orthogonal semantic spaces can be automatically extracted by AS-XAI, providing more effective global interpretability for convolutional neural networks (CNNs) and generating human-comprehensible explanations. The proposed approach offers broad fine-grained extensible practical applications, including shared semantic interpretation under out-of-distribution (OOD) categories, auxiliary explanations for species that are challenging to distinguish, and classification explanations from various perspectives.

PerCNet: Periodic Complete Representation for Crystal Graphs. (arXiv:2312.14936v1 [cond-mat.mtrl-sci])

Authors: Jiao Huang, Qianli Xing, Jinglong Ji, Bo Yang

Crystal material representation is the foundation of crystal material research. Existing works consider crystal molecules as graph data with different representation methods and leverage the advantages of techniques in graph learning. A reasonable crystal representation method should capture the local and global information. However, existing methods only consider the local information of crystal molecules by modeling the bond distance and bond angle of first-order neighbors of atoms, which leads to the issue that different crystals will have the same representation. To solve this many-to-one issue, we consider the global information by further considering dihedral angles, which can guarantee that the proposed representation corresponds one-to-one with the crystal material. We first propose a periodic complete representation and calculation algorithm for infinite extended crystal materials. A theoretical proof for the representation that satisfies the periodic completeness is provided. Based on the proposed representation, we then propose a network for predicting crystal material properties, PerCNet, with a specially designed message passing mechanism. Extensive experiments are conducted on two real-world material benchmark datasets. The PerCNet achieves the best performance among baseline methods in terms of MAE. In addition, our results demonstrate the importance of the periodic scheme and completeness for crystal representation learning.

Large-scale Graph Representation Learning of Dynamic Brain Connectome with Transformers. (arXiv:2312.14939v1 [q-bio.NC])

Authors: Byung-Hoon Kim, Jungwon Choi, EungGu Yun, Kyungsang Kim, Xiang Li, Juho Lee

Graph Transformers have recently been successful in various graph representation learning tasks, providing a number of advantages over message-passing Graph Neural Networks. Utilizing Graph Transformers for learning the representation of the brain functional connectivity network is also gaining interest. However, studies to date have underlooked the temporal dynamics of functional connectivity, which fluctuates over time. Here, we propose a method for learning the representation of dynamic functional connectivity with Graph Transformers. Specifically, we define the connectome embedding, which holds the position, structure, and time information of the functional connectivity graph, and use Transformers to learn its representation across time. We perform experiments with over 50,000 resting-state fMRI samples obtained from three datasets, which is the largest number of fMRI data used in studies by far. The experimental results show that our proposed method outperforms other competitive baselines in gender classification and age regression tasks based on the functional connectivity extracted from the fMRI data.

Multi-Criteria Client Selection and Scheduling with Fairness Guarantee for Federated Learning Service. (arXiv:2312.14941v1 [cs.DC])

Authors: Meiying Zhang, Huan Zhao, Sheldon Ebron, Ruitao Xie, Kan Yang

Federated Learning (FL) enables multiple clients to train machine learning models collaboratively without sharing the raw training data. However, for a given FL task, how to select a group of appropriate clients fairly becomes a challenging problem due to budget restrictions and client heterogeneity. In this paper, we propose a multi-criteria client selection and scheduling scheme with a fairness guarantee, comprising two stages: 1) preliminary client pool selection, and 2) per-round client scheduling. Specifically, we first define a client selection metric informed by several criteria, such as client resources, data quality, and client behaviors. Then, we formulate the initial client pool selection problem into an optimization problem that aims to maximize the overall scores of selected clients within a given budget and propose a greedy algorithm to solve it. To guarantee fairness, we further formulate the per-round client scheduling problem and propose a heuristic algorithm to divide the client pool into several subsets such that every client is selected at least once while guaranteeing that the `integrated' dataset in a subset is close to an independent and identical distribution (iid). Our experimental results show that our scheme can improve the model quality especially when data are non-iid.

Flood Event Extraction from News Media to Support Satellite-Based Flood Insurance. (arXiv:2312.14943v1 [cs.IR])

Authors: Tejit Pabari, Beth Tellman, Giannis Karamanolakis, Mitchell Thomas, Max Mauerman, Eugene Wu, Upmanu Lall, Marco Tedesco, Michael S Steckler, Paolo Colosio, Daniel E Osgood, Melody Braun, Jens de Bruijn, Shammun Islam

Floods cause large losses to property, life, and livelihoods across the world every year, hindering sustainable development. Safety nets to help absorb financial shocks in disasters, such as insurance, are often unavailable in regions of the world most vulnerable to floods, like Bangladesh. Index-based insurance has emerged as an affordable solution, which considers weather data or information from satellites to create a "flood index" that should correlate with the damage insured. However, existing flood event databases are often incomplete, and satellite sensors are not reliable under extreme weather conditions (e.g., because of clouds), which limits the spatial and temporal resolution of current approaches for index-based insurance.

In this work, we explore a novel approach for supporting satellite-based flood index insurance by extracting high-resolution spatio-temporal information from news media. First, we publish a dataset consisting of 40,000 news articles covering flood events in Bangladesh by 10 prominent news sources, and inundated area estimates for each division in Bangladesh collected from a satellite radar sensor. Second, we show that keyword-based models are not adequate for this novel application, while context-based classifiers cover complex and implicit flood related patterns. Third, we show that time series extracted from news media have substantial correlation Spearman's rho$=0.70 with satellite estimates of inundated area. Our work demonstrates that news media is a promising source for improving the temporal resolution and expanding the spatial coverage of the available flood damage data.

An Evolving Population Approach to Data-Stream Classification with Extreme Verification Latency. (arXiv:2312.14948v1 [cs.NE])

Authors: Conor Fahy, Shengxiang Yang

Recognising and reacting to change in non-stationary data-streams is a challenging task. The majority of research in this area assumes that the true class label of incoming points are available, either at each time step or intermittently with some latency. In the worse case this latency approaches infinity and we can assume that no labels are available beyond the initial training set. When change is expected and no further training labels are provided the challenge of maintaining a high classification accuracy is very great. The challenge is to propagate the original training information through several timesteps, possibly indefinitely, while adapting to underlying change in the data-stream. In this paper we conduct an initial study into the effectiveness of using an evolving, population-based approach as the mechanism for adapting to change. An ensemble of one-class-classifiers is maintained for each class. Each classifier is considered as an agent in the sub-population and is subject to selection pressure to find interesting areas of the feature space. This selection pressure forces the ensemble to adapt to the underlying change in the data-stream.

Neuromorphic Co-Design as a Game. (arXiv:2312.14954v1 [cs.NE])

Authors: Craig M. Vineyard, William M. Severa, James B. Aimone

Co-design is a prominent topic presently in computing, speaking to the mutual benefit of coordinating design choices of several layers in the technology stack. For example, this may be designing algorithms which can most efficiently take advantage of the acceleration properties of a given architecture, while simultaneously designing the hardware to support the structural needs of a class of computation. The implications of these design decisions are influential enough to be deemed a lottery, enabling an idea to win out over others irrespective of the individual merits. Coordination is a well studied topic in the mathematics of game theory, where in many cases without a coordination mechanism the outcome is sub-optimal. Here we consider what insights game theoretic analysis can offer for computer architecture co-design. In particular, we consider the interplay between algorithm and architecture advances in the field of neuromorphic computing. Analyzing developments of spiking neural network algorithms and neuromorphic hardware as a co-design game we use the Stag Hunt model to illustrate challenges for spiking algorithms or architectures to advance the field independently and advocate for a strategic pursuit to advance neuromorphic computing.

Graph Neural Network-Based Bandwidth Allocation for Secure Wireless Communications. (arXiv:2312.14958v1 [cs.IT])

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

This paper designs a graph neural network (GNN) to improve bandwidth allocations for multiple legitimate wireless users transmitting to a base station in the presence of an eavesdropper. To improve the privacy and prevent eavesdropping attacks, we propose a user scheduling algorithm to schedule users satisfying an instantaneous minimum secrecy rate constraint. Based on this, we optimize the bandwidth allocations with three algorithms namely iterative search (IvS), GNN-based supervised learning (GNN-SL), and GNN-based unsupervised learning (GNN-USL). We present a computational complexity analysis which shows that GNN-SL and GNN-USL can be more efficient compared to IvS which is limited by the bandwidth block size. Numerical simulation results highlight that our proposed GNN-based resource allocations can achieve a comparable sum secrecy rate compared to IvS with significantly lower computational complexity. Furthermore, we observe that the GNN approach is more robust to uncertainties in the eavesdropper's channel state information, especially compared with the best channel allocation scheme.

Optimizing Mario Adventures in a Constrained Environment. (arXiv:2312.14963v1 [cs.NE])

Authors: Sanyam Jain

This project proposes and compares a new way to optimise Super Mario Bros. (SMB) environment where the control is in hand of two approaches, namely, Genetic Algorithm (MarioGA) and NeuroEvolution (MarioNE). Not only we learn playing SMB using these techniques, but also optimise it with constrains of collection of coins and finishing levels. Firstly, we formalise the SMB agent to maximize the total value of collected coins (reward) and maximising the total distance traveled (reward) in order to finish the level faster (time penalty) for both the algorithms. Secondly, we study MarioGA and its evaluation function (fitness criteria) including its representation methods, crossover used, mutation operator formalism, selection method used, MarioGA loop, and few other parameters. Thirdly, MarioNE is applied on SMB where a population of ANNs with random weights is generated, and these networks control Marios actions in the game. Fourth, SMB is further constrained to complete the task within the specified time, rebirths (deaths) within the limit, and performs actions or moves within the maximum allowed moves, while seeking to maximize the total coin value collected. This ensures an efficient way of finishing SMB levels. Finally, we provide a fivefold comparative analysis by plotting fitness plots, ability to finish different levels of world 1, and domain adaptation (transfer learning) of the trained models.

Unraveling the Temporal Dynamics of the Unet in Diffusion Models. (arXiv:2312.14965v1 [cs.CV])

Authors: Vidya Prasad, Chen Zhu-Tian, Anna Vilanova, Hanspeter Pfister, Nicola Pezzotti, Hendrik Strobelt

Diffusion models have garnered significant attention since they can effectively learn complex multivariate Gaussian distributions, resulting in diverse, high-quality outcomes. They introduce Gaussian noise into training data and reconstruct the original data iteratively. Central to this iterative process is a single Unet, adapting across time steps to facilitate generation. Recent work revealed the presence of composition and denoising phases in this generation process, raising questions about the Unets' varying roles. Our study dives into the dynamic behavior of Unets within denoising diffusion probabilistic models (DDPM), focusing on (de)convolutional blocks and skip connections across time steps. We propose an analytical method to systematically assess the impact of time steps and core Unet components on the final output. This method eliminates components to study causal relations and investigate their influence on output changes. The main purpose is to understand the temporal dynamics and identify potential shortcuts during inference. Our findings provide valuable insights into the various generation phases during inference and shed light on the Unets' usage patterns across these phases. Leveraging these insights, we identify redundancies in GLIDE (an improved DDPM) and improve inference time by ~27% with minimal degradation in output quality. Our ultimate goal is to guide more informed optimization strategies for inference and influence new model designs.

Multi-Armed Bandit Learning for Content Provisioning in Network of UAVs. (arXiv:2312.14967v1 [cs.NI])

Authors: Amit Kumar Bhuyan, Hrishikesh Dutta, Subir Biswas

This paper proposes an unmanned aerial vehicle (UAV) aided content management system in communication-challenged disaster scenarios. Without cellular infrastructure in such scenarios, community of stranded users can be provided access to situation-critical contents using a hybrid network of static and traveling UAVs. A set of relatively static anchor UAVs can download content from central servers and provide content access to its local users. A set of ferrying UAVs with wider mobility can provision content to users by shuffling them across different anchor UAVs while visiting different communities of users. The objective is to design a content dissemination system that on-the-fly learns content caching policies for maximizing content availability to the stranded users. This paper proposes a decentralized Top-k Multi-Armed Bandit Learning model for UAV-caching decision-making that takes geo-temporal differences in content popularity and heterogeneity in content demands into consideration. The proposed paradigm is able to combine the expected reward maximization attribute and a proposed multi-dimensional reward structure of Top-k Multi-Armed Bandit, for caching decision at the UAVs. This study is done for different user-specified tolerable access delay, heterogeneous popularity distributions, and inter-community geographical characteristics. Functional verification and performance evaluation of the proposed caching framework is done for a wide range of network size, UAV distribution, and content popularity.

Enhancing Edge Intelligence with Highly Discriminant LNT Features. (arXiv:2312.14968v1 [eess.IV])

Authors: Xinyu Wang, Vinod K. Mishra, C.-C. Jay Kuo

AI algorithms at the edge demand smaller model sizes and lower computational complexity. To achieve these objectives, we adopt a green learning (GL) paradigm rather than the deep learning paradigm. GL has three modules: 1) unsupervised representation learning, 2) supervised feature learning, and 3) supervised decision learning. We focus on the second module in this work. In particular, we derive new discriminant features from proper linear combinations of input features, denoted by x, obtained in the first module. They are called complementary and raw features, respectively. Along this line, we present a novel supervised learning method to generate highly discriminant complementary features based on the least-squares normal transform (LNT). LNT consists of two steps. First, we convert a C-class classification problem to a binary classification problem. The two classes are assigned with 0 and 1, respectively. Next, we formulate a least-squares regression problem from the N-dimensional (N-D) feature space to the 1-D output space, and solve the least-squares normal equation to obtain one N-D normal vector, denoted by a1. Since one normal vector is yielded by one binary split, we can obtain M normal vectors with M splits. Then, Ax is called an LNT of x, where transform matrix A in R^{M by N} by stacking aj^T, j=1, ..., M, and the LNT, Ax, can generate M new features. The newly generated complementary features are shown to be more discriminant than the raw features. Experiments show that the classification performance can be improved by these new features.

Scaling Down to Scale Up: A Cost-Benefit Analysis of Replacing OpenAI's GPT-4 with Self-Hosted Open Source SLMs in Production. (arXiv:2312.14972v1 [cs.SE])

Authors: Chandra Irugalbandara, Ashish Mahendra, Roland Daynauth, Tharuka Kasthuri Arachchige, Krisztian Flautner, Lingjia Tang, Yiping Kang, Jason Mars

Many companies rely on APIs of managed AI models such as OpenAI's GPT-4 to create AI-enabled experiences in their products. Along with the benefits of ease of use and shortened time to production, this reliance on proprietary APIs has downsides in terms of model control, performance reliability, up-time predictability, and cost. At the same time, there has been a flurry of open source small language models (SLMs) that have been made available for commercial use. However, their readiness to replace existing capabilities remains unclear, and a systematic approach to test these models is not readily available. In this paper, we present a systematic evaluation methodology for, and characterization of, modern open source SLMs and their trade-offs when replacing a proprietary LLM APIs for a real-world product feature. We have designed SLaM, an automated analysis tool that enables the quantitative and qualitative testing of product features utilizing arbitrary SLMs. Using SLaM, we examine both the quality and the performance characteristics of modern SLMs relative to an existing customer-facing OpenAI-based implementation. We find that across 9 SLMs and 29 variants, we observe competitive quality-of-results for our use case, significant performance consistency improvement, and a cost reduction of 5x-29x when compared to OpenAI GPT-4.

Unsupervised Random Quantum Networks for PDEs. (arXiv:2312.14975v1 [quant-ph])

Authors: Josh Dees, Antoine Jacquier, Sylvain Laizet

Classical Physics-informed neural networks (PINNs) approximate solutions to PDEs with the help of deep neural networks trained to satisfy the differential operator and the relevant boundary conditions. We revisit this idea in the quantum computing realm, using parameterised random quantum circuits as trial solutions. We further adapt recent PINN-based techniques to our quantum setting, in particular Gaussian smoothing. Our analysis concentrates on the Poisson, the Heat and the Hamilton-Jacobi-Bellman equations, which are ubiquitous in most areas of science. On the theoretical side, we develop a complexity analysis of this approach, and show numerically that random quantum networks can outperform more traditional quantum networks as well as random classical networks.

Diffusion Models for Generative Artificial Intelligence: An Introduction for Applied Mathematicians. (arXiv:2312.14977v1 [cs.LG])

Authors: Catherine F. Higham, Desmond J. Higham, Peter Grindrod

Generative artificial intelligence (AI) refers to algorithms that create synthetic but realistic output. Diffusion models currently offer state of the art performance in generative AI for images. They also form a key component in more general tools, including text-to-image generators and large language models. Diffusion models work by adding noise to the available training data and then learning how to reverse the process. The reverse operation may then be applied to new random data in order to produce new outputs. We provide a brief introduction to diffusion models for applied mathematicians and statisticians. Our key aims are (a) to present illustrative computational examples, (b) to give a careful derivation of the underlying mathematical formulas involved, and (c) to draw a connection with partial differential equation (PDE) diffusion models. We provide code for the computational experiments. We hope that this topic will be of interest to advanced undergraduate students and postgraduate students. Portions of the material may also provide useful motivational examples for those who teach courses in stochastic processes, inference, machine learning, PDEs or scientific computing.

On Quantifying Sentiments of Financial News -- Are We Doing the Right Things?. (arXiv:2312.14978v1 [cs.IR])

Authors: Gourab Nath, Arav Sood, Aanchal Khanna, Savi Wilson, Karan Manot, Sree Kavya Durbaka

Typical investors start off the day by going through the daily news to get an intuition about the performance of the market. The speculations based on the tone of the news ultimately shape their responses towards the market. Today, computers are being trained to compute the news sentiment so that it can be used as a variable to predict stock market movements and returns. Some researchers have even developed news-based market indices to forecast stock market returns. Majority of the research in the field of news sentiment analysis has focussed on using libraries like Vader, Loughran-McDonald (LM), Harvard IV and Pattern. However, are the popular approaches for measuring financial news sentiment really approaching the problem of sentiment analysis correctly? Our experiments suggest that measuring sentiments using these libraries, especially for financial news, fails to depict the true picture and hence may not be very reliable. Therefore, the question remains: What is the most effective and accurate approach to measure financial news sentiment? Our paper explores these questions and attempts to answer them through SENTInews: a one-of-its-kind financial news sentiment analyzer customized to the Indian context

Stacked tensorial neural networks for reduced-order modeling of a parametric partial differential equation. (arXiv:2312.14979v1 [cs.LG])

Authors: Caleb G. Wagner

Tensorial neural networks (TNNs) combine the successes of multilinear algebra with those of deep learning to enable extremely efficient reduced-order models of high-dimensional problems. Here, I describe a deep neural network architecture that fuses multiple TNNs into a larger network, intended to solve a broader class of problems than a single TNN. I evaluate this architecture, referred to as a "stacked tensorial neural network" (STNN), on a parametric PDE with three independent variables and three parameters. The three parameters correspond to one PDE coefficient and two quantities describing the domain geometry. The STNN provides an accurate reduced-order description of the solution manifold over a wide range of parameters. There is also evidence of meaningful generalization to parameter values outside its training data. Finally, while the STNN architecture is relatively simple and problem agnostic, it can be regularized to incorporate problem-specific features like symmetries and physical modeling assumptions.

TPTNet: A Data-Driven Temperature Prediction Model Based on Turbulent Potential Temperature. (arXiv:2312.14980v1 [cs.LG])

Authors: Jun Park, Changhoon Lee

A data-driven model for predicting the surface temperature using neural networks was proposed to alleviate the computational burden of numerical weather prediction (NWP). Our model, named TPTNet uses only 2m temperature measured at the weather stations of the South Korean Peninsula as input to predict the local temperature at finite forecast hours. The turbulent fluctuation component of the temperature was extracted from the station measurements by separating the climatology component accounting for the yearly and daily variations. The effect of station altitude was then compensated by introducing a potential temperature. The resulting turbulent potential temperature data at irregularly distributed stations were used as input for predicting the turbulent potential temperature at forecast hours through three trained networks based on convolutional neural network (CNN), Swin Transformer, and a graphic neural network (GNN). The prediction performance of our network was compared with that of persistence and NWP, confirming that our model outperformed NWP for up to 12 forecast hours.

Deformable Image Registration with Stochastically Regularized Biomechanical Equilibrium. (arXiv:2312.14987v1 [eess.IV])

Authors: Pablo Alvarez (MIMESIS), Stéphane Cotin (MIMESIS)

Numerous regularization methods for deformable image registration aim at enforcing smooth transformations, but are difficult to tune-in a priori and lack a clear physical basis. Physically inspired strategies have emerged, offering a sound theoretical basis, but still necessitating complex discretization and resolution schemes. This study introduces a regularization strategy that does not require discretization, making it compatible with current registration frameworks, while retaining the benefits of physically motivated regularization for medical image registration. The proposed method performs favorably in both synthetic and real datasets, exhibiting an accuracy comparable to current state-of-the-art methods.

Learning to Prompt Knowledge Transfer for Open-World Continual Learning. (arXiv:2312.14990v1 [cs.LG])

Authors: Yujie Li, Xin Yang, Hao Wang, Xiangkun Wang, Tianrui Li

This paper studies the problem of continual learning in an open-world scenario, referred to as Open-world Continual Learning (OwCL). OwCL is increasingly rising while it is highly challenging in two-fold: i) learning a sequence of tasks without forgetting knowns in the past, and ii) identifying unknowns (novel objects/classes) in the future. Existing OwCL methods suffer from the adaptability of task-aware boundaries between knowns and unknowns, and do not consider the mechanism of knowledge transfer. In this work, we propose Pro-KT, a novel prompt-enhanced knowledge transfer model for OwCL. Pro-KT includes two key components: (1) a prompt bank to encode and transfer both task-generic and task-specific knowledge, and (2) a task-aware open-set boundary to identify unknowns in the new tasks. Experimental results using two real-world datasets demonstrate that the proposed Pro-KT outperforms the state-of-the-art counterparts in both the detection of unknowns and the classification of knowns markedly.

Bridging AI and Clinical Practice: Integrating Automated Sleep Scoring Algorithm with Uncertainty-Guided Physician Review. (arXiv:2312.14996v1 [cs.LG])

Authors: Michal Bechny (1 and 2), Giuliana Monachino (1 and 2), Luigi Fiorillo (2), Julia van der Meer (3), Markus H. Schmidt (3 and 4), Claudio L. A. Bassetti (3), Athina Tzovara (1 and 5), Francesca D. Faraci (2) ((1) Institute of Computer Science, University of Bern, Bern, Switzerland (2) Institute of Digital Technologies for Personalized Healthcare (MeDiTech), University of Applied Sciences and Arts of Southern Switzerland, Lugano, Switzerland (3) Department of Neurology, Inselspital, Bern University Hospital, University of Bern, Bern, Switzerland (4) Ohio Sleep Medicine Institute, Dublin, United States (5) Center for Experimental Neurology, Department of Neurology, Inselspital, Bern University Hospital, University of Bern, Bern, Switzerland)

Purpose: This study aims to enhance the clinical use of automated sleep-scoring algorithms by incorporating an uncertainty estimation approach to efficiently assist clinicians in the manual review of predicted hypnograms, a necessity due to the notable inter-scorer variability inherent in polysomnography (PSG) databases. Our efforts target the extent of review required to achieve predefined agreement levels, examining both in-domain and out-of-domain data, and considering subjects diagnoses. Patients and methods: Total of 19578 PSGs from 13 open-access databases were used to train U-Sleep, a state-of-the-art sleep-scoring algorithm. We leveraged a comprehensive clinical database of additional 8832 PSGs, covering a full spectrum of ages and sleep-disorders, to refine the U-Sleep, and to evaluate different uncertainty-quantification approaches, including our novel confidence network. The ID data consisted of PSGs scored by over 50 physicians, and the two OOD sets comprised recordings each scored by a unique senior physician. Results: U-Sleep demonstrated robust performance, with Cohen's kappa (K) at 76.2% on ID and 73.8-78.8% on OOD data. The confidence network excelled at identifying uncertain predictions, achieving AUROC scores of 85.7% on ID and 82.5-85.6% on OOD data. Independently of sleep-disorder status, statistical evaluations revealed significant differences in confidence scores between aligning vs discording predictions, and significant correlations of confidence scores with classification performance metrics. To achieve K of at least 90% with physician intervention, examining less than 29.0% of uncertain epochs was required, substantially reducing physicians workload, and facilitating near-perfect agreement.

Discovering modular solutions that generalize compositionally. (arXiv:2312.15001v1 [cs.LG])

Authors: Simon Schug, Seijin Kobayashi, Yassir Akram, Maciej Wołczyk, Alexandra Proca, Johannes von Oswald, Razvan Pascanu, João Sacramento, Angelika Steger

Many complex tasks and environments can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to expedite adaptation and enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. While most of these systems are monolithic, modularity promises to allow capturing the compositional nature of many tasks. However, it is unclear under which circumstances modular systems discover this hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. We show theoretically that identification up to linear transformation purely from demonstrations is possible in hypernetworks without having to learn an exponential number of module combinations. While our theory assumes the infinite data limit, in an extensive empirical study we demonstrate how meta-learning from finite data can discover modular solutions that generalize compositionally in modular but not monolithic architectures. We further show that our insights translate outside the teacher-student setting and demonstrate that in tasks with compositional preferences and tasks with compositional goals hypernetworks can discover modular policies that compositionally generalize.

C2FAR: Coarse-to-Fine Autoregressive Networks for Precise Probabilistic Forecasting. (arXiv:2312.15002v1 [cs.LG])

Authors: Shane Bergsma, Timothy Zeyl, Javad Rahimipour Anaraki, Lei Guo

We present coarse-to-fine autoregressive networks (C2FAR), a method for modeling the probability distribution of univariate, numeric random variables. C2FAR generates a hierarchical, coarse-to-fine discretization of a variable autoregressively; progressively finer intervals of support are generated from a sequence of binned distributions, where each distribution is conditioned on previously-generated coarser intervals. Unlike prior (flat) binned distributions, C2FAR can represent values with exponentially higher precision, for only a linear increase in complexity. We use C2FAR for probabilistic forecasting via a recurrent neural network, thus modeling time series autoregressively in both space and time. C2FAR is the first method to simultaneously handle discrete and continuous series of arbitrary scale and distribution shape. This flexibility enables a variety of time series use cases, including anomaly detection, interpolation, and compression. C2FAR achieves improvements over the state-of-the-art on several benchmark forecasting datasets.

Assessing the Impact of Prompting, Persona, and Chain of Thought Methods on ChatGPT's Arithmetic Capabilities. (arXiv:2312.15006v1 [cs.AI])

Authors: Yuhao Chen, Chloe Wong, Hanwen Yang, Juan Aguenza, Sai Bhujangari, Benthan Vu, Xun Lei, Amisha Prasad, Manny Fluss, Eric Phuong, Minghao Liu, James Davis

This study critically evaluates the mathematical proficiency of OpenAI's language model, ChatGPT, by juxtaposing its default computational capabilities against the efficiency of three prescriptive methods: strategic prompting, persona implementation, and the Chain of Thought approach. The evaluation harnessed the diverse and extensive problem sets from the MATH, GSM8K, and MMLU data-sets, which encompassing a broad spectrum of mathematical conundrums and levels of complexity. A sophisticated grading script was designed to determine the efficacy of these interventions in enhancing the model's mathematical precision. Contrary to expectations, our empirical analysis revealed that none of the trialed methods substantially improved ChatGPT's baseline performance. In some cases, these interventions inadvertently disrupted the model's response generation. This investigation concluded that while the pursuit of innovative strategies for augmenting language model performance remains crucial, the specific methods examined within this study did not induce significant improvements in ChatGPT's computational aptitude. These findings underscore the importance of further comprehensive research and exploration of novel techniques to enhance the precision and dependability of such models across diverse domains.

Federated Q-Learning: Linear Regret Speedup with Low Communication Cost. (arXiv:2312.15023v1 [cs.LG])

Authors: Zhong Zheng, Fengyu Gao, Lingzhou Xue, Jing Yang

In this paper, we consider federated reinforcement learning for tabular episodic Markov Decision Processes (MDP) where, under the coordination of a central server, multiple agents collaboratively explore the environment and learn an optimal policy without sharing their raw data. While linear speedup in the number of agents has been achieved for some metrics, such as convergence rate and sample complexity, in similar settings, it is unclear whether it is possible to design a model-free algorithm to achieve linear regret speedup with low communication cost. We propose two federated Q-Learning algorithms termed as FedQ-Hoeffding and FedQ-Bernstein, respectively, and show that the corresponding total regrets achieve a linear speedup compared with their single-agent counterparts when the time horizon is sufficiently large, while the communication cost scales logarithmically in the total number of time steps $T$. Those results rely on an event-triggered synchronization mechanism between the agents and the server, a novel step size selection when the server aggregates the local estimates of the state-action values to form the global estimates, and a set of new concentration inequalities to bound the sum of non-martingale differences. This is the first work showing that linear regret speedup and logarithmic communication cost can be achieved by model-free algorithms in federated reinforcement learning.

SODA: Protecting Proprietary Information in On-Device Machine Learning Models. (arXiv:2312.15036v1 [cs.LG])

Authors: Akanksha Atrey, Ritwik Sinha, Saayan Mitra, Prashant Shenoy

The growth of low-end hardware has led to a proliferation of machine learning-based services in edge applications. These applications gather contextual information about users and provide some services, such as personalized offers, through a machine learning (ML) model. A growing practice has been to deploy such ML models on the user's device to reduce latency, maintain user privacy, and minimize continuous reliance on a centralized source. However, deploying ML models on the user's edge device can leak proprietary information about the service provider. In this work, we investigate on-device ML models that are used to provide mobile services and demonstrate how simple attacks can leak proprietary information of the service provider. We show that different adversaries can easily exploit such models to maximize their profit and accomplish content theft. Motivated by the need to thwart such attacks, we present an end-to-end framework, SODA, for deploying and serving on edge devices while defending against adversarial usage. Our results demonstrate that SODA can detect adversarial usage with 89% accuracy in less than 50 queries with minimal impact on service performance, latency, and storage.

Probabilistic Modeling for Sequences of Sets in Continuous-Time. (arXiv:2312.15045v1 [cs.LG])

Authors: Yuxin Chang, Alex Boyd, Padhraic Smyth

Neural marked temporal point processes have been a valuable addition to the existing toolbox of statistical parametric models for continuous-time event data. These models are useful for sequences where each event is associated with a single item (a single type of event or a "mark") -- but such models are not suited for the practical situation where each event is associated with a set of items. In this work, we develop a general framework for modeling set-valued data in continuous-time, compatible with any intensity-based recurrent neural point process model. In addition, we develop inference methods that can use such models to answer probabilistic queries such as "the probability of item $A$ being observed before item $B$," conditioned on sequence history. Computing exact answers for such queries is generally intractable for neural models due to both the continuous-time nature of the problem setting and the combinatorially-large space of potential outcomes for each event. To address this, we develop a class of importance sampling methods for querying with set-based sequences and demonstrate orders-of-magnitude improvements in efficiency over direct sampling via systematic experiments with four real-world datasets. We also illustrate how to use this framework to perform model selection using likelihoods that do not involve one-step-ahead prediction.

Information-seeking polynomial NARX model-predictive control through expected free energy minimization. (arXiv:2312.15046v1 [eess.SY])

Authors: Wouter M. Kouw

We propose an adaptive model-predictive controller that balances driving the system to a goal state and seeking system observations that are informative with respect to the parameters of a nonlinear autoregressive exogenous model. The controller's objective function is derived from an expected free energy functional and contains information-theoretic terms expressing uncertainty over model parameters and output predictions. Experiments illustrate how parameter uncertainty affects the control objective and evaluate the proposed controller for a pendulum swing-up task.

Deep Learning for Efficient GWAS Feature Selection. (arXiv:2312.15055v1 [q-bio.GN])

Authors: Kexuan Li

Genome-Wide Association Studies (GWAS) face unique challenges in the era of big genomics data, particularly when dealing with ultra-high-dimensional datasets where the number of genetic features significantly exceeds the available samples. This paper introduces an extension to the feature selection methodology proposed by Mirzaei et al. (2020), specifically tailored to tackle the intricacies associated with ultra-high-dimensional GWAS data. Our extended approach enhances the original method by introducing a Frobenius norm penalty into the student network, augmenting its capacity to adapt to scenarios characterized by a multitude of features and limited samples. Operating seamlessly in both supervised and unsupervised settings, our method employs two key neural networks. The first leverages an autoencoder or supervised autoencoder for dimension reduction, extracting salient features from the ultra-high-dimensional genomic data. The second network, a regularized feed-forward model with a single hidden layer, is designed for precise feature selection. The introduction of the Frobenius norm penalty in the student network significantly boosts the method's resilience to the challenges posed by ultra-high-dimensional GWAS datasets. Experimental results showcase the efficacy of our approach in feature selection for GWAS data. The method not only handles the inherent complexities of ultra-high-dimensional settings but also demonstrates superior adaptability to the nuanced structures present in genomics data. The flexibility and versatility of our proposed methodology are underscored by its successful performance across a spectrum of experiments.

The State of Documentation Practices of Third-party Machine Learning Models and Datasets. (arXiv:2312.15058v1 [cs.SE])

Authors: Ernesto Lang Oreamuno, Rohan Faiyaz Khan, Abdul Ali Bangash, Catherine Stinson, Bram Adams

Model stores offer third-party ML models and datasets for easy project integration, minimizing coding efforts. One might hope to find detailed specifications of these models and datasets in the documentation, leveraging documentation standards such as model and dataset cards. In this study, we use statistical analysis and hybrid card sorting to assess the state of the practice of documenting model cards and dataset cards in one of the largest model stores in use today--Hugging Face (HF). Our findings show that only 21,902 models (39.62\%) and 1,925 datasets (28.48\%) have documentation. Furthermore, we observe inconsistency in ethics and transparency-related documentation for ML models and datasets.

A universal approximation theorem for nonlinear resistive networks. (arXiv:2312.15063v1 [cs.LG])

Authors: Benjamin Scellier, Siddhartha Mishra

Resistor networks have recently had a surge of interest as substrates for energy-efficient self-learning machines. This work studies the computational capabilities of these resistor networks. We show that electrical networks composed of voltage sources, linear resistors, diodes and voltage-controlled voltage sources (VCVS) can implement any continuous functions. To prove it, we assume that the circuit elements are ideal and that the conductances of variable resistors and the amplification factors of the VCVS's can take arbitrary values -- arbitrarily small or arbitrarily large. The constructive nature of our proof could also inform the design of such self-learning electrical networks.

Joint Self-Supervised and Supervised Contrastive Learning for Multimodal MRI Data: Towards Predicting Abnormal Neurodevelopment. (arXiv:2312.15064v1 [eess.IV])

Authors: Zhiyuan Li, Hailong Li, Anca L. Ralescu, Jonathan R. Dillman, Mekibib Altaye, Kim M. Cecil, Nehal A. Parikh, Lili He

The integration of different imaging modalities, such as structural, diffusion tensor, and functional magnetic resonance imaging, with deep learning models has yielded promising outcomes in discerning phenotypic characteristics and enhancing disease diagnosis. The development of such a technique hinges on the efficient fusion of heterogeneous multimodal features, which initially reside within distinct representation spaces. Naively fusing the multimodal features does not adequately capture the complementary information and could even produce redundancy. In this work, we present a novel joint self-supervised and supervised contrastive learning method to learn the robust latent feature representation from multimodal MRI data, allowing the projection of heterogeneous features into a shared common space, and thereby amalgamating both complementary and analogous information across various modalities and among similar subjects. We performed a comparative analysis between our proposed method and alternative deep multimodal learning approaches. Through extensive experiments on two independent datasets, the results demonstrated that our method is significantly superior to several other deep multimodal learning methods in predicting abnormal neurodevelopment. Our method has the capability to facilitate computer-aided diagnosis within clinical practice, harnessing the power of multimodal data.

Refining GPT-3 Embeddings with a Siamese Structure for Technical Post Duplicate Detection. (arXiv:2312.15068v1 [cs.SE])

Authors: Xingfang Wu, Heng Li, Nobukazu Yoshioka, Hironori Washizaki, Foutse Khomh

One goal of technical online communities is to help developers find the right answer in one place. A single question can be asked in different ways with different wordings, leading to the existence of duplicate posts on technical forums. The question of how to discover and link duplicate posts has garnered the attention of both developer communities and researchers. For example, Stack Overflow adopts a voting-based mechanism to mark and close duplicate posts. However, addressing these constantly emerging duplicate posts in a timely manner continues to pose challenges. Therefore, various approaches have been proposed to detect duplicate posts on technical forum posts automatically. The existing methods suffer from limitations either due to their reliance on handcrafted similarity metrics which can not sufficiently capture the semantics of posts, or their lack of supervision to improve the performance. Additionally, the efficiency of these methods is hindered by their dependence on pair-wise feature generation, which can be impractical for large amount of data. In this work, we attempt to employ and refine the GPT-3 embeddings for the duplicate detection task. We assume that the GPT-3 embeddings can accurately represent the semantics of the posts. In addition, by training a Siamese-based network based on the GPT-3 embeddings, we obtain a latent embedding that accurately captures the duplicate relation in technical forum posts. Our experiment on a benchmark dataset confirms the effectiveness of our approach and demonstrates superior performance compared to baseline methods. When applied to the dataset we constructed with a recent Stack Overflow dump, our approach attains a Top-1, Top-5, and Top-30 accuracy of 23.1%, 43.9%, and 68.9%, respectively. With a manual study, we confirm our approach's potential of finding unlabelled duplicates on technical forums.

Learning Rich Rankings. (arXiv:2312.15081v1 [cs.LG])

Authors: Arjun Seshadri, Stephen Ragain, Johan Ugander

Although the foundations of ranking are well established, the ranking literature has primarily been focused on simple, unimodal models, e.g. the Mallows and Plackett-Luce models, that define distributions centered around a single total ordering. Explicit mixture models have provided some tools for modelling multimodal ranking data, though learning such models from data is often difficult. In this work, we contribute a contextual repeated selection (CRS) model that leverages recent advances in choice modeling to bring a natural multimodality and richness to the rankings space. We provide rigorous theoretical guarantees for maximum likelihood estimation under the model through structure-dependent tail risk and expected risk bounds. As a by-product, we also furnish the first tight bounds on the expected risk of maximum likelihood estimators for the multinomial logit (MNL) choice model and the Plackett-Luce (PL) ranking model, as well as the first tail risk bound on the PL ranking model. The CRS model significantly outperforms existing methods for modeling real world ranking data in a variety of settings, from racing to rank choice voting.

HyperMix: Out-of-Distribution Detection and Classification in Few-Shot Settings. (arXiv:2312.15086v1 [cs.LG])

Authors: Nikhil Mehta, Kevin J Liang, Jing Huang, Fu-Jen Chu, Li Yin, Tal Hassner

Out-of-distribution (OOD) detection is an important topic for real-world machine learning systems, but settings with limited in-distribution samples have been underexplored. Such few-shot OOD settings are challenging, as models have scarce opportunities to learn the data distribution before being tasked with identifying OOD samples. Indeed, we demonstrate that recent state-of-the-art OOD methods fail to outperform simple baselines in the few-shot setting. We thus propose a hypernetwork framework called HyperMix, using Mixup on the generated classifier parameters, as well as a natural out-of-episode outlier exposure technique that does not require an additional outlier dataset. We conduct experiments on CIFAR-FS and MiniImageNet, significantly outperforming other OOD methods in the few-shot regime.

Adaptive Domain Inference Attack. (arXiv:2312.15088v1 [cs.LG])

Authors: Yuechun Gu, Keke Chen

As deep neural networks are increasingly deployed in sensitive application domains, such as healthcare and security, it's necessary to understand what kind of sensitive information can be inferred from these models. Existing model-targeted attacks all assume the attacker has known the application domain or training data distribution, which plays an essential role in successful attacks. Can removing the domain information from model APIs protect models from these attacks? This paper studies this critical problem. Unfortunately, even with minimal knowledge, i.e., accessing the model as an unnamed function without leaking the meaning of input and output, the proposed adaptive domain inference attack (ADI) can still successfully estimate relevant subsets of training data. We show that the extracted relevant data can significantly improve, for instance, the performance of model-inversion attacks. Specifically, the ADI method utilizes a concept hierarchy built on top of a large collection of available public and private datasets and a novel algorithm to adaptively tune the likelihood of leaf concepts showing up in the unseen training data. The ADI attack not only extracts partial training data at the concept level, but also converges fast and requires much fewer target-model accesses than another domain inference attack, GDI.

A Note on Stability in Asynchronous Stochastic Approximation without Communication Delays. (arXiv:2312.15091v1 [cs.LG])

Authors: Huizhen Yu, Yi Wan, Richard S. Sutton

In this paper, we study asynchronous stochastic approximation algorithms without communication delays. Our main contribution is a stability proof for these algorithms that extends a method of Borkar and Meyn by accommodating more general noise conditions. We also derive convergence results from this stability result and discuss their application in important average-reward reinforcement learning problems.

Recourse under Model Multiplicity via Argumentative Ensembling. (arXiv:2312.15097v1 [cs.LG])

Authors: Junqi Jiang, Antonio Rago, Francesco Leofante, Francesca Toni

Model Multiplicity (MM) arises when multiple, equally performing machine learning models can be trained to solve the same prediction task. Recent studies show that models obtained under MM may produce inconsistent predictions for the same input. When this occurs, it becomes challenging to provide counterfactual explanations (CEs), a common means for offering recourse recommendations to individuals negatively affected by models' predictions. In this paper, we formalise this problem, which we name recourse-aware ensembling, and identify several desirable properties which methods for solving it should satisfy. We show that existing ensembling methods, naturally extended in different ways to provide CEs, fail to satisfy these properties. We then introduce argumentative ensembling, deploying computational argumentation to guarantee robustness of CEs to MM, while also accommodating customisable user preferences. We show theoretically and experimentally that argumentative ensembling satisfies properties which the existing methods lack, and that the trade-offs are minimal wrt accuracy.

Moderating New Waves of Online Hate with Chain-of-Thought Reasoning in Large Language Models. (arXiv:2312.15099v1 [cs.CL])

Authors: Nishant Vishwamitra, Keyan Guo, Farhan Tajwar Romit, Isabelle Ondracek, Long Cheng, Ziming Zhao, Hongxin Hu

Online hate is an escalating problem that negatively impacts the lives of Internet users, and is also subject to rapid changes due to evolving events, resulting in new waves of online hate that pose a critical threat. Detecting and mitigating these new waves present two key challenges: it demands reasoning-based complex decision-making to determine the presence of hateful content, and the limited availability of training samples hinders updating the detection model. To address this critical issue, we present a novel framework called HATEGUARD for effectively moderating new waves of online hate. HATEGUARD employs a reasoning-based approach that leverages the recently introduced chain-of-thought (CoT) prompting technique, harnessing the capabilities of large language models (LLMs). HATEGUARD further achieves prompt-based zero-shot detection by automatically generating and updating detection prompts with new derogatory terms and targets in new wave samples to effectively address new waves of online hate. To demonstrate the effectiveness of our approach, we compile a new dataset consisting of tweets related to three recently witnessed new waves: the 2022 Russian invasion of Ukraine, the 2021 insurrection of the US Capitol, and the COVID-19 pandemic. Our studies reveal crucial longitudinal patterns in these new waves concerning the evolution of events and the pressing need for techniques to rapidly update existing moderation tools to counteract them. Comparative evaluations against state-of-the-art tools illustrate the superiority of our framework, showcasing a substantial 22.22% to 83.33% improvement in detecting the three new waves of online hate. Our work highlights the severe threat posed by the emergence of new waves of online hate and represents a paradigm shift in addressing this threat practically.

Fix-Con: Automatic Fault Localization and Repair of Deep Learning Model Conversions. (arXiv:2312.15101v1 [cs.SE])

Authors: Nikolaos Louloudakis, Perry Gibson, José Cano, Ajitha Rajan

Converting deep learning models between frameworks is a common step to maximize model compatibility across devices and leverage optimization features that may be exclusively provided in one deep learning framework. However, this conversion process may be riddled with bugs, making the converted models either undeployable or problematic, considerably degrading their prediction correctness.

We propose an automated approach for fault localization and repair, Fix-Con, during model conversion between deep learning frameworks. Fix-Con is capable of detecting and fixing faults introduced in model input, parameters, hyperparameters, and the model graph during conversion.

Fix-Con uses a set of fault types mined from surveying conversion issues raised to localize potential conversion faults in the converted target model, and then repairs them appropriately, e.g. replacing the parameters of the target model with those from the source model. This is done iteratively for every image in the dataset with output label differences between the source model and the converted target model until all differences are resolved. We evaluate the effectiveness of Fix-Con in fixing model conversion bugs of three widely used image recognition models converted across four different deep learning frameworks. Overall, Fix-Con was able to either completely repair, or significantly improve the performance of 14 out of the 15 erroneous conversion cases.

Energy-based learning algorithms for analog computing: a comparative study. (arXiv:2312.15103v1 [cs.LG])

Authors: Benjamin Scellier, Maxence Ernoult, Jack Kendall, Suhas Kumar

Energy-based learning algorithms have recently gained a surge of interest due to their compatibility with analog (post-digital) hardware. Existing algorithms include contrastive learning (CL), equilibrium propagation (EP) and coupled learning (CpL), all consisting in contrasting two states, and differing in the type of perturbation used to obtain the second state from the first one. However, these algorithms have never been explicitly compared on equal footing with same models and datasets, making it difficult to assess their scalability and decide which one to select in practice. In this work, we carry out a comparison of seven learning algorithms, namely CL and different variants of EP and CpL depending on the signs of the perturbations. Specifically, using these learning algorithms, we train deep convolutional Hopfield networks (DCHNs) on five vision tasks (MNIST, F-MNIST, SVHN, CIFAR-10 and CIFAR-100). We find that, while all algorithms yield comparable performance on MNIST, important differences in performance arise as the difficulty of the task increases. Our key findings reveal that negative perturbations are better than positive ones, and highlight the centered variant of EP (which uses two perturbations of opposite sign) as the best-performing algorithm. We also endorse these findings with theoretical arguments. Additionally, we establish new SOTA results with DCHNs on all five datasets, both in performance and speed. In particular, our DCHN simulations are 13.5 times faster with respect to Laborieux et al. (2021), which we achieve thanks to the use of a novel energy minimisation algorithm based on asynchronous updates, combined with reduced precision (16 bits).

Less or More From Teacher: Exploiting Trilateral Geometry For Knowledge Distillation. (arXiv:2312.15112v1 [cs.LG])

Authors: Chengming Hu, Haolun Wu, Xuan Li, Chen Ma, Xi Chen, Jun Yan, Boyu Wang, Xue Liu

Knowledge distillation aims to train a compact student network using soft supervision from a larger teacher network and hard supervision from ground truths. However, determining an optimal knowledge fusion ratio that balances these supervisory signals remains challenging. Prior methods generally resort to a constant or heuristic-based fusion ratio, which often falls short of a proper balance. In this study, we introduce a novel adaptive method for learning a sample-wise knowledge fusion ratio, exploiting both the correctness of teacher and student, as well as how well the student mimics the teacher on each sample. Our method naturally leads to the intra-sample trilateral geometric relations among the student prediction ($S$), teacher prediction ($T$), and ground truth ($G$). To counterbalance the impact of outliers, we further extend to the inter-sample relations, incorporating the teacher's global average prediction $\bar{T}$ for samples within the same class. A simple neural network then learns the implicit mapping from the intra- and inter-sample relations to an adaptive, sample-wise knowledge fusion ratio in a bilevel-optimization manner. Our approach provides a simple, practical, and adaptable solution for knowledge distillation that can be employed across various architectures and model sizes. Extensive experiments demonstrate consistent improvements over other loss re-weighting methods on image classification, attack detection, and click-through rate prediction.

Understanding driver-pedestrian interactions to predict driver yielding: naturalistic open-source dataset collected in Minnesota. (arXiv:2312.15113v1 [cs.LG])

Authors: Tianyi Li, Joshua Klavins, Te Xu, Niaz Mahmud Zafri, Raphael Stern

Many factors influence the yielding result of a driver-pedestrian interaction, including traffic volume, vehicle speed, roadway characteristics, etc. While individual aspects of these interactions have been explored, comprehensive, naturalistic studies, particularly those considering the built environment's influence on driver-yielding behavior, are lacking. To address this gap, our study introduces an extensive open-source dataset, compiled from video data at 18 unsignalized intersections across Minnesota. Documenting more than 3000 interactions, this dataset provides a detailed view of driver-pedestrian interactions and over 50 distinct contextual variables. The data, which covers individual driver-pedestrian interactions and contextual factors, is made publicly available at https://github.com/tianyi17/pedestrian_yielding_data_MN.

Using logistic regression, we developed a classification model that predicts driver yielding based on the identified variables. Our analysis indicates that vehicle speed, the presence of parking lots, proximity to parks or schools, and the width of major road crossings significantly influence driver yielding at unsignalized intersections. This study contributes to one of the most comprehensive driver-pedestrian datasets in the US, offering valuable insights for traffic safety improvements. By making this information available, our study will support communities across Minnesota and the United States in their ongoing efforts to improve road safety for pedestrians.

Scaling Is All You Need: Training Strong Policies for Autonomous Driving with JAX-Accelerated Reinforcement Learning. (arXiv:2312.15122v1 [cs.LG])

Authors: Moritz Harmel, Anubhav Paras, Andreas Pasternak, Gary Linscott

Reinforcement learning has been used to train policies that outperform even the best human players in various games. However, a large amount of data is needed to achieve good performance, which in turn requires building large-scale frameworks and simulators. In this paper, we study how large-scale reinforcement learning can be applied to autonomous driving, analyze how the resulting policies perform as the experiment size is scaled, and what the most important factors contributing to policy performance are. To do this, we first introduce a hardware-accelerated autonomous driving simulator, which allows us to efficiently collect experience from billions of agent steps. This simulator is paired with a large-scale, multi-GPU reinforcement learning framework. We demonstrate that simultaneous scaling of dataset size, model size, and agent steps trained provides increasingly strong driving policies in regard to collision, traffic rule violations, and progress. In particular, our best policy reduces the failure rate by 57% while improving progress by 23% compared to the current state-of-the-art machine learning policies for autonomous driving.

On fundamental aspects of quantum extreme learning machines. (arXiv:2312.15124v1 [quant-ph])

Authors: Weijie Xiong, Giorgio Facelli, Mehrad Sahebi, Owen Agnel, Thiparat Chotibut, Supanut Thanasilp, Zoë Holmes

Quantum Extreme Learning Machines (QELMs) have emerged as a promising framework for quantum machine learning. Their appeal lies in the rich feature map induced by the dynamics of a quantum substrate - the quantum reservoir - and the efficient post-measurement training via linear regression. Here we study the expressivity of QELMs by decomposing the prediction of QELMs into a Fourier series. We show that the achievable Fourier frequencies are determined by the data encoding scheme, while Fourier coefficients depend on both the reservoir and the measurement. Notably, the expressivity of QELMs is fundamentally limited by the number of Fourier frequencies and the number of observables, while the complexity of the prediction hinges on the reservoir. As a cautionary note on scalability, we identify four sources that can lead to the exponential concentration of the observables as the system size grows (randomness, hardware noise, entanglement, and global measurements) and show how this can turn QELMs into useless input-agnostic oracles. Our analysis elucidates the potential and fundamental limitations of QELMs, and lays the groundwork for systematically exploring quantum reservoir systems for other machine learning tasks.

Gradient Shaping for Multi-Constraint Safe Reinforcement Learning. (arXiv:2312.15127v1 [cs.LG])

Authors: Yihang Yao, Zuxin Liu, Zhepeng Cen, Peide Huang, Tingnan Zhang, Wenhao Yu, Ding Zhao

Online safe reinforcement learning (RL) involves training a policy that maximizes task efficiency while satisfying constraints via interacting with the environments. In this paper, our focus lies in addressing the complex challenges associated with solving multi-constraint (MC) safe RL problems. We approach the safe RL problem from the perspective of Multi-Objective Optimization (MOO) and propose a unified framework designed for MC safe RL algorithms. This framework highlights the manipulation of gradients derived from constraints. Leveraging insights from this framework and recognizing the significance of \textit{redundant} and \textit{conflicting} constraint conditions, we introduce the Gradient Shaping (GradS) method for general Lagrangian-based safe RL algorithms to improve the training efficiency in terms of both reward and constraint satisfaction. Our extensive experimentation demonstrates the effectiveness of our proposed method in encouraging exploration and learning a policy that improves both safety and reward performance across various challenging MC safe RL tasks as well as good scalability to the number of constraints.

An FPGA-Based Accelerator for Graph Embedding using Sequential Training Algorithm. (arXiv:2312.15138v1 [cs.LG])

Authors: Kazuki Sunaga, Keisuke Sugiura, Hiroki Matsutani

A graph embedding is an emerging approach that can represent a graph structure with a fixed-length low-dimensional vector. node2vec is a well-known algorithm to obtain such a graph embedding by sampling neighboring nodes on a given graph with a random walk technique. However, the original node2vec algorithm typically relies on a batch training of graph structures; thus, it is not suited for applications in which the graph structure changes after the deployment. In this paper, we focus on node2vec applications for IoT (Internet of Things) environments. To handle the changes of graph structures after the IoT devices have been deployed in edge environments, in this paper we propose to combine an online sequential training algorithm with node2vec. The proposed sequentially-trainable model is implemented on a resource-limited FPGA (Field-Programmable Gate Array) device to demonstrate the benefits of our approach. The proposed FPGA implementation achieves up to 205.25 times speedup compared to the original model on CPU. Evaluation results using dynamic graphs show that although the original model decreases the accuracy, the proposed sequential model can obtain better graph embedding that can increase the accuracy even when the graph structure is changed.

Improving the Performance of Echo State Networks Through Feedback. (arXiv:2312.15141v1 [cs.LG])

Authors: Peter J. Ehlers, Hendra I. Nurdin, Daniel Soh

Reservoir computing, using nonlinear dynamical systems, offers a cost-effective alternative to neural networks for complex tasks involving processing of sequential data, time series modeling, and system identification. Echo state networks (ESNs), a type of reservoir computer, mirror neural networks but simplify training. They apply fixed, random linear transformations to the internal state, followed by nonlinear changes. This process, guided by input signals and linear regression, adapts the system to match target characteristics, reducing computational demands. A potential drawback of ESNs is that the fixed reservoir may not offer the complexity needed for specific problems. While directly altering (training) the internal ESN would reintroduce the computational burden, an indirect modification can be achieved by redirecting some output as input. This feedback can influence the internal reservoir state, yielding ESNs with enhanced complexity suitable for broader challenges. In this paper, we demonstrate that by feeding some component of the reservoir state back into the network through the input, we can drastically improve upon the performance of a given ESN. We rigorously prove that, for any given ESN, feedback will almost always improve the accuracy of the output. For a set of three tasks, each representing different problem classes, we find that with feedback the average error measures are reduced by $30\%-60\%$. Remarkably, feedback provides at least an equivalent performance boost to doubling the initial number of computational nodes, a computationally expensive and technologically challenging alternative. These results demonstrate the broad applicability and substantial usefulness of this feedback scheme.

Interpretable Representations in Explainable AI: From Theory to Practice. (arXiv:2008.07007v3 [cs.LG] UPDATED)

Authors: Kacper Sokol, Peter Flach

Interpretable representations are the backbone of many explainers that target black-box predictive systems based on artificial intelligence and machine learning algorithms. They translate the low-level data representation necessary for good predictive performance into high-level human-intelligible concepts used to convey the explanatory insights. Notably, the explanation type and its cognitive complexity are directly controlled by the interpretable representation, tweaking which allows to target a particular audience and use case. However, many explainers built upon interpretable representations overlook their merit and fall back on default solutions that often carry implicit assumptions, thereby degrading the explanatory power and reliability of such techniques. To address this problem, we study properties of interpretable representations that encode presence and absence of human-comprehensible concepts. We demonstrate how they are operationalised for tabular, image and text data; discuss their assumptions, strengths and weaknesses; identify their core building blocks; and scrutinise their configuration and parameterisation. In particular, this in-depth analysis allows us to pinpoint their explanatory properties, desiderata and scope for (malicious) manipulation in the context of tabular data where a linear model is used to quantify the influence of interpretable concepts on a black-box prediction. Our findings lead to a range of recommendations for designing trustworthy interpretable representations; specifically, the benefits of class-aware (supervised) discretisation of tabular data, e.g., with decision trees, and sensitivity of image interpretable representations to segmentation granularity and occlusion colour.

Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales. (arXiv:2012.11816v3 [cs.LG] UPDATED)

Authors: Jun Zhang, Yao-Kun Lei, Yaqiang Zhou, Yi Isaac Yang, Yi Qin Gao

Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this trend arises the increasing demand of expressive and versatile neural network architectures which are compatible with molecular systems. A new deep neural network architecture, Molecular Configuration Transformer (Molecular CT), is introduced for this purpose. Molecular CT is composed of a relation-aware encoder module and a computationally universal geometry learning unit, thus able to account for the relational constraints between particles meanwhile scalable to different particle numbers and invariant with respect to the trans-rotational transforms. The computational efficiency and universality make Molecular CT versatile for a variety of molecular learning scenarios and especially appealing for transferable representation learning across different molecular systems. As examples, we show that Molecular CT enables representational learning for molecular systems at different scales, and achieves comparable or improved results on common benchmarks using a more light-weighted structure compared to baseline models.

Be More Active! Understanding the Differences between Mean and Sampled Representations of Variational Autoencoders. (arXiv:2109.12679v4 [cs.LG] UPDATED)

Authors: Lisa Bonheme, Marek Grzes

The ability of Variational Autoencoders to learn disentangled representations has made them appealing for practical applications. However, their mean representations, which are generally used for downstream tasks, have recently been shown to be more correlated than their sampled counterpart, on which disentanglement is usually measured. In this paper, we refine this observation through the lens of selective posterior collapse, which states that only a subset of the learned representations, the active variables, is encoding useful information while the rest (the passive variables) is discarded. We first extend the existing definition to multiple data examples and show that active variables are equally disentangled in mean and sampled representations. Based on this extension and the pre-trained models from disentanglement lib, we then isolate the passive variables and show that they are responsible for the discrepancies between mean and sampled representations. Specifically, passive variables exhibit high correlation scores with other variables in mean representations while being fully uncorrelated in sampled ones. We thus conclude that despite what their higher correlation might suggest, mean representations are still good candidates for downstream tasks applications. However, it may be beneficial to remove their passive variables, especially when used with models sensitive to correlated features.

Solving PDE-constrained Control Problems Using Operator Learning. (arXiv:2111.04941v3 [math.OC] UPDATED)

Authors: Rakhoon Hwang, Jae Yong Lee, Jin Young Shin, Hyung Ju Hwang

The modeling and control of complex physical systems are essential in real-world problems. We propose a novel framework that is generally applicable to solving PDE-constrained optimal control problems by introducing surrogate models for PDE solution operators with special regularizers. The procedure of the proposed framework is divided into two phases: solution operator learning for PDE constraints (Phase 1) and searching for optimal control (Phase 2). Once the surrogate model is trained in Phase 1, the optimal control can be inferred in Phase 2 without intensive computations. Our framework can be applied to both data-driven and data-free cases. We demonstrate the successful application of our method to various optimal control problems for different control variables with diverse PDE constraints from the Poisson equation to Burgers' equation.

Uncoupled Bandit Learning towards Rationalizability: Benchmarks, Barriers, and Algorithms. (arXiv:2111.05486v3 [cs.GT] UPDATED)

Authors: Jibang Wu, Haifeng Xu, Fan Yao

Under the uncoupled learning setup, the last-iterate convergence guarantee towards Nash equilibrium is shown to be impossible in many games. This work studies the last-iterate convergence guarantee in general games toward rationalizability, a key solution concept in epistemic game theory that relaxes the stringent belief assumptions in both Nash and correlated equilibrium. This learning task naturally generalizes best arm identification problems, due to the intrinsic connections between rationalizable action profiles and the elimination of iteratively dominated actions. Despite a seemingly simple task, our first main result is a surprisingly negative one; that is, a large and natural class of no regret algorithms, including the entire family of Dual Averaging algorithms, provably take exponentially many rounds to reach rationalizability. Moreover, algorithms with the stronger no swap regret also suffer similar exponential inefficiency. To overcome these barriers, we develop a new algorithm that adjusts Exp3 with Diminishing Historical rewards (termed Exp3-DH); Exp3-DH gradually forgets history at carefully tailored rates. We prove that when all agents run Exp3-DH (a.k.a., self-play in multi-agent learning), all iteratively dominated actions can be eliminated within polynomially many rounds. Our experimental results further demonstrate the efficiency of Exp3-DH, and that state-of-the-art bandit algorithms, even those developed specifically for learning in games, fail to reach rationalizability efficiently.

Exploring the Limits of Natural Language Inference Based Setup for Few-Shot Intent Detection. (arXiv:2112.07434v2 [cs.CL] UPDATED)

Authors: Ayush Kumar, Vijit Malik, Jithendra Vepa

Intent Detection is one of the core tasks of dialog systems. Few-shot Intent Detection is challenging due to limited number of annotated utterances for novel classes. Generalized Few-shot intent detection is more realistic but challenging setup which aims to discriminate the joint label space of both novel intents which have few examples each and existing intents consisting of enough labeled data. Large label spaces and fewer number of shots increase the complexity of the task. In this work, we employ a simple and effective method based on Natural Language Inference that leverages the semantics in the class-label names to learn and predict the novel classes. Our method achieves state-of-the-art results on 1-shot and 5-shot intent detection task with gains ranging from 2-8\% points in F1 score on four benchmark datasets. Our method also outperforms existing approaches on a more practical setting of generalized few-shot intent detection with gains up to 20% F1 score. We show that the suggested approach performs well across single and multi domain datasets with the number of class labels from as few as 7 to as high as 150.

FairIF: Boosting Fairness in Deep Learning via Influence Functions with Validation Set Sensitive Attributes. (arXiv:2201.05759v2 [cs.LG] UPDATED)

Authors: Haonan Wang, Ziwei Wu, Jingrui He

Most fair machine learning methods either highly rely on the sensitive information of the training samples or require a large modification on the target models, which hinders their practical application. To address this issue, we propose a two-stage training algorithm named FAIRIF. It minimizes the loss over the reweighted data set (second stage) where the sample weights are computed to balance the model performance across different demographic groups (first stage). FAIRIF can be applied on a wide range of models trained by stochastic gradient descent without changing the model, while only requiring group annotations on a small validation set to compute sample weights. Theoretically, we show that, in the classification setting, three notions of disparity among different groups can be mitigated by training with the weights. Experiments on synthetic data sets demonstrate that FAIRIF yields models with better fairness-utility trade-offs against various types of bias; and on real-world data sets, we show the effectiveness and scalability of FAIRIF. Moreover, as evidenced by the experiments with pretrained models, FAIRIF is able to alleviate the unfairness issue of pretrained models without hurting their performance.

Multi-Objective Latent Space Optimization of Generative Molecular Design Models. (arXiv:2203.00526v2 [cs.LG] UPDATED)

Authors: A N M Nafiz Abeer, Nathan Urban, M Ryan Weil, Francis J. Alexander, Byung-Jun Yoon

Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired properties. While the efficacy of the initial model strongly depends on the training data, the sampling efficiency of the model for suggesting novel molecules with enhanced properties can be further enhanced via latent space optimization. In this paper, we propose a multi-objective latent space optimization (LSO) method that can significantly enhance the performance of generative molecular design (GMD). The proposed method adopts an iterative weighted retraining approach, where the respective weights of the molecules in the training data are determined by their Pareto efficiency. We demonstrate that our multi-objective GMD LSO method can significantly improve the performance of GMD for jointly optimizing multiple molecular properties.

Addressing Gap between Training Data and Deployed Environment by On-Device Learning. (arXiv:2203.01077v4 [cs.LG] UPDATED)

Authors: Kazuki Sunaga, Masaaki Kondo, Hiroki Matsutani

The accuracy of tinyML applications is often affected by various environmental factors, such as noises, location/calibration of sensors, and time-related changes. This article introduces a neural network based on-device learning (ODL) approach to address this issue by retraining in deployed environments. Our approach relies on semi-supervised sequential training of multiple neural networks tailored for low-end edge devices. This article introduces its algorithm and implementation on wireless sensor nodes consisting of a Raspberry Pi Pico and low-power wireless module. Experiments using vibration patterns of rotating machines demonstrate that retraining by ODL improves anomaly detection accuracy compared with a prediction-only deep neural network in a noisy environment. The results also show that the ODL approach can save communication cost and energy consumption for battery-powered Internet of Things devices.

Understanding Deep Learning via Decision Boundary. (arXiv:2206.01515v2 [cs.LG] UPDATED)

Authors: Shiye Lei, Fengxiang He, Yancheng Yuan, Dacheng Tao

This paper discovers that the neural network with lower decision boundary (DB) variability has better generalizability. Two new notions, algorithm DB variability and $(\epsilon, \eta)$-data DB variability, are proposed to measure the decision boundary variability from the algorithm and data perspectives. Extensive experiments show significant negative correlations between the decision boundary variability and the generalizability. From the theoretical view, two lower bounds based on algorithm DB variability are proposed and do not explicitly depend on the sample size. We also prove an upper bound of order $\mathcal{O}\left(\frac{1}{\sqrt{m}}+\epsilon+\eta\log\frac{1}{\eta}\right)$ based on data DB variability. The bound is convenient to estimate without the requirement of labels, and does not explicitly depend on the network size which is usually prohibitively large in deep learning.

Robust Fine-Tuning of Deep Neural Networks with Hessian-based Generalization Guarantees. (arXiv:2206.02659v6 [cs.LG] UPDATED)

Authors: Haotian Ju, Dongyue Li, Hongyang R. Zhang

We consider fine-tuning a pretrained deep neural network on a target task. We study the generalization properties of fine-tuning to understand the problem of overfitting, which has often been observed (e.g., when the target dataset is small or when the training labels are noisy). Existing generalization measures for deep networks depend on notions such as distance from the initialization (i.e., the pretrained network) of the fine-tuned model and noise stability properties of deep networks. This paper identifies a Hessian-based distance measure through PAC-Bayesian analysis, which is shown to correlate well with observed generalization gaps of fine-tuned models. Theoretically, we prove Hessian distance-based generalization bounds for fine-tuned models. We also describe an extended study of fine-tuning against label noise, where overfitting remains a critical problem. We present an algorithm and a generalization error guarantee for this algorithm under a class conditional independent noise model. Empirically, we observe that the Hessian-based distance measure can match the scale of the observed generalization gap of fine-tuned models in practice. We also test our algorithm on several image classification tasks with noisy training labels, showing gains over prior methods and decreases in the Hessian distance measure of the fine-tuned model.

Learning robust marking policies for adaptive mesh refinement. (arXiv:2207.06339v2 [math.NA] UPDATED)

Authors: Andrew Gillette, Brendan Keith, Socratis Petrides

In this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a na\"{i}ve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AFEM in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on $h$- and $hp$-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple $hp$-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

Can large language models reason about medical questions?. (arXiv:2207.08143v4 [cs.CL] UPDATED)

Authors: Valentin Liévin, Christoffer Egeberg Hother, Andreas Geert Motzfeldt, Ole Winther

Although large language models (LLMs) often produce impressive outputs, it remains unclear how they perform in real-world scenarios requiring strong reasoning skills and expert domain knowledge. We set out to investigate whether close- and open-source models (GPT-3.5, LLama-2, etc.) can be applied to answer and reason about difficult real-world-based questions. We focus on three popular medical benchmarks (MedQA-USMLE, MedMCQA, and PubMedQA) and multiple prompting scenarios: Chain-of-Thought (CoT, think step-by-step), few-shot and retrieval augmentation. Based on an expert annotation of the generated CoTs, we found that InstructGPT can often read, reason and recall expert knowledge. Last, by leveraging advances in prompt engineering (few-shot and ensemble methods), we demonstrated that GPT-3.5 not only yields calibrated predictive distributions, but also reaches the passing score on three datasets: MedQA-USMLE 60.2%, MedMCQA 62.7% and PubMedQA 78.2%. Open-source models are closing the gap: Llama-2 70B also passed the MedQA-USMLE with 62.5% accuracy.

Pre-training General Trajectory Embeddings with Maximum Multi-view Entropy Coding. (arXiv:2207.14539v2 [cs.CV] UPDATED)

Authors: Yan Lin, Huaiyu Wan, Shengnan Guo, Jilin Hu, Christian S. Jensen, Youfang Lin

Spatio-temporal trajectories provide valuable information about movement and travel behavior, enabling various downstream tasks that in turn power real-world applications. Learning trajectory embeddings can improve task performance but may incur high computational costs and face limited training data availability. Pre-training learns generic embeddings by means of specially constructed pretext tasks that enable learning from unlabeled data. Existing pre-training methods face (i) difficulties in learning general embeddings due to biases towards certain downstream tasks incurred by the pretext tasks, (ii) limitations in capturing both travel semantics and spatio-temporal correlations, and (iii) the complexity of long, irregularly sampled trajectories.

To tackle these challenges, we propose Maximum Multi-view Trajectory Entropy Coding (MMTEC) for learning general and comprehensive trajectory embeddings. We introduce a pretext task that reduces biases in pre-trained trajectory embeddings, yielding embeddings that are useful for a wide variety of downstream tasks. We also propose an attention-based discrete encoder and a NeuralCDE-based continuous encoder that extract and represent travel behavior and continuous spatio-temporal correlations from trajectories in embeddings, respectively. Extensive experiments on two real-world datasets and three downstream tasks offer insight into the design properties of our proposal and indicate that it is capable of outperforming existing trajectory embedding methods.

Ensemble forecasts in reproducing kernel Hilbert space family. (arXiv:2207.14653v3 [math-ph] UPDATED)

Authors: Benjamin Dufée, Bérenger Hug, Etienne Mémin, Gilles Tissot

A methodological framework for ensemble-based estimation and simulation of high dimensional dynamical systems such as the oceanic or atmospheric flows is proposed. To that end, the dynamical system is embedded in a family of reproducing kernel Hilbert spaces (RKHS) with kernel functions driven by the dynamics. In the RKHS family, the Koopman and Perron-Frobenius operators are unitary and uniformly continuous. This property warrants they can be expressed in exponential series of diagonalizable bounded evolution operators defined from their infinitesimal generators. Access to Lyapunov exponents and to exact ensemble based expressions of the tangent linear dynamics are directly available as well. The RKHS family enables us the devise of strikingly simple ensemble data assimilation methods for trajectory reconstructions in terms of constant-in-time linear combinations of trajectory samples. Such an embarrassingly simple strategy is made possible through a fully justified superposition principle ensuing from several fundamental theorems.

MENLI: Robust Evaluation Metrics from Natural Language Inference. (arXiv:2208.07316v5 [cs.CL] UPDATED)

Authors: Yanran Chen, Steffen Eger

Recently proposed BERT-based evaluation metrics for text generation perform well on standard benchmarks but are vulnerable to adversarial attacks, e.g., relating to information correctness. We argue that this stems (in part) from the fact that they are models of semantic similarity. In contrast, we develop evaluation metrics based on Natural Language Inference (NLI), which we deem a more appropriate modeling. We design a preference-based adversarial attack framework and show that our NLI based metrics are much more robust to the attacks than the recent BERT-based metrics. On standard benchmarks, our NLI based metrics outperform existing summarization metrics, but perform below SOTA MT metrics. However, when combining existing metrics with our NLI metrics, we obtain both higher adversarial robustness (15%-30%) and higher quality metrics as measured on standard benchmarks (+5% to 30%).

SimCLF: A Simple Contrastive Learning Framework for Function-level Binary Embeddings. (arXiv:2209.02442v2 [cs.CR] UPDATED)

Authors: Sun RuiJin, Guo Shize, Guo Jinhong, Li Wei, Zhan Dazhi, Sun Meng, Pan Zhisong

Function-level binary code similarity detection is a crucial aspect of cybersecurity. It enables the detection of bugs and patent infringements in released software and plays a pivotal role in preventing supply chain attacks. A practical embedding learning framework relies on the robustness of the assembly code representation and the accuracy of function-pair annotation, which is traditionally accomplished using supervised learning-based frameworks. However, annotating different function pairs with accurate labels poses considerable challenges. These supervised learning methods can be easily overtrained and suffer from representation robustness problems. To address these challenges, we propose SimCLF: A Simple Contrastive Learning Framework for Function-level Binary Embeddings. We take an unsupervised learning approach and formulate binary code similarity detection as instance discrimination. SimCLF directly operates on disassembled binary functions and could be implemented with any encoder. It does not require manually annotated information but only augmented data. Augmented data is generated using compiler optimization options and code obfuscation techniques. The experimental results demonstrate that SimCLF surpasses the state-of-the-art in accuracy and has a significant advantage in few-shot settings.

Analyzing Transformers in Embedding Space. (arXiv:2209.02535v3 [cs.CL] UPDATED)

Authors: Guy Dar, Mor Geva, Ankit Gupta, Jonathan Berant

Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent work has shown that a zero-pass approach, where parameters are interpreted directly without a forward/backward pass is feasible for some Transformer parameters, and for two-layer attention networks. In this work, we present a theoretical analysis where all parameters of a trained Transformer are interpreted by projecting them into the embedding space, that is, the space of vocabulary items they operate on. We derive a simple theoretical framework to support our arguments and provide ample evidence for its validity. First, an empirical analysis showing that parameters of both pretrained and fine-tuned models can be interpreted in embedding space. Second, we present two applications of our framework: (a) aligning the parameters of different models that share a vocabulary, and (b) constructing a classifier without training by ``translating'' the parameters of a fine-tuned classifier to parameters of a different model that was only pretrained. Overall, our findings open the door to interpretation methods that, at least in part, abstract away from model specifics and operate in the embedding space only.

On the Statistical Complexity of Estimation and Testing under Privacy Constraints. (arXiv:2210.02215v2 [cs.LG] UPDATED)

Authors: Clément Lalanne (DANTE, OCKHAM), Aurélien Garivier (UMPA-ENSL), Rémi Gribonval (DANTE, OCKHAM)

The challenge of producing accurate statistics while respecting the privacy of the individuals in a sample is an important area of research. We study minimax lower bounds for classes of differentially private estimators. In particular, we show how to characterize the power of a statistical test under differential privacy in a plug-and-play fashion by solving an appropriate transport problem. With specific coupling constructions, this observation allows us to derive Le Cam-type and Fano-type inequalities not only for regular definitions of differential privacy but also for those based on Renyi divergence. We then proceed to illustrate our results on three simple, fully worked out examples. In particular, we show that the problem class has a huge importance on the provable degradation of utility due to privacy. In certain scenarios, we show that maintaining privacy results in a noticeable reduction in performance only when the level of privacy protection is very high. Conversely, for other problems, even a modest level of privacy protection can lead to a significant decrease in performance. Finally, we demonstrate that the DP-SGLD algorithm, a private convex solver, can be employed for maximum likelihood estimation with a high degree of confidence, as it provides near-optimal results with respect to both the size of the sample and the level of privacy protection. This algorithm is applicable to a broad range of parametric estimation procedures, including exponential families.

Stability of Accuracy for the Training of DNNs Via the Uniform Doubling Condition. (arXiv:2210.08415v3 [cs.LG] UPDATED)

Authors: Yitzchak Shmalo

We study the stability of accuracy during the training of deep neural networks (DNNs). In this context, the training of a DNN is performed via the minimization of a cross-entropy loss function, and the performance metric is accuracy (the proportion of objects that are classified correctly). While training results in a decrease of loss, the accuracy does not necessarily increase during the process and may sometimes even decrease. The goal of achieving stability of accuracy is to ensure that if accuracy is high at some initial time, it remains high throughout training.

A recent result by Berlyand, Jabin, and Safsten introduces a doubling condition on the training data, which ensures the stability of accuracy during training for DNNs using the absolute value activation function. For training data in $\mathbb{R}^n$, this doubling condition is formulated using slabs in $\mathbb{R}^n$ and depends on the choice of the slabs. The goal of this paper is twofold. First, to make the doubling condition uniform, that is, independent of the choice of slabs. This leads to sufficient conditions for stability in terms of training data only. In other words, for a training set $T$ that satisfies the uniform doubling condition, there exists a family of DNNs such that a DNN from this family with high accuracy on the training set at some training time $t_0$ will have high accuracy for all time $t>t_0$. Moreover, establishing uniformity is necessary for the numerical implementation of the doubling condition.

The second goal is to extend the original stability results from the absolute value activation function to a broader class of piecewise linear activation functions with finitely many critical points, such as the popular Leaky ReLU.

A Faithful Deep Sensitivity Estimation for Accelerated Magnetic Resonance Imaging. (arXiv:2210.12723v3 [eess.IV] UPDATED)

Authors: Zi Wang, Haoming Fang, Chen Qian, Boxuan Shi, Lijun Bao, Liuhong Zhu, Jianjun Zhou, Wenping Wei, Jianzhong Lin, Di Guo, Xiaobo Qu

Magnetic resonance imaging (MRI) is an essential diagnostic tool that suffers from prolonged scan time. To alleviate this limitation, advanced fast MRI technology attracts extensive research interests. Recent deep learning has shown its great potential in improving image quality and reconstruction speed. Faithful coil sensitivity estimation is vital for MRI reconstruction. However, most deep learning methods still rely on pre-estimated sensitivity maps and ignore their inaccuracy, resulting in the significant quality degradation of reconstructed images. In this work, we propose a Joint Deep Sensitivity estimation and Image reconstruction network, called JDSI. During the image artifacts removal, it gradually provides more faithful sensitivity maps with high-frequency information, leading to improved image reconstructions. To understand the behavior of the network, the mutual promotion of sensitivity estimation and image reconstruction is revealed through the visualization of network intermediate results. Results on in vivo datasets and radiologist reader study demonstrate that, for both calibration-based and calibrationless reconstruction, the proposed JDSI achieves the state-of-the-art performance visually and quantitatively, especially when the acceleration factor is high. Additionally, JDSI owns nice robustness to patients and autocalibration signals.

Clustered Federated Learning based on Nonconvex Pairwise Fusion. (arXiv:2211.04218v3 [cs.LG] UPDATED)

Authors: Xue Yu, Ziyi Liu, Wu Wang, Yifan Sun

This study investigates clustered federated learning (FL), one of the formulations of FL with non-i.i.d. data, where the devices are partitioned into clusters and each cluster optimally fits its data with a localized model. We propose a clustered FL framework that incorporates a nonconvex penalty to pairwise differences of parameters. Without a priori knowledge of the set of devices in each cluster and the number of clusters, this framework can autonomously estimate cluster structures. To implement the proposed framework, we introduce a novel clustered FL method called Fusion Penalized Federated Clustering (FPFC). Building upon the standard alternating direction method of multipliers (ADMM), FPFC can perform partial updates at each communication round and allows parallel computation with variable workload. These strategies significantly reduce the communication cost while ensuring privacy, making it practical for FL. We also propose a new warmup strategy for hyperparameter tuning in FL settings and explore the asynchronous variant of FPFC (asyncFPFC). Theoretical analysis provides convergence guarantees for FPFC with general losses and establishes the statistical convergence rate under a linear model with squared loss. Extensive experiments have demonstrated the superiority of FPFC compared to current methods, including robustness and generalization capability.

Scalable PAC-Bayesian Meta-Learning via the PAC-Optimal Hyper-Posterior: From Theory to Practice. (arXiv:2211.07206v3 [stat.ML] UPDATED)

Authors: Jonas Rothfuss, Martin Josifoski, Vincent Fortuin, Andreas Krause

Meta-Learning aims to speed up the learning process on new tasks by acquiring useful inductive biases from datasets of related learning tasks. While, in practice, the number of related tasks available is often small, most of the existing approaches assume an abundance of tasks; making them unrealistic and prone to overfitting. A central question in the meta-learning literature is how to regularize to ensure generalization to unseen tasks. In this work, we provide a theoretical analysis using the PAC-Bayesian theory and present a generalization bound for meta-learning, which was first derived by Rothfuss et al. (2021a). Crucially, the bound allows us to derive the closed form of the optimal hyper-posterior, referred to as PACOH, which leads to the best performance guarantees. We provide a theoretical analysis and empirical case study under which conditions and to what extent these guarantees for meta-learning improve upon PAC-Bayesian per-task learning bounds. The closed-form PACOH inspires a practical meta-learning approach that avoids the reliance on bi-level optimization, giving rise to a stochastic optimization problem that is amenable to standard variational methods that scale well. Our experiments show that, when instantiating the PACOH with Gaussian processes and Bayesian Neural Networks models, the resulting methods are more scalable, and yield state-of-the-art performance, both in terms of predictive accuracy and the quality of uncertainty estimates.

Classification by sparse additive models. (arXiv:2212.01792v3 [math.ST] UPDATED)

Authors: Felix Abramovich

We consider (nonparametric) sparse additive models (SpAM) for classification. The design of a SpAM classifier is based on minimizing the logistic loss with a sparse group Lasso/Slope-type penalties on the coefficients of univariate additive components' expansions in orthonormal series (e.g., Fourier or wavelets). The resulting classifier is inherently adaptive to the unknown sparsity and smoothness. We show that under certain sparse group restricted eigenvalue condition it is nearly-minimax (up to log-factors) simultaneously across the entire range of analytic, Sobolev and Besov classes. The performance of the proposed classifier is illustrated on a simulated and a real-data examples.

Tackling Data Heterogeneity in Federated Learning with Class Prototypes. (arXiv:2212.02758v2 [cs.LG] UPDATED)

Authors: Yutong Dai, Zeyuan Chen, Junnan Li, Shelby Heinecke, Lichao Sun, Ran Xu

Data heterogeneity across clients in federated learning (FL) settings is a widely acknowledged challenge. In response, personalized federated learning (PFL) emerged as a framework to curate local models for clients' tasks. In PFL, a common strategy is to develop local and global models jointly - the global model (for generalization) informs the local models, and the local models (for personalization) are aggregated to update the global model. A key observation is that if we can improve the generalization ability of local models, then we can improve the generalization of global models, which in turn builds better personalized models. In this work, we consider class imbalance, an overlooked type of data heterogeneity, in the classification setting. We propose FedNH, a novel method that improves the local models' performance for both personalization and generalization by combining the uniformity and semantics of class prototypes. FedNH initially distributes class prototypes uniformly in the latent space and smoothly infuses the class semantics into class prototypes. We show that imposing uniformity helps to combat prototype collapse while infusing class semantics improves local models. Extensive experiments were conducted on popular classification datasets under the cross-device setting. Our results demonstrate the effectiveness and stability of our method over recent works.

Online Real-time Learning of Dynamical Systems from Noisy Streaming Data: A Koopman Operator Approach. (arXiv:2212.05259v2 [math.DS] UPDATED)

Authors: S. Sinha, Sai P. Nandanoori, David Barajas-Solano

Recent advancements in sensing and communication facilitate obtaining high-frequency real-time data from various physical systems like power networks, climate systems, biological networks, etc. However, since the data are recorded by physical sensors, it is natural that the obtained data is corrupted by measurement noise. In this paper, we present a novel algorithm for online real-time learning of dynamical systems from noisy time-series data, which employs the Robust Koopman operator framework to mitigate the effect of measurement noise. The proposed algorithm has three main advantages: a) it allows for online real-time monitoring of a dynamical system; b) it obtains a linear representation of the underlying dynamical system, thus enabling the user to use linear systems theory for analysis and control of the system; c) it is computationally fast and less intensive than the popular Extended Dynamic Mode Decomposition (EDMD) algorithm. We illustrate the efficiency of the proposed algorithm by applying it to identify the Van der Pol oscillator, the IEEE 68 bus system, and a ring network of Van der Pol oscillators.

Physics-informed Neural Networks with Periodic Activation Functions for Solute Transport in Heterogeneous Porous Media. (arXiv:2212.08965v2 [cs.LG] UPDATED)

Authors: Salah A Faroughi, Ramin Soltanmohammad, Pingki Datta, Seyed Kourosh Mahjour, Shirko Faroughi

Simulating solute transport in heterogeneous porous media poses computational challenges due to the high-resolution meshing required for traditional solvers. To overcome these challenges, this study explores a mesh-free method based on deep learning to accelerate solute transport simulation. We employ Physics-informed Neural Networks (PiNN) with a periodic activation function to solve solute transport problems in both homogeneous and heterogeneous porous media governed by the advection-dispersion equation. Unlike traditional neural networks that rely on large training datasets, PiNNs use strong-form mathematical models to constrain the network in the training phase and simultaneously solve for multiple dependent or independent field variables, such as pressure and solute concentration fields. To demonstrate the effectiveness of using PiNNs with a periodic activation function to resolve solute transport in porous media, we construct PiNNs using two activation functions, sin and tanh, for seven case studies, including 1D and 2D scenarios. The accuracy of the PiNNs' predictions is then evaluated using absolute point error and mean square error metrics and compared to the ground truth solutions obtained analytically or numerically. Our results demonstrate that the PiNN with sin activation function, compared to tanh activation function, is up to two orders of magnitude more accurate and up to two times faster to train, especially in heterogeneous porous media. Moreover, PiNN's simultaneous predictions of pressure and concentration fields can reduce computational expenses in terms of inference time by three orders of magnitude compared to FEM simulations for two-dimensional cases.

t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation. (arXiv:2301.01829v2 [cs.LG] UPDATED)

Authors: Juan-Ni Wu, Tong Wang, Yue Chen, Li-Juan Tang, Hai-Long Wu, Ru-Qin Yu

Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES (tree-based SMILES) with three code algorithms: TSSA (t-SMILES with Shared Atom), TSDY (t-SMILES with Dummy Atom) and TSID (t-SMILES with ID). It describes molecules using SMILES-type strings obtained by performing a breadth-first search on a full binary tree formed from a fragmented molecular graph. Systematic evaluations using JTVAE, BRICS, MMPA, and Scaffold show the feasibility to construct a multilingual molecular description system, where various descriptions complement each other, enhancing the overall performance. Additionally, it exhibits impressive performance on low-resource datasets, whether the model is original, data augmented, or pre-training fine-tuned. It significantly outperforms classical SMILES, DeepSMILES, SELFIES and baseline models in goal-directed tasks. Furthermore, it surpasses start-of-the-art fragment, graph and SMILES based approaches on ChEMBL, Zinc, and QM9.

A Comprehensive Survey of Dataset Distillation. (arXiv:2301.05603v4 [cs.LG] UPDATED)

Authors: Shiye Lei, Dacheng Tao

Deep learning technology has developed unprecedentedly in the last decade and has become the primary choice in many application domains. This progress is mainly attributed to a systematic collaboration in which rapidly growing computing resources encourage advanced algorithms to deal with massive data. However, it has gradually become challenging to handle the unlimited growth of data with limited computing power. To this end, diverse approaches are proposed to improve data processing efficiency. Dataset distillation, a dataset reduction method, addresses this problem by synthesizing a small typical dataset from substantial data and has attracted much attention from the deep learning community. Existing dataset distillation methods can be taxonomized into meta-learning and data matching frameworks according to whether they explicitly mimic the performance of target data. Although dataset distillation has shown surprising performance in compressing datasets, there are still several limitations such as distilling high-resolution data or data with complex label spaces. This paper provides a holistic understanding of dataset distillation from multiple aspects, including distillation frameworks and algorithms, factorized dataset distillation, performance comparison, and applications. Finally, we discuss challenges and promising directions to further promote future studies on dataset distillation.

Distributed Control of Partial Differential Equations Using Convolutional Reinforcement Learning. (arXiv:2301.10737v2 [cs.LG] UPDATED)

Authors: Sebastian Peitz, Jan Stenner, Vikas Chidananda, Oliver Wallscheid, Steven L. Brunton, Kunihiko Taira

We present a convolutional framework which significantly reduces the complexity and thus, the computational effort for distributed reinforcement learning control of dynamical systems governed by partial differential equations (PDEs). Exploiting translational invariances, the high-dimensional distributed control problem can be transformed into a multi-agent control problem with many identical, uncoupled agents. Furthermore, using the fact that information is transported with finite velocity in many cases, the dimension of the agents' environment can be drastically reduced using a convolution operation over the state space of the PDE. In this setting, the complexity can be flexibly adjusted via the kernel width or by using a stride greater than one. Moreover, scaling from smaller to larger systems -- or the transfer between different domains -- becomes a straightforward task requiring little effort. We demonstrate the performance of the proposed framework using several PDE examples with increasing complexity, where stabilization is achieved by training a low-dimensional deep deterministic policy gradient agent using minimal computing resources.

Trust Region-Based Safe Distributional Reinforcement Learning for Multiple Constraints. (arXiv:2301.10923v2 [cs.LG] UPDATED)

Authors: Dohyeong Kim, Kyungjae Lee, Songhwai Oh

In safety-critical robotic tasks, potential failures must be reduced, and multiple constraints must be met, such as avoiding collisions, limiting energy consumption, and maintaining balance. Thus, applying safe reinforcement learning (RL) in such robotic tasks requires to handle multiple constraints and use risk-averse constraints rather than risk-neutral constraints. To this end, we propose a trust region-based safe RL algorithm for multiple constraints called a safe distributional actor-critic (SDAC). Our main contributions are as follows: 1) introducing a gradient integration method to manage infeasibility issues in multi-constrained problems, ensuring theoretical convergence, and 2) developing a TD($\lambda$) target distribution to estimate risk-averse constraints with low biases. We evaluate SDAC through extensive experiments involving multi- and single-constrained robotic tasks. While maintaining high scores, SDAC shows 1.93 times fewer steps to satisfy all constraints in multi-constrained tasks and 1.78 times fewer constraint violations in single-constrained tasks compared to safe RL baselines. Code is available at: https://github.com/rllab-snu/Safe-Distributional-Actor-Critic.

Information loss from dimensionality reduction in 5D-Gaussian spectral data. (arXiv:2301.11923v2 [physics.data-an] UPDATED)

Authors: A. Schelle, H. Lüling

Understanding the loss of information in spectral analytics is a crucial first step towards finding root causes for failures and uncertainties using spectral data in artificial intelligence models built from modern complex data science applications. Here, we show from an elementary Shannon entropy model analysis with quantum statistics of Gaussian distributed spectral data, that the relative loss of information from dimensionality reduction due to the projection of an initial five-dimensional dataset onto two-dimensional diagrams is less than one percent in the parameter range of small data sets with sample sizes on the order of few hundred data samples. From our analysis, we also conclude that the density and expectation value of the entropy probability distribution increases with the sample number and sample size using artificial data models derived from random sampling Monte Carlo simulation methods.

A Reduction-based Framework for Sequential Decision Making with Delayed Feedback. (arXiv:2302.01477v4 [cs.LG] UPDATED)

Authors: Yunchang Yang, Han Zhong, Tianhao Wu, Bin Liu, Liwei Wang, Simon S. Du

We study stochastic delayed feedback in general multi-agent sequential decision making, which includes bandits, single-agent Markov decision processes (MDPs), and Markov games (MGs). We propose a novel reduction-based framework, which turns any multi-batched algorithm for sequential decision making with instantaneous feedback into a sample-efficient algorithm that can handle stochastic delays in sequential decision making. By plugging different multi-batched algorithms into our framework, we provide several examples demonstrating that our framework not only matches or improves existing results for bandits, tabular MDPs, and tabular MGs, but also provides the first line of studies on delays in sequential decision making with function approximation. In summary, we provide a complete set of sharp results for multi-agent sequential decision making with delayed feedback.

Convergence Analysis of Sequential Split Learning on Heterogeneous Data. (arXiv:2302.01633v3 [cs.LG] UPDATED)

Authors: Yipeng Li, Xinchen Lyu

Federated Learning (FL) and Split Learning (SL) are two popular paradigms of distributed machine learning. By offloading the computation-intensive portions to the server, SL is promising for deep model training on resource-constrained devices, yet still lacking of rigorous convergence analysis. In this paper, we derive the convergence guarantees of Sequential SL (SSL, the vanilla case of SL that conducts the model training in sequence) for strongly/general/non-convex objectives on heterogeneous data. Notably, the derived guarantees suggest that SSL is better than Federated Averaging (FedAvg, the most popular algorithm in FL) on heterogeneous data. We validate the counterintuitive analysis result empirically on extremely heterogeneous data.

DynGFN: Towards Bayesian Inference of Gene Regulatory Networks with GFlowNets. (arXiv:2302.04178v4 [cs.LG] UPDATED)

Authors: Lazar Atanackovic, Alexander Tong, Bo Wang, Leo J. Lee, Yoshua Bengio, Jason Hartford

One of the grand challenges of cell biology is inferring the gene regulatory network (GRN) which describes interactions between genes and their products that control gene expression and cellular function. We can treat this as a causal discovery problem but with two non-standard challenges: (1) regulatory networks are inherently cyclic so we should not model a GRN as a directed acyclic graph (DAG), and (2) observations have significant measurement noise, so for typical sample sizes there will always be a large equivalence class of graphs that are likely given the data, and we want methods that capture this uncertainty. Existing methods either focus on challenge (1), identifying cyclic structure from dynamics, or on challenge (2) learning complex Bayesian posteriors over DAGs, but not both. In this paper we leverage the fact that it is possible to estimate the "velocity" of gene expression with RNA velocity techniques to develop an approach that addresses both challenges. Because we have access to velocity information, we can treat the Bayesian structure learning problem as a problem of sparse identification of a dynamical system, capturing cyclic feedback loops through time. Since our objective is to model uncertainty over discrete structures, we leverage Generative Flow Networks (GFlowNets) to estimate the posterior distribution over the combinatorial space of possible sparse dependencies. Our results indicate that our method learns posteriors that better encapsulate the distributions of cyclic structures compared to counterpart state-of-the-art Bayesian structure learning approaches.

An Information-Theoretic Analysis of Nonstationary Bandit Learning. (arXiv:2302.04452v2 [cs.LG] UPDATED)

Authors: Seungki Min, Daniel Russo

In nonstationary bandit learning problems, the decision-maker must continually gather information and adapt their action selection as the latent state of the environment evolves. In each time period, some latent optimal action maximizes expected reward under the environment state. We view the optimal action sequence as a stochastic process, and take an information-theoretic approach to analyze attainable performance. We bound limiting per-period regret in terms of the entropy rate of the optimal action process. The bound applies to a wide array of problems studied in the literature and reflects the problem's information structure through its information-ratio.

Private Statistical Estimation of Many Quantiles. (arXiv:2302.06943v3 [stat.ML] UPDATED)

Authors: Clément Lalanne (ENS de Lyon, DANTE, OCKHAM), Aurélien Garivier (UMPA-ENSL, MC2), Rémi Gribonval (DANTE, OCKHAM)

This work studies the estimation of many statistical quantiles under differential privacy. More precisely, given a distribution and access to i.i.d. samples from it, we study the estimation of the inverse of its cumulative distribution function (the quantile function) at specific points. For instance, this task is of key importance in private data generation. We present two different approaches. The first one consists in privately estimating the empirical quantiles of the samples and using this result as an estimator of the quantiles of the distribution. In particular, we study the statistical properties of the recently published algorithm introduced by Kaplan et al. 2022 that privately estimates the quantiles recursively. The second approach is to use techniques of density estimation in order to uniformly estimate the quantile function on an interval. In particular, we show that there is a tradeoff between the two methods. When we want to estimate many quantiles, it is better to estimate the density rather than estimating the quantile function at specific points.

Quantum Learning Theory Beyond Batch Binary Classification. (arXiv:2302.07409v4 [cs.LG] UPDATED)

Authors: Preetham Mohan, Ambuj Tewari

Arunachalam and de Wolf (2018) showed that the sample complexity of quantum batch learning of boolean functions, in the realizable and agnostic settings, has the same form and order as the corresponding classical sample complexities. In this paper, we extend this, ostensibly surprising, message to batch multiclass learning, online boolean learning, and online multiclass learning. For our online learning results, we first consider an adaptive adversary variant of the classical model of Dawid and Tewari (2022). Then, we introduce the first (to the best of our knowledge) model of online learning with quantum examples.

Slapo: A Schedule Language for Progressive Optimization of Large Deep Learning Model Training. (arXiv:2302.08005v2 [cs.LG] UPDATED)

Authors: Hongzheng Chen, Cody Hao Yu, Shuai Zheng, Zhen Zhang, Zhiru Zhang, Yida Wang

Recent years have seen an increase in the development of large deep learning (DL) models, which makes training efficiency crucial. Common practice is struggling with the trade-off between usability and performance. On one hand, DL frameworks such as PyTorch use dynamic graphs to facilitate model developers at a price of sub-optimal model training performance. On the other hand, practitioners propose various approaches to improving the training efficiency by sacrificing some of the flexibility, ranging from making the graph static for more thorough optimization (e.g., XLA) to customizing optimization towards large-scale distributed training (e.g., DeepSpeed and Megatron-LM). In this paper, we aim to address the tension between usability and training efficiency through separation of concerns. Inspired by DL compilers that decouple the platform-specific optimizations of a tensor-level operator from its arithmetic definition, this paper proposes a schedule language, Slapo, to decouple model execution from definition. Specifically, Slapo works on a PyTorch model and uses a set of schedule primitives to convert the model for common model training optimizations such as high-performance kernels, effective 3D parallelism, and efficient activation checkpointing. Compared to existing optimization solutions, Slapo progressively optimizes the model "as-needed" through high-level primitives, and thus preserving programmability and debuggability for users to a large extent. Our evaluation results show that by scheduling the existing hand-crafted optimizations in a systematic way using Slapo, we are able to improve training throughput by up to 2.92x on a single machine with 8 NVIDIA V100 GPUs, and by up to 1.41x on multiple machines with up to 64 GPUs, when compared to the out-of-the-box performance of DeepSpeed and Megatron-LM.

FuNVol: A Multi-Asset Implied Volatility Market Simulator using Functional Principal Components and Neural SDEs. (arXiv:2303.00859v4 [q-fin.CP] UPDATED)

Authors: Vedant Choudhary, Sebastian Jaimungal, Maxime Bergeron

We introduce a new approach for generating sequences of implied volatility (IV) surfaces across multiple assets that is faithful to historical prices. We do so using a combination of functional data analysis and neural stochastic differential equations (SDEs) combined with a probability integral transform penalty to reduce model misspecification. We demonstrate that learning the joint dynamics of IV surfaces and prices produces market scenarios that are consistent with historical features and lie within the sub-manifold of surfaces that are essentially free of static arbitrage. Finally, we demonstrate that delta hedging using the simulated surfaces generates profit and loss (P&L) distributions that are consistent with realised P&Ls.

Learning with Explanation Constraints. (arXiv:2303.14496v3 [cs.LG] UPDATED)

Authors: Rattana Pukdee, Dylan Sam, J. Zico Kolter, Maria-Florina Balcan, Pradeep Ravikumar

As larger deep learning models are hard to interpret, there has been a recent focus on generating explanations of these black-box models. In contrast, we may have apriori explanations of how models should behave. In this paper, we formalize this notion as learning from explanation constraints and provide a learning theoretic framework to analyze how such explanations can improve the learning of our models. One may naturally ask, "When would these explanations be helpful?" Our first key contribution addresses this question via a class of models that satisfies these explanation constraints in expectation over new data. We provide a characterization of the benefits of these models (in terms of the reduction of their Rademacher complexities) for a canonical class of explanations given by gradient information in the settings of both linear models and two layer neural networks. In addition, we provide an algorithmic solution for our framework, via a variational approximation that achieves better performance and satisfies these constraints more frequently, when compared to simpler augmented Lagrangian methods to incorporate these explanations. We demonstrate the benefits of our approach over a large array of synthetic and real-world experiments.

Robust Risk-Aware Option Hedging. (arXiv:2303.15216v3 [q-fin.CP] UPDATED)

Authors: David Wu, Sebastian Jaimungal

The objectives of option hedging/trading extend beyond mere protection against downside risks, with a desire to seek gains also driving agent's strategies. In this study, we showcase the potential of robust risk-aware reinforcement learning (RL) in mitigating the risks associated with path-dependent financial derivatives. We accomplish this by leveraging a policy gradient approach that optimises robust risk-aware performance criteria. We specifically apply this methodology to the hedging of barrier options, and highlight how the optimal hedging strategy undergoes distortions as the agent moves from being risk-averse to risk-seeking. As well as how the agent robustifies their strategy. We further investigate the performance of the hedge when the data generating process (DGP) varies from the training DGP, and demonstrate that the robust strategies outperform the non-robust ones.

Deep Manifold Learning for Reading Comprehension and Logical Reasoning Tasks with Polytuplet Loss. (arXiv:2304.01046v4 [cs.CL] UPDATED)

Authors: Jeffrey Lu, Ivan Rodriguez

The current trend in developing machine learning models for reading comprehension and logical reasoning tasks is focused on improving the models' abilities to understand and utilize logical rules. This work focuses on providing a novel loss function and accompanying model architecture that has more interpretable components than some other models by representing a common strategy employed by humans when given reading comprehension and logical reasoning tasks. Our strategy involves emphasizing relative accuracy over absolute accuracy and can theoretically produce the correct answer with incomplete knowledge. We examine the effectiveness of this strategy to solve reading comprehension and logical reasoning questions. The models were evaluated on the ReClor dataset, a challenging reading comprehension and logical reasoning benchmark. We propose the polytuplet loss function, which forces prioritization of learning the relative correctness of answer choices over learning the true accuracy of each choice. Our results indicate that models employing polytuplet loss outperform existing baseline models, though further research is required to quantify the benefits it may present.

Structured prompt interrogation and recursive extraction of semantics (SPIRES): A method for populating knowledge bases using zero-shot learning. (arXiv:2304.02711v2 [cs.AI] UPDATED)

Authors: J. Harry Caufield, Harshad Hegde, Vincent Emonet, Nomi L. Harris, Marcin P. Joachimiak, Nicolas Matentzoglu, HyeongSik Kim, Sierra A.T. Moxon, Justin T. Reese, Melissa A. Haendel, Peter N. Robinson, Christopher J. Mungall

Creating knowledge bases and ontologies is a time consuming task that relies on a manual curation. AI/NLP approaches can assist expert curators in populating these knowledge bases, but current approaches rely on extensive training data, and are not able to populate arbitrary complex nested knowledge schemas.

Here we present Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES), a Knowledge Extraction approach that relies on the ability of Large Language Models (LLMs) to perform zero-shot learning (ZSL) and general-purpose query answering from flexible prompts and return information conforming to a specified schema. Given a detailed, user-defined knowledge schema and an input text, SPIRES recursively performs prompt interrogation against GPT-3+ to obtain a set of responses matching the provided schema. SPIRES uses existing ontologies and vocabularies to provide identifiers for all matched elements.

We present examples of use of SPIRES in different domains, including extraction of food recipes, multi-species cellular signaling pathways, disease treatments, multi-step drug mechanisms, and chemical to disease causation graphs. Current SPIRES accuracy is comparable to the mid-range of existing Relation Extraction (RE) methods, but has the advantage of easy customization, flexibility, and, crucially, the ability to perform new tasks in the absence of any training data. This method supports a general strategy of leveraging the language interpreting capabilities of LLMs to assemble knowledge bases, assisting manual knowledge curation and acquisition while supporting validation with publicly-available databases and ontologies external to the LLM.

SPIRES is available as part of the open source OntoGPT package: https://github.com/ monarch-initiative/ontogpt.

Segment Anything Model for Medical Images?. (arXiv:2304.14660v6 [eess.IV] UPDATED)

Authors: Yuhao Huang, Xin Yang, Lian Liu, Han Zhou, Ao Chang, Xinrui Zhou, Rusi Chen, Junxuan Yu, Jiongquan Chen, Chaoyu Chen, Sijing Liu, Haozhe Chi, Xindi Hu, Kejuan Yue, Lei Li, Vicente Grau, Deng-Ping Fan, Fajin Dong, Dong Ni

The Segment Anything Model (SAM) is the first foundation model for general image segmentation. It has achieved impressive results on various natural image segmentation tasks. However, medical image segmentation (MIS) is more challenging because of the complex modalities, fine anatomical structures, uncertain and complex object boundaries, and wide-range object scales. To fully validate SAM's performance on medical data, we collected and sorted 53 open-source datasets and built a large medical segmentation dataset with 18 modalities, 84 objects, 125 object-modality paired targets, 1050K 2D images, and 6033K masks. We comprehensively analyzed different models and strategies on the so-called COSMOS 1050K dataset. Our findings mainly include the following: 1) SAM showed remarkable performance in some specific objects but was unstable, imperfect, or even totally failed in other situations. 2) SAM with the large ViT-H showed better overall performance than that with the small ViT-B. 3) SAM performed better with manual hints, especially box, than the Everything mode. 4) SAM could help human annotation with high labeling quality and less time. 5) SAM was sensitive to the randomness in the center point and tight box prompts, and may suffer from a serious performance drop. 6) SAM performed better than interactive methods with one or a few points, but will be outpaced as the number of points increases. 7) SAM's performance correlated to different factors, including boundary complexity, intensity differences, etc. 8) Finetuning the SAM on specific medical tasks could improve its average DICE performance by 4.39% and 6.68% for ViT-B and ViT-H, respectively. We hope that this comprehensive report can help researchers explore the potential of SAM applications in MIS, and guide how to appropriately use and develop SAM.

CAMEL: Co-Designing AI Models and Embedded DRAMs for Efficient On-Device Learning. (arXiv:2305.03148v3 [cs.AR] UPDATED)

Authors: Sai Qian Zhang, Thierry Tambe, Nestor Cuevas, Gu-Yeon Wei, David Brooks

On-device learning allows AI models to adapt to user data, thereby enhancing service quality on edge platforms. However, training AI on resource-limited devices poses significant challenges due to the demanding computing workload and the substantial memory consumption and data access required by deep neural networks (DNNs). To address these issues, we propose utilizing embedded dynamic random-access memory (eDRAM) as the primary storage medium for transient training data. In comparison to static random-access memory (SRAM), eDRAM provides higher storage density and lower leakage power, resulting in reduced access cost and power leakage. Nevertheless, to maintain the integrity of the stored data, periodic power-hungry refresh operations could potentially degrade system performance.

To minimize the occurrence of expensive eDRAM refresh operations, it is beneficial to shorten the lifetime of stored data during the training process. To achieve this, we adopt the principles of algorithm and hardware co-design, introducing a family of reversible DNN architectures that effectively decrease data lifetime and storage costs throughout training. Additionally, we present a highly efficient on-device training engine named \textit{CAMEL}, which leverages eDRAM as the primary on-chip memory. This engine enables efficient on-device training with significantly reduced memory usage and off-chip DRAM traffic while maintaining superior training accuracy. We evaluate our CAMEL system on multiple DNNs with different datasets, demonstrating a $2.5\times$ speedup of the training process and $2.8\times$ training energy savings than the other baseline hardware platforms.

Causal Discovery from Subsampled Time Series with Proxy Variables. (arXiv:2305.05276v5 [cs.LG] UPDATED)

Authors: Mingzhou Liu, Xinwei Sun, Lingjing Hu, Yizhou Wang

Inferring causal structures from time series data is the central interest of many scientific inquiries. A major barrier to such inference is the problem of subsampling, i.e., the frequency of measurement is much lower than that of causal influence. To overcome this problem, numerous methods have been proposed, yet either was limited to the linear case or failed to achieve identifiability. In this paper, we propose a constraint-based algorithm that can identify the entire causal structure from subsampled time series, without any parametric constraint. Our observation is that the challenge of subsampling arises mainly from hidden variables at the unobserved time steps. Meanwhile, every hidden variable has an observed proxy, which is essentially itself at some observable time in the future, benefiting from the temporal structure. Based on these, we can leverage the proxies to remove the bias induced by the hidden variables and hence achieve identifiability. Following this intuition, we propose a proxy-based causal discovery algorithm. Our algorithm is nonparametric and can achieve full causal identification. Theoretical advantages are reflected in synthetic and real-world experiments.

Neural Lyapunov Control for Discrete-Time Systems. (arXiv:2305.06547v3 [cs.LG] UPDATED)

Authors: Junlin Wu, Andrew Clark, Yiannis Kantaros, Yevgeniy Vorobeychik

While ensuring stability for linear systems is well understood, it remains a major challenge for nonlinear systems. A general approach in such cases is to compute a combination of a Lyapunov function and an associated control policy. However, finding Lyapunov functions for general nonlinear systems is a challenging task. To address this challenge, several methods have been proposed that represent Lyapunov functions using neural networks. However, such approaches either focus on continuous-time systems, or highly restricted classes of nonlinear dynamics. We propose the first approach for learning neural Lyapunov control in a broad class of discrete-time systems. Three key ingredients enable us to effectively learn provably stable control policies. The first is a novel mixed-integer linear programming approach for verifying the discrete-time Lyapunov stability conditions, leveraging the particular structure of these conditions. The second is a novel approach for computing verified sublevel sets. The third is a heuristic gradient-based method for quickly finding counterexamples to significantly speed up Lyapunov function learning. Our experiments on four standard benchmarks demonstrate that our approach significantly outperforms state-of-the-art baselines. For example, on the path tracking benchmark, we outperform recent neural Lyapunov control baselines by an order of magnitude in both running time and the size of the region of attraction, and on two of the four benchmarks (cartpole and PVTOL), ours is the first automated approach to return a provably stable controller. Our code is available at: https://github.com/jlwu002/nlc_discrete.

Implicitly normalized forecaster with clipping for linear and non-linear heavy-tailed multi-armed bandits. (arXiv:2305.06743v3 [cs.LG] UPDATED)

Authors: Yuriy Dorn, Nikita Kornilov, Nikolay Kutuzov, Alexander Nazin, Eduard Gorbunov, Alexander Gasnikov

The Implicitly Normalized Forecaster (INF) algorithm is considered to be an optimal solution for adversarial multi-armed bandit (MAB) problems. However, most of the existing complexity results for INF rely on restrictive assumptions, such as bounded rewards. Recently, a related algorithm was proposed that works for both adversarial and stochastic heavy-tailed MAB settings. However, this algorithm fails to fully exploit the available data.

In this paper, we propose a new version of INF called the Implicitly Normalized Forecaster with clipping (INF-clip) for MAB problems with heavy-tailed reward distributions. We establish convergence results under mild assumptions on the rewards distribution and demonstrate that INF-clip is optimal for linear heavy-tailed stochastic MAB problems and works well for non-linear ones. Furthermore, we show that INF-clip outperforms the best-of-both-worlds algorithm in cases where it is difficult to distinguish between different arms.

The Adversarial Consistency of Surrogate Risks for Binary Classification. (arXiv:2305.09956v3 [cs.LG] UPDATED)

Authors: Natalie Frank, Jonathan Niles-Weed

We study the consistency of surrogate risks for robust binary classification. It is common to learn robust classifiers by adversarial training, which seeks to minimize the expected $0$-$1$ loss when each example can be maliciously corrupted within a small ball. We give a simple and complete characterization of the set of surrogate loss functions that are \emph{consistent}, i.e., that can replace the $0$-$1$ loss without affecting the minimizing sequences of the original adversarial risk, for any data distribution. We also prove a quantitative version of adversarial consistency for the $\rho$-margin loss. Our results reveal that the class of adversarially consistent surrogates is substantially smaller than in the standard setting, where many common surrogates are known to be consistent.

GQA: Training Generalized Multi-Query Transformer Models from Multi-Head Checkpoints. (arXiv:2305.13245v3 [cs.CL] UPDATED)

Authors: Joshua Ainslie, James Lee-Thorp, Michiel de Jong, Yury Zemlyanskiy, Federico Lebrón, Sumit Sanghai

Multi-query attention (MQA), which only uses a single key-value head, drastically speeds up decoder inference. However, MQA can lead to quality degradation, and moreover it may not be desirable to train a separate model just for faster inference. We (1) propose a recipe for uptraining existing multi-head language model checkpoints into models with MQA using 5% of original pre-training compute, and (2) introduce grouped-query attention (GQA), a generalization of multi-query attention which uses an intermediate (more than one, less than number of query heads) number of key-value heads. We show that uptrained GQA achieves quality close to multi-head attention with comparable speed to MQA.

Chain-of-Questions Training with Latent Answers for Robust Multistep Question Answering. (arXiv:2305.14901v3 [cs.CL] UPDATED)

Authors: Wang Zhu, Jesse Thomason, Robin Jia

We train a language model (LM) to robustly answer multistep questions by generating and answering sub-questions. We propose Chain-of-Questions, a framework that trains a model to generate sub-questions and sub-answers one at a time by leveraging human annotated question decomposition meaning representation (QDMR). The key technical challenge is that QDMR only contains sub-questions but not answers to those sub-questions, so we treat sub-answers as latent variables and optimize them using a novel dynamic mixture of Hard-EM and MAPO. Chain-of-Questions greatly outperforms strong neuro-symbolic methods by 9.0 F1 on DROP contrast set, and outperforms GPT-3.5 by 24.3 F1 on HOTPOTQA adversarial set, thus demonstrating the effectiveness and robustness of our framework.

From Shortcuts to Triggers: Backdoor Defense with Denoised PoE. (arXiv:2305.14910v2 [cs.CL] UPDATED)

Authors: Qin Liu, Fei Wang, Chaowei Xiao, Muhao Chen

Language models are often at risk of diverse backdoor attacks, especially data poisoning. Thus, it is important to investigate defense solutions for addressing them. Existing backdoor defense methods mainly focus on backdoor attacks with explicit triggers, leaving a universal defense against various backdoor attacks with diverse triggers largely unexplored. In this paper, we propose an end-to-end ensemble-based backdoor defense framework, DPoE (Denoised Product-of-Experts), which is inspired by the shortcut nature of backdoor attacks, to defend various backdoor attacks. DPoE consists of two models: a shallow model that captures the backdoor shortcuts and a main model that is prevented from learning the backdoor shortcuts. To address the label flip caused by backdoor attackers, DPoE incorporates a denoising design. Experiments on SST-2 dataset show that DPoE significantly improves the defense performance against various types of backdoor triggers including word-level, sentence-level, and syntactic triggers. Furthermore, DPoE is also effective under a more challenging but practical setting that mixes multiple types of trigger.

Learning Rate Free Sampling in Constrained Domains. (arXiv:2305.14943v3 [stat.ML] UPDATED)

Authors: Louis Sharrock, Lester Mackey, Christopher Nemeth

We introduce a suite of new particle-based algorithms for sampling in constrained domains which are entirely learning rate free. Our approach leverages coin betting ideas from convex optimisation, and the viewpoint of constrained sampling as a mirrored optimisation problem on the space of probability measures. Based on this viewpoint, we also introduce a unifying framework for several existing constrained sampling algorithms, including mirrored Langevin dynamics and mirrored Stein variational gradient descent. We demonstrate the performance of our algorithms on a range of numerical examples, including sampling from targets on the simplex, sampling with fairness constraints, and constrained sampling problems in post-selection inference. Our results indicate that our algorithms achieve competitive performance with existing constrained sampling methods, without the need to tune any hyperparameters.

Towards Revealing the Mystery behind Chain of Thought: A Theoretical Perspective. (arXiv:2305.15408v5 [cs.LG] UPDATED)

Authors: Guhao Feng, Bohang Zhang, Yuntian Gu, Haotian Ye, Di He, Liwei Wang

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

Coarse-Tuning Models of Code with Reinforcement Learning Feedback. (arXiv:2305.18341v2 [cs.PL] UPDATED)

Authors: Abhinav Jain (1), Chima Adiole (1), Swarat Chaudhuri (2), Thomas Reps (3), Chris Jermaine (1) ((1) Rice University, (2) UT Austin, (3) University of Wisconsin)

Large Language Models (LLMs) pre-trained on code have recently emerged as the dominant approach to program synthesis. However, these models are trained using next-token prediction, which ignores the syntax and semantics of code. We propose RLCF, that further trains a pre-trained LLM via reinforcement learning, using feedback from a grounding function that scores the quality of the code. The grounding function uses (i) compiler-derived feedback on whether the code it generates passes a set of correctness checks; and (ii) feedback from a different LLM that compares the generated code to a reference code. RLCF is model- and language-agnostic. We empirically evaluate it on the MBJP and MathQA tasks for Java. Our experiments show that RLCF raises the odds that an LLM-generated program compiles, is executable, and produces the right output on tests, often allowing LLMs to match the performance of 2x-8x larger LLMs.

Embedding Inequalities for Barron-type Spaces. (arXiv:2305.19082v2 [stat.ML] UPDATED)

Authors: Lei Wu

One of the fundamental problems in deep learning theory is understanding the approximation and generalization properties of two-layer neural networks in high dimensions. In order to tackle this issue, researchers have introduced the Barron space $\mathcal{B}_s(\Omega)$ and the spectral Barron space $\mathcal{F}_s(\Omega)$, where the index $s$ characterizes the smoothness of functions within these spaces and $\Omega\subset\mathbb{R}^d$ represents the input domain. However, it is still not clear what is the relationship between the two types of Barron spaces. In this paper, we establish continuous embeddings between these spaces as implied by the following inequality: for any $\delta\in (0,1), s\in \mathbb{N}^{+}$ and $f: \Omega \mapsto\mathbb{R}$, it holds that \[ \delta\gamma^{\delta-s}_{\Omega}\|f\|_{\mathcal{F}_{s-\delta}(\Omega)}\lesssim_s \|f\|_{\mathcal{B}_s(\Omega)}\lesssim_s \|f\|_{\mathcal{F}_{s+1}(\Omega)}, \] where $\gamma_{\Omega}=\sup_{\|v\|_2=1,x\in\Omega}|v^Tx|$ and notably, the hidden constants depend solely on the value of $s$. Furthermore, we provide examples to demonstrate that the lower bound is tight.

Dynamic Algorithms for Matroid Submodular Maximization. (arXiv:2306.00959v2 [cs.DS] UPDATED)

Authors: Kiarash Banihashem, Leyla Biabani, Samira Goudarzi, MohammadTaghi Hajiaghayi, Peyman Jabbarzade, Morteza Monemizadeh

Submodular maximization under matroid and cardinality constraints are classical problems with a wide range of applications in machine learning, auction theory, and combinatorial optimization. In this paper, we consider these problems in the dynamic setting, where (1) we have oracle access to a monotone submodular function $f: 2^{V} \rightarrow \mathbb{R}^+$ and (2) we are given a sequence $\mathcal{S}$ of insertions and deletions of elements of an underlying ground set $V$.

We develop the first fully dynamic $(4+\epsilon)$-approximation algorithm for the submodular maximization problem under the matroid constraint using an expected worst-case $O(k\log(k)\log^3{(k/\epsilon)})$ query complexity where $0 < \epsilon \le 1$. This resolves an open problem of Chen and Peng (STOC'22) and Lattanzi et al. (NeurIPS'20).

As a byproduct, for the submodular maximization under the cardinality constraint $k$, we propose a parameterized (by the cardinality constraint $k$) dynamic algorithm that maintains a $(2+\epsilon)$-approximate solution of the sequence $\mathcal{S}$ at any time $t$ using an expected worst-case query complexity $O(k\epsilon^{-1}\log^2(k))$. This is the first dynamic algorithm for the problem that has a query complexity independent of the size of ground set $V$.

UADB: Unsupervised Anomaly Detection Booster. (arXiv:2306.01997v2 [cs.LG] UPDATED)

Authors: Hangting Ye, Zhining Liu, Xinyi Shen, Wei Cao, Shun Zheng, Xiaofan Gui, Huishuai Zhang, Yi Chang, Jiang Bian

Unsupervised Anomaly Detection (UAD) is a key data mining problem owing to its wide real-world applications. Due to the complete absence of supervision signals, UAD methods rely on implicit assumptions about anomalous patterns (e.g., scattered/sparsely/densely clustered) to detect anomalies. However, real-world data are complex and vary significantly across different domains. No single assumption can describe such complexity and be valid in all scenarios. This is also confirmed by recent research that shows no UAD method is omnipotent. Based on above observations, instead of searching for a magic universal winner assumption, we seek to design a general UAD Booster (UADB) that empowers any UAD models with adaptability to different data. This is a challenging task given the heterogeneous model structures and assumptions adopted by existing UAD methods. To achieve this, we dive deep into the UAD problem and find that compared to normal data, anomalies (i) lack clear structure/pattern in feature space, thus (ii) harder to learn by model without a suitable assumption, and finally, leads to (iii) high variance between different learners. In light of these findings, we propose to (i) distill the knowledge of the source UAD model to an imitation learner (booster) that holds no data assumption, then (ii) exploit the variance between them to perform automatic correction, and thus (iii) improve the booster over the original UAD model. We use a neural network as the booster for its strong expressive power as a universal approximator and ability to perform flexible post-hoc tuning. Note that UADB is a model-agnostic framework that can enhance heterogeneous UAD models in a unified way. Extensive experiments on over 80 tabular datasets demonstrate the effectiveness of UADB.

GEO-Bench: Toward Foundation Models for Earth Monitoring. (arXiv:2306.03831v2 [cs.LG] UPDATED)

Authors: Alexandre Lacoste, Nils Lehmann, Pau Rodriguez, Evan David Sherwin, Hannah Kerner, Björn Lütjens, Jeremy Andrew Irvin, David Dao, Hamed Alemohammad, Alexandre Drouin, Mehmet Gunturkun, Gabriel Huang, David Vazquez, Dava Newman, Yoshua Bengio, Stefano Ermon, Xiao Xiang Zhu

Recent progress in self-supervision has shown that pre-training large neural networks on vast amounts of unsupervised data can lead to substantial increases in generalization to downstream tasks. Such models, recently coined foundation models, have been transformational to the field of natural language processing. Variants have also been proposed for image data, but their applicability to remote sensing tasks is limited. To stimulate the development of foundation models for Earth monitoring, we propose a benchmark comprised of six classification and six segmentation tasks, which were carefully curated and adapted to be both relevant to the field and well-suited for model evaluation. We accompany this benchmark with a robust methodology for evaluating models and reporting aggregated results to enable a reliable assessment of progress. Finally, we report results for 20 baselines to gain information about the performance of existing models. We believe that this benchmark will be a driver of progress across a variety of Earth monitoring tasks.

Fault Localization for Buggy Deep Learning Framework Conversions in Image Recognition. (arXiv:2306.06157v4 [cs.CV] UPDATED)

Authors: Nikolaos Louloudakis, Perry Gibson, José Cano, Ajitha Rajan

When deploying Deep Neural Networks (DNNs), developers often convert models from one deep learning framework to another (e.g., TensorFlow to PyTorch). However, this process is error-prone and can impact target model accuracy. To identify the extent of such impact, we perform and briefly present a differential analysis against three DNNs widely used for image recognition (MobileNetV2, ResNet101, and InceptionV3) converted across four well-known deep learning frameworks (PyTorch, Keras, TensorFlow (TF), and TFLite), which revealed numerous model crashes and output label discrepancies of up to 72%. To mitigate such errors, we present a novel approach towards fault localization and repair of buggy deep learning framework conversions, focusing on pre-trained image recognition models. Our technique consists of four stages of analysis: 1) conversion tools, 2) model parameters, 3) model hyperparameters, and 4) graph representation. In addition, we propose various strategies towards fault repair of the faults detected. We implement our technique on top of the Apache TVM deep learning compiler, and we test it by conducting a preliminary fault localization analysis for the conversion of InceptionV3 from TF to TFLite. Our approach detected a fault in a common DNN converter tool, which introduced precision errors in weights, reducing model accuracy. After our fault localization, we repaired the issue, reducing our conversion error to zero.

DeltaNN: Assessing the Impact of Computational Environment Parameters on the Performance of Image Recognition Models. (arXiv:2306.06208v4 [cs.CV] UPDATED)

Authors: Nikolaos Louloudakis, Perry Gibson, José Cano, Ajitha Rajan

Image recognition tasks typically use deep learning and require enormous processing power, thus relying on hardware accelerators like GPUs and TPUs for fast, timely processing. Failure in real-time image recognition tasks can occur due to sub-optimal mapping on hardware accelerators during model deployment, which may lead to timing uncertainty and erroneous behavior. Mapping on hardware accelerators is done using multiple software components like deep learning frameworks, compilers, and device libraries, that we refer to as the computational environment. Owing to the increased use of image recognition tasks in safety-critical applications like autonomous driving and medical imaging, it is imperative to assess their robustness to changes in the computational environment, as the impact of parameters like deep learning frameworks, compiler optimizations, and hardware devices on model performance and correctness is not yet well understood.

In this paper we present a differential testing framework, DeltaNN, that allows us to assess the impact of different computational environment parameters on the performance of image recognition models during deployment, post training. DeltaNN generates different implementations of a given image recognition model for variations in environment parameters, namely, deep learning frameworks, compiler optimizations and hardware devices and analyzes differences in model performance as a result. Using DeltaNN, we conduct an empirical study of robustness analysis of three popular image recognition models using the ImageNet dataset. We report the impact in terms of misclassifications and inference time differences across different settings. In total, we observed up to 72% output label differences across deep learning frameworks, and up to 81% unexpected performance degradation in terms of inference time, when applying compiler optimizations.

OpenGSL: A Comprehensive Benchmark for Graph Structure Learning. (arXiv:2306.10280v4 [cs.LG] UPDATED)

Authors: Zhiyao Zhou, Sheng Zhou, Bochao Mao, Xuanyi Zhou, Jiawei Chen, Qiaoyu Tan, Daochen Zha, Yan Feng, Chun Chen, Can Wang

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. We also find that there is no significant correlation between the homophily of the learned structure and task performance, challenging the common belief. Moreover, we observe that the learned graph structure demonstrates a strong generalization ability across different GNN models, despite the high computational and space consumption. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in this field. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.

Differentially Private Over-the-Air Federated Learning Over MIMO Fading Channels. (arXiv:2306.10982v3 [cs.IT] UPDATED)

Authors: Hang Liu, Jia Yan, Ying-Jun Angela Zhang

Federated learning (FL) enables edge devices to collaboratively train machine learning models, with model communication replacing direct data uploading. While over-the-air model aggregation improves communication efficiency, uploading models to an edge server over wireless networks can pose privacy risks. Differential privacy (DP) is a widely used quantitative technique to measure statistical data privacy in FL. Previous research has focused on over-the-air FL with a single-antenna server, leveraging communication noise to enhance user-level DP. This approach achieves the so-called "free DP" by controlling transmit power rather than introducing additional DP-preserving mechanisms at devices, such as adding artificial noise. In this paper, we study differentially private over-the-air FL over a multiple-input multiple-output (MIMO) fading channel. We show that FL model communication with a multiple-antenna server amplifies privacy leakage as the multiple-antenna server employs separate receive combining for model aggregation and information inference. Consequently, relying solely on communication noise, as done in the multiple-input single-output system, cannot meet high privacy requirements, and a device-side privacy-preserving mechanism is necessary for optimal DP design. We analyze the learning convergence and privacy loss of the studied FL system and propose a transceiver design algorithm based on alternating optimization. Numerical results demonstrate that the proposed method achieves a better privacy-learning trade-off compared to prior work.

Sample Complexity for Quadratic Bandits: Hessian Dependent Bounds and Optimal Algorithms. (arXiv:2306.12383v3 [cs.LG] UPDATED)

Authors: Qian Yu, Yining Wang, Baihe Huang, Qi Lei, Jason D. Lee

In stochastic zeroth-order optimization, a problem of practical relevance is understanding how to fully exploit the local geometry of the underlying objective function. We consider a fundamental setting in which the objective function is quadratic, and provide the first tight characterization of the optimal Hessian-dependent sample complexity. Our contribution is twofold. First, from an information-theoretic point of view, we prove tight lower bounds on Hessian-dependent complexities by introducing a concept called energy allocation, which captures the interaction between the searching algorithm and the geometry of objective functions. A matching upper bound is obtained by solving the optimal energy spectrum. Then, algorithmically, we show the existence of a Hessian-independent algorithm that universally achieves the asymptotic optimal sample complexities for all Hessian instances. The optimal sample complexities achieved by our algorithm remain valid for heavy-tailed noise distributions, which are enabled by a truncation method.

An efficient and straightforward online quantization method for a data stream through remove-birth updating. (arXiv:2306.12574v2 [cs.LG] UPDATED)

Authors: Kazuhisa Fujita

The growth of network-connected devices has led to an exponential increase in data generation, creating significant challenges for efficient data analysis. This data is generated continuously, creating a dynamic flow known as a data stream. The characteristics of a data stream may change dynamically, and this change is known as concept drift. Consequently, a method for handling data streams must efficiently reduce their volume while dynamically adapting to these changing characteristics. This paper proposes a simple online vector quantization method for concept drift. The proposed method identifies and replaces units with low win probability through remove-birth updating, thus achieving a rapid adaptation to concept drift. Furthermore, the results of this study show that the proposed method can generate minimal dead units even in the presence of concept drift. This study also suggests that some metrics calculated from the proposed method will be helpful for drift detection.

TransformerG2G: Adaptive time-stepping for learning temporal graph embeddings using transformers. (arXiv:2307.02588v2 [cs.LG] UPDATED)

Authors: Alan John Varghese, Aniruddha Bora, Mengjia Xu, George Em Karniadakis

Dynamic graph embedding has emerged as a very effective technique for addressing diverse temporal graph analytic tasks (i.e., link prediction, node classification, recommender systems, anomaly detection, and graph generation) in various applications. Such temporal graphs exhibit heterogeneous transient dynamics, varying time intervals, and highly evolving node features throughout their evolution. Hence, incorporating long-range dependencies from the historical graph context plays a crucial role in accurately learning their temporal dynamics. In this paper, we develop a graph embedding model with uncertainty quantification, TransformerG2G, by exploiting the advanced transformer encoder to first learn intermediate node representations from its current state ($t$) and previous context (over timestamps [$t-1, t-l$], $l$ is the length of context). Moreover, we employ two projection layers to generate lower-dimensional multivariate Gaussian distributions as each node's latent embedding at timestamp $t$. We consider diverse benchmarks with varying levels of ``novelty" as measured by the TEA (Temporal Edge Appearance) plots. Our experiments demonstrate that the proposed TransformerG2G model outperforms conventional multi-step methods and our prior work (DynG2G) in terms of both link prediction accuracy and computational efficiency, especially for high degree of novelty. Furthermore, the learned time-dependent attention weights across multiple graph snapshots reveal the development of an automatic adaptive time stepping enabled by the transformer. Importantly, by examining the attention weights, we can uncover temporal dependencies, identify influential elements, and gain insights into the complex interactions within the graph structure. For example, we identified a strong correlation between attention weights and node degree at the various stages of the graph topology evolution.

Large Language Models Empowered Autonomous Edge AI for Connected Intelligence. (arXiv:2307.02779v3 [cs.IT] UPDATED)

Authors: Yifei Shen, Jiawei Shao, Xinjie Zhang, Zehong Lin, Hao Pan, Dongsheng Li, Jun Zhang, Khaled B. Letaief

The evolution of wireless networks gravitates towards connected intelligence, a concept that envisions seamless interconnectivity among humans, objects, and intelligence in a hyper-connected cyber-physical world. Edge artificial intelligence (Edge AI) is a promising solution to achieve connected intelligence by delivering high-quality, low-latency, and privacy-preserving AI services at the network edge. This article presents a vision of autonomous edge AI systems that automatically organize, adapt, and optimize themselves to meet users' diverse requirements, leveraging the power of large language models (LLMs), i.e., Generative Pretrained Transformer (GPT). By exploiting the powerful abilities of GPT in language understanding, planning, and code generation, as well as incorporating classic wisdom such as task-oriented communication and edge federated learning, we present a versatile framework that efficiently coordinates edge AI models to cater to users' personal demands while automatically generating code to train new models in a privacy-preserving manner. Experimental results demonstrate the system's remarkable ability to accurately comprehend user demands, efficiently execute AI models with minimal cost, and effectively create high-performance AI models at edge servers.

CPDG: A Contrastive Pre-Training Method for Dynamic Graph Neural Networks. (arXiv:2307.02813v3 [cs.LG] UPDATED)

Authors: Yuanchen Bei, Hao Xu, Sheng Zhou, Huixuan Chi, Haishuai Wang, Mengdi Zhang, Zhao Li, Jiajun Bu

Dynamic graph data mining has gained popularity in recent years due to the rich information contained in dynamic graphs and their widespread use in the real world. Despite the advances in dynamic graph neural networks (DGNNs), the rich information and diverse downstream tasks have posed significant difficulties for the practical application of DGNNs in industrial scenarios. To this end, in this paper, we propose to address them by pre-training and present the Contrastive Pre-Training Method for Dynamic Graph Neural Networks (CPDG). CPDG tackles the challenges of pre-training for DGNNs, including generalization capability and long-short term modeling capability, through a flexible structural-temporal subgraph sampler along with structural-temporal contrastive pre-training schemes. Extensive experiments conducted on both large-scale research and industrial dynamic graph datasets show that CPDG outperforms existing methods in dynamic graph pre-training for various downstream tasks under three transfer settings.

Learned Kernels for Interpretable and Efficient Medical Time Series Processing. (arXiv:2307.05385v2 [eess.SP] UPDATED)

Authors: Sully F. Chen, Zhicheng Guo, Cheng Ding, Xiao Hu, Cynthia Rudin

Background: Signal processing methods are the foundation for clinical interpretation across a wide variety of medical applications. The advent of deep learning allowed for an explosion of new models that offered unprecedented performance but at a cost: deep learning models are often compute-intensive and lack interpretability.

Methods: We propose a sparse, interpretable architecture for medical time series processing. The method learns a set of lightweight flexible kernels to construct a single-layer neural network, providing a new efficient, robust, and interpretable approach. We introduce novel parameter reduction techniques to further reduce the size of our network. We demonstrate the power of our architecture on the important task of photoplethysmography artifact detection, where our approach has performance similar to the state-of-the-art deep neural networks with several orders of magnitude fewer parameters, allowing for the integration of deep neural network level performance into extremely low-power wearable devices.

Results: Our interpretable method achieves greater than 99\% of the performance of the state-of-the-art methods on the artifact detection task, and even outperforms the state-of-the-art on a challenging out-of-distribution test set, while using dramatically fewer parameters (2\% of the parameters of Segade, and about half of the parameters of Tiny-PPG).

Conclusions: Learned kernels are competitive with deep neural networks for medical time series processing with dramatically fewer parameters. Our method is particularly suited for real-time applications and low-power devices, and it maintains interpretability.

Voting-based Multimodal Automatic Deception Detection. (arXiv:2307.07516v2 [cs.LG] UPDATED)

Authors: Lana Touma, Mohammad Al Horani, Manar Tailouni, Anas Dahabiah, Khloud Al Jallad

Automatic Deception Detection has been a hot research topic for a long time, using machine learning and deep learning to automatically detect deception, brings new light to this old field. In this paper, we proposed a voting-based method for automatic deception detection from videos using audio, visual and lexical features. Experiments were done on two datasets, the Real-life trial dataset by Michigan University and the Miami University deception detection dataset. Video samples were split into frames of images, audio, and manuscripts. Our Voting-based Multimodal proposed solution consists of three models. The first model is CNN for detecting deception from images, the second model is Support Vector Machine (SVM) on Mel spectrograms for detecting deception from audio and the third model is Word2Vec on Support Vector Machine (SVM) for detecting deception from manuscripts. Our proposed solution outperforms state of the art. Best results achieved on images, audio and text were 97%, 96%, 92% respectively on Real-Life Trial Dataset, and 97%, 82%, 73% on video, audio and text respectively on Miami University Deception Detection.

Learning Resource Allocation Policy: Vertex-GNN or Edge-GNN?. (arXiv:2307.12480v2 [cs.LG] UPDATED)

Authors: Yao Peng, Jia Guo, Chenyang Yang

Graph neural networks (GNNs) update the hidden representations of vertices (called Vertex-GNNs) or hidden representations of edges (called Edge-GNNs) by processing and pooling the information of neighboring vertices and edges and combining to exploit topology information. When learning resource allocation policies, GNNs cannot perform well if their expressive power is weak, i.e., if they cannot differentiate all input features such as channel matrices. In this paper, we analyze the expressive power of the Vertex-GNNs and Edge-GNNs for learning three representative wireless policies: link scheduling, power control, and precoding policies. We find that the expressive power of the GNNs depends on the linearity and output dimensions of the processing and combination functions. When linear processors are used, the Vertex-GNNs cannot differentiate all channel matrices due to the loss of channel information, while the Edge-GNNs can. When learning the precoding policy, even the Vertex-GNNs with non-linear processors may not be with strong expressive ability due to the dimension compression. We proceed to provide necessary conditions for the GNNs to well learn the precoding policy. Simulation results validate the analyses and show that the Edge-GNNs can achieve the same performance as the Vertex-GNNs with much lower training and inference time.

Fixed Integral Neural Networks. (arXiv:2307.14439v4 [cs.LG] UPDATED)

Authors: Ryan Kortvelesy

It is often useful to perform integration over learned functions represented by neural networks. However, this integration is usually performed numerically, as analytical integration over learned functions (especially neural networks) is generally viewed as intractable. In this work, we present a method for representing the analytical integral of a learned function $f$. This allows the exact integral of a neural network to be computed, and enables constrained neural networks to be parametrised by applying constraints directly to the integral. Crucially, we also introduce a method to constrain $f$ to be positive, a necessary condition for many applications (e.g. probability distributions, distance metrics, etc). Finally, we introduce several applications where our fixed-integral neural network (FINN) can be utilised.

AFN: Adaptive Fusion Normalization via an Encoder-Decoder Framework. (arXiv:2308.03321v3 [cs.LG] UPDATED)

Authors: Zikai Zhou, Huanran Chen

The success of deep learning is inseparable from normalization layers. Researchers have proposed various normalization functions, and each of them has both advantages and disadvantages. In response, efforts have been made to design a unified normalization function that combines all normalization procedures and mitigates their weaknesses. We also proposed a new normalization function called Adaptive Fusion Normalization. Through experiments, we demonstrate AFN outperforms the previous normalization techniques in domain generalization and image classification tasks.

Knowledge Graph Prompting for Multi-Document Question Answering. (arXiv:2308.11730v3 [cs.CL] UPDATED)

Authors: Yu Wang, Nedim Lipka, Ryan A. Rossi, Alexa Siu, Ruiyi Zhang, Tyler Derr

The `pre-train, prompt, predict' paradigm of large language models (LLMs) has achieved remarkable success in open-domain question answering (OD-QA). However, few works explore this paradigm in the scenario of multi-document question answering (MD-QA), a task demanding a thorough understanding of the logical associations among the contents and structures of different documents. To fill this crucial gap, we propose a Knowledge Graph Prompting (KGP) method to formulate the right context in prompting LLMs for MD-QA, which consists of a graph construction module and a graph traversal module. For graph construction, we create a knowledge graph (KG) over multiple documents with nodes symbolizing passages or document structures (e.g., pages/tables), and edges denoting the semantic/lexical similarity between passages or intra-document structural relations. For graph traversal, we design an LLM-based graph traversal agent that navigates across nodes and gathers supporting passages assisting LLMs in MD-QA. The constructed graph serves as the global ruler that regulates the transitional space among passages and reduces retrieval latency. Concurrently, the graph traversal agent acts as a local navigator that gathers pertinent context to progressively approach the question and guarantee retrieval quality. Extensive experiments underscore the efficacy of KGP for MD-QA, signifying the potential of leveraging graphs in enhancing the prompt design for LLMs. Our code: https://github.com/YuWVandy/KG-LLM-MDQA.

Constrained Stein Variational Trajectory Optimization. (arXiv:2308.12110v2 [cs.RO] UPDATED)

Authors: Thomas Power, Dmitry Berenson

We present Constrained Stein Variational Trajectory Optimization (CSVTO), an algorithm for performing trajectory optimization with constraints on a set of trajectories in parallel. We frame constrained trajectory optimization as a novel form of constrained functional minimization over trajectory distributions, which avoids treating the constraints as a penalty in the objective and allows us to generate diverse sets of constraint-satisfying trajectories. Our method uses Stein Variational Gradient Descent (SVGD) to find a set of particles that approximates a distribution over low-cost trajectories while obeying constraints. CSVTO is applicable to problems with arbitrary equality and inequality constraints and includes a novel particle resampling step to escape local minima. By explicitly generating diverse sets of trajectories, CSVTO is better able to avoid poor local minima and is more robust to initialization. We demonstrate that CSVTO outperforms baselines in challenging highly-constrained tasks, such as a 7DoF wrench manipulation task, where CSVTO succeeds in 20/20 trials vs 13/20 for the closest baseline. Our results demonstrate that generating diverse constraint-satisfying trajectories improves robustness to disturbances and initialization over baselines.

Data-driven decision-focused surrogate modeling. (arXiv:2308.12161v2 [math.OC] UPDATED)

Authors: Rishabh Gupta, Qi Zhang

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex, surrogate optimization model that is trained to minimize the decision prediction error, which is defined as the difference between the optimal solutions of the original and the surrogate optimization models. The learning problem, formulated as a bilevel program, can be viewed as a data-driven inverse optimization problem to which we apply a decomposition-based solution algorithm from previous work. We validate our framework through numerical experiments involving the optimization of common nonlinear chemical processes such as chemical reactors, heat exchanger networks, and material blending systems. We also present a detailed comparison of decision-focused surrogate modeling with standard data-driven surrogate modeling methods and demonstrate that our approach is significantly more data-efficient while producing simple surrogate models with high decision prediction accuracy.

Enhancing Breast Cancer Histopathology Image Classification Using Dual-Activated Lightweight Attention ResNet50 Model. (arXiv:2308.13150v5 [eess.IV] UPDATED)

Authors: Suxing Liu

Despite the remarkable results of deep learning in breast cancer histopathology image classification, challenges such as data imbalance and interpretability still exist and require cross-domain knowledge and collaboration among medical experts. This study proposes a breast cancer classification method using a dual-activated lightweight attention ResNet50 model, effectively addressing data imbalance and interpretability challenges. The model fuses a pre-trained deep ResNet50 and a lightweight attention mechanism to accomplish classification by embedding an attention module in layer 4 of ResNet50 and adding two fully connected layers. The fully connected network design employs LeakyReLU and ReLU activation functions.

The model outperforms SEResNet50, DensNet121, VGG16, VGG16Inception, ViT, Swin- Transformer, Dinov2_Vitb14, and ResNet50 models regarding precision, accuracy, recall, F1 score, and GMean, especially in the application performance on the BreakHis dataset. In particular, the model demonstrates significant robustness and broad applicability when dealing with the unbalanced breast cancer dataset. The model has been evaluated on histopathology images at magnification factors of 40X, 100X, 200X, and 400X, achieving accuracies of 98.5%, 98.7%, 97.9%, and 94.3%, respectively. The study comprehensively assessed the model's performance. In the later stages of training, the validated losses and accuracies change minimally, showing that the model avoids overfitting and exhibits good generalization ability. This model exhibited the fastest convergence in all laboratory experiments, even though its parameters are not the smallest. This highlights the model's efficacy as a lightweight attention framework, showcasing its efficiency in achieving rapid convergence without compromising performance.

MedAlign: A Clinician-Generated Dataset for Instruction Following with Electronic Medical Records. (arXiv:2308.14089v2 [cs.CL] UPDATED)

Authors: Scott L. Fleming, Alejandro Lozano, William J. Haberkorn, Jenelle A. Jindal, Eduardo P. Reis, Rahul Thapa, Louis Blankemeier, Julian Z. Genkins, Ethan Steinberg, Ashwin Nayak, Birju S. Patel, Chia-Chun Chiang, Alison Callahan, Zepeng Huo, Sergios Gatidis, Scott J. Adams, Oluseyi Fayanju, Shreya J. Shah, Thomas Savage, Ethan Goh, Akshay S. Chaudhari, Nima Aghaeepour, Christopher Sharp, Michael A. Pfeffer, Percy Liang, Jonathan H. Chen, Keith E. Morse, Emma P. Brunskill, Jason A. Fries, Nigam H. Shah

The ability of large language models (LLMs) to follow natural language instructions with human-level fluency suggests many opportunities in healthcare to reduce administrative burden and improve quality of care. However, evaluating LLMs on realistic text generation tasks for healthcare remains challenging. Existing question answering datasets for electronic health record (EHR) data fail to capture the complexity of information needs and documentation burdens experienced by clinicians. To address these challenges, we introduce MedAlign, a benchmark dataset of 983 natural language instructions for EHR data. MedAlign is curated by 15 clinicians (7 specialities), includes clinician-written reference responses for 303 instructions, and provides 276 longitudinal EHRs for grounding instruction-response pairs. We used MedAlign to evaluate 6 general domain LLMs, having clinicians rank the accuracy and quality of each LLM response. We found high error rates, ranging from 35% (GPT-4) to 68% (MPT-7B-Instruct), and an 8.3% drop in accuracy moving from 32k to 2k context lengths for GPT-4. Finally, we report correlations between clinician rankings and automated natural language generation metrics as a way to rank LLMs without human review. We make MedAlign available under a research data use agreement to enable LLM evaluations on tasks aligned with clinician needs and preferences.

Recent Progress in Energy Management of Connected Hybrid Electric Vehicles Using Reinforcement Learning. (arXiv:2308.14602v2 [eess.SY] UPDATED)

Authors: Min Hua, Bin Shuai, Quan Zhou, Jinhai Wang, Yinglong He, Hongming Xu

The growing adoption of hybrid electric vehicles (HEVs) presents a transformative opportunity for revolutionizing transportation energy systems. The shift towards electrifying transportation aims to curb environmental concerns related to fossil fuel consumption. This necessitates efficient energy management systems (EMS) to optimize energy efficiency. The evolution of EMS from HEVs to connected hybrid electric vehicles (CHEVs) represent a pivotal shift. For HEVs, EMS now confronts the intricate energy cooperation requirements of CHEVs, necessitating advanced algorithms for route optimization, charging coordination, and load distribution. Challenges persist in both domains, including optimal energy utilization for HEVs, and cooperative eco-driving control (CED) for CHEVs across diverse vehicle types. Reinforcement learning (RL) stands out as a promising tool for addressing these challenges. Specifically, within the realm of CHEVs, the application of multi-agent reinforcement learning (MARL) emerges as a powerful approach for effectively tackling the intricacies of CED control. Despite extensive research, few reviews span from individual vehicles to multi-vehicle scenarios. This review bridges the gap, highlighting challenges, advancements, and potential contributions of RL-based solutions for future sustainable transportation systems.

AdaPlus: Integrating Nesterov Momentum and Precise Stepsize Adjustment on AdamW Basis. (arXiv:2309.01966v2 [cs.LG] UPDATED)

Authors: Lei Guan

This paper proposes an efficient optimizer called AdaPlus which integrates Nesterov momentum and precise stepsize adjustment on AdamW basis. AdaPlus combines the advantages of AdamW, Nadam, and AdaBelief and, in particular, does not introduce any extra hyper-parameters. We perform extensive experimental evaluations on three machine learning tasks to validate the effectiveness of AdaPlus. The experiment results validate that AdaPlus (i) among all the evaluated adaptive methods, performs most comparable with (even slightly better than) SGD with momentum on image classification tasks and (ii) outperforms other state-of-the-art optimizers on language modeling tasks and illustrates pretty high stability when training GANs. The experiment code of AdaPlus will be accessible at: https://github.com/guanleics/AdaPlus.

Beta Diffusion. (arXiv:2309.07867v4 [cs.LG] UPDATED)

Authors: Mingyuan Zhou, Tianqi Chen, Zhendong Wang, Huangjie Zheng

We introduce beta diffusion, a novel generative modeling method that integrates demasking and denoising to generate data within bounded ranges. Using scaled and shifted beta distributions, beta diffusion utilizes multiplicative transitions over time to create both forward and reverse diffusion processes, maintaining beta distributions in both the forward marginals and the reverse conditionals, given the data at any point in time. Unlike traditional diffusion-based generative models relying on additive Gaussian noise and reweighted evidence lower bounds (ELBOs), beta diffusion is multiplicative and optimized with KL-divergence upper bounds (KLUBs) derived from the convexity of the KL divergence. We demonstrate that the proposed KLUBs are more effective for optimizing beta diffusion compared to negative ELBOs, which can also be derived as the KLUBs of the same KL divergence with its two arguments swapped. The loss function of beta diffusion, expressed in terms of Bregman divergence, further supports the efficacy of KLUBs for optimization. Experimental results on both synthetic data and natural images demonstrate the unique capabilities of beta diffusion in generative modeling of range-bounded data and validate the effectiveness of KLUBs in optimizing diffusion models, thereby making them valuable additions to the family of diffusion-based generative models and the optimization techniques used to train them.

Sparsity-Aware Distributed Learning for Gaussian Processes with Linear Multiple Kernel. (arXiv:2309.08201v2 [cs.LG] UPDATED)

Authors: Richard Cornelius Suwandi, Zhidi Lin, Feng Yin, Zhiguo Wang, Sergios Theodoridis

Gaussian processes (GPs) stand as crucial tools in machine learning and signal processing, with their effectiveness hinging on kernel design and hyper-parameter optimization. This paper presents a novel GP linear multiple kernel (LMK) and a generic sparsity-aware distributed learning framework to optimize the hyper-parameters. The newly proposed grid spectral mixture (GSM) kernel is tailored for multi-dimensional data, effectively reducing the number of hyper-parameters while maintaining good approximation capabilities. We further demonstrate that the associated hyper-parameter optimization of this kernel yields sparse solutions. To exploit the inherent sparsity property of the solutions, we introduce the Sparse LInear Multiple Kernel Learning (SLIM-KL) framework. The framework incorporates a quantized alternating direction method of multipliers (ADMM) scheme for collaborative learning among multiple agents, where the local optimization problem is solved using a distributed successive convex approximation (DSCA) algorithm. SLIM-KL effectively manages large-scale hyper-parameter optimization for the proposed kernel, simultaneously ensuring data privacy and minimizing communication costs. Theoretical analysis establishes convergence guarantees for the learning framework, while experiments on diverse datasets demonstrate the superior prediction performance and efficiency of our proposed methods.

FedDCSR: Federated Cross-domain Sequential Recommendation via Disentangled Representation Learning. (arXiv:2309.08420v5 [cs.LG] UPDATED)

Authors: Hongyu Zhang, Dongyi Zheng, Xu Yang, Jiyuan Feng, Qing Liao

Cross-domain Sequential Recommendation (CSR) which leverages user sequence data from multiple domains has received extensive attention in recent years. However, the existing CSR methods require sharing origin user data across domains, which violates the General Data Protection Regulation (GDPR). Thus, it is necessary to combine federated learning (FL) and CSR to fully utilize knowledge from different domains while preserving data privacy. Nonetheless, the sequence feature heterogeneity across different domains significantly impacts the overall performance of FL. In this paper, we propose FedDCSR, a novel federated cross-domain sequential recommendation framework via disentangled representation learning. Specifically, to address the sequence feature heterogeneity across domains, we introduce an approach called inter-intra domain sequence representation disentanglement (SRD) to disentangle the user sequence features into domain-shared and domain-exclusive features. In addition, we design an intra domain contrastive infomax (CIM) strategy to learn richer domain-exclusive features of users by performing data augmentation on user sequences. Extensive experiments on three real-world scenarios demonstrate that FedDCSR achieves significant improvements over existing baselines.

Deep Knowledge Tracing is an implicit dynamic multidimensional item response theory model. (arXiv:2309.12334v3 [cs.CY] UPDATED)

Authors: Jill-Jênn Vie (SODA), Hisashi Kashima

Knowledge tracing consists in predicting the performance of some students on new questions given their performance on previous questions, and can be a prior step to optimizing assessment and learning. Deep knowledge tracing (DKT) is a competitive model for knowledge tracing relying on recurrent neural networks, even if some simpler models may match its performance. However, little is known about why DKT works so well. In this paper, we frame deep knowledge tracing as a encoderdecoder architecture. This viewpoint not only allows us to propose better models in terms of performance, simplicity or expressivity but also opens up promising avenues for future research directions. In particular, we show on several small and large datasets that a simpler decoder, with possibly fewer parameters than the one used by DKT, can predict student performance better.

Physics of Language Models: Part 3.1, Knowledge Storage and Extraction. (arXiv:2309.14316v2 [cs.CL] UPDATED)

Authors: Zeyuan Allen-Zhu, Yuanzhi Li

Large language models (LLMs) can store a vast amount of world knowledge, often extractable via question-answering (e.g., "What is Abraham Lincoln's birthday?"). However, do they answer such questions based on exposure to similar questions during training (i.e., cheating), or by genuinely learning to extract knowledge from sources like Wikipedia?

In this paper, we investigate this issue using a controlled biography dataset. We find a strong correlation between the model's ability to extract knowledge and various diversity measures of the training data. $\textbf{Essentially}$, for knowledge to be reliably extracted, it must be sufficiently augmented (e.g., through paraphrasing, sentence shuffling) $\textit{during pretraining}$. Without such augmentation, knowledge may be memorized but not extractable, leading to 0% accuracy, regardless of subsequent instruction fine-tuning.

To understand why this occurs, we employ (nearly) linear probing to demonstrate a strong connection between the observed correlation and how the model internally encodes knowledge -- whether it is linearly encoded in the hidden embeddings of entity names or distributed across other token embeddings in the training text.

This paper provides $\textbf{several key recommendations for LLM pretraining in the industry}$: (1) rewrite the pretraining data -- using small, auxiliary models -- to provide knowledge augmentation, and (2) incorporate more instruction-finetuning data into the pretraining stage before it becomes too late.

Recurrent Hypernetworks are Surprisingly Strong in Meta-RL. (arXiv:2309.14970v4 [cs.LG] UPDATED)

Authors: Jacob Beck, Risto Vuorio, Zheng Xiong, Shimon Whiteson

Deep reinforcement learning (RL) is notoriously impractical to deploy due to sample inefficiency. Meta-RL directly addresses this sample inefficiency by learning to perform few-shot learning when a distribution of related tasks is available for meta-training. While many specialized meta-RL methods have been proposed, recent work suggests that end-to-end learning in conjunction with an off-the-shelf sequential model, such as a recurrent network, is a surprisingly strong baseline. However, such claims have been controversial due to limited supporting evidence, particularly in the face of prior work establishing precisely the opposite. In this paper, we conduct an empirical investigation. While we likewise find that a recurrent network can achieve strong performance, we demonstrate that the use of hypernetworks is crucial to maximizing their potential. Surprisingly, when combined with hypernetworks, the recurrent baselines that are far simpler than existing specialized methods actually achieve the strongest performance of all methods evaluated. We provide code at https://github.com/jacooba/hyper.

Bayesian Design Principles for Frequentist Sequential Learning. (arXiv:2310.00806v3 [cs.LG] UPDATED)

Authors: Yunbei Xu, Assaf Zeevi

We develop a general theory to optimize the frequentist regret for sequential learning problems, where efficient bandit and reinforcement learning algorithms can be derived from unified Bayesian principles. We propose a novel optimization approach to generate "algorithmic beliefs" at each round, and use Bayesian posteriors to make decisions. The optimization objective to create "algorithmic beliefs," which we term "Algorithmic Information Ratio," represents an intrinsic complexity measure that effectively characterizes the frequentist regret of any algorithm. To the best of our knowledge, this is the first systematical approach to make Bayesian-type algorithms prior-free and applicable to adversarial settings, in a generic and optimal manner. Moreover, the algorithms are simple and often efficient to implement. As a major application, we present a novel algorithm for multi-armed bandits that achieves the "best-of-all-worlds" empirical performance in the stochastic, adversarial, and non-stationary environments. And we illustrate how these principles can be used in linear bandits, bandit convex optimization, and reinforcement learning.

SeisT: A foundational deep learning model for earthquake monitoring tasks. (arXiv:2310.01037v3 [physics.geo-ph] UPDATED)

Authors: Sen Li, Xu Yang, Anye Cao, Changbin Wang, Yaoqi Liu, Yapeng Liu, Qiang Niu

Seismograms, the fundamental seismic records, have revolutionized earthquake research and monitoring. Recent advancements in deep learning have further enhanced seismic signal processing, leading to even more precise and effective earthquake monitoring capabilities. This paper introduces a foundational deep learning model, the Seismogram Transformer (SeisT), designed for a variety of earthquake monitoring tasks. SeisT combines multiple modules tailored to different tasks and exhibits impressive out-of-distribution generalization performance, outperforming or matching state-of-the-art models in tasks like earthquake detection, seismic phase picking, first-motion polarity classification, magnitude estimation, back-azimuth estimation, and epicentral distance estimation. The performance scores on the tasks are 0.96, 0.96, 0.68, 0.95, 0.86, 0.55, and 0.81, respectively. The most significant improvements, in comparison to existing models, are observed in phase-P picking, phase-S picking, and magnitude estimation, with gains of 1.7%, 9.5%, and 8.0%, respectively. Our study, through rigorous experiments and evaluations, suggests that SeisT has the potential to contribute to the advancement of seismic signal processing and earthquake research.

Iterative Option Discovery for Planning, by Planning. (arXiv:2310.01569v2 [cs.AI] UPDATED)

Authors: Kenny Young, Richard S. Sutton

Discovering useful temporal abstractions, in the form of options, is widely thought to be key to applying reinforcement learning and planning to increasingly complex domains. Building on the empirical success of the Expert Iteration approach to policy learning used in AlphaZero, we propose Option Iteration, an analogous approach to option discovery. Rather than learning a single strong policy that is trained to match the search results everywhere, Option Iteration learns a set of option policies trained such that for each state encountered, at least one policy in the set matches the search results for some horizon into the future. Intuitively, this may be significantly easier as it allows the algorithm to hedge its bets compared to learning a single globally strong policy, which may have complex dependencies on the details of the current state. Having learned such a set of locally strong policies, we can use them to guide the search algorithm resulting in a virtuous cycle where better options lead to better search results which allows for training of better options. We demonstrate experimentally that planning using options learned with Option Iteration leads to a significant benefit in challenging planning environments compared to an analogous planning algorithm operating in the space of primitive actions and learning a single rollout policy with Expert Iteration.

Enhancing Accuracy in Deep Learning Using Random Matrix Theory. (arXiv:2310.03165v2 [cs.LG] UPDATED)

Authors: Leonid Berlyand, Etienne Sandier, Yitzchak Shmalo, Lei Zhang

We explore the applications of random matrix theory (RMT) in the training of deep neural networks (DNNs), focusing on layer pruning that is reducing the number of DNN parameters (weights). Our numerical results show that this pruning leads to a drastic reduction of parameters while not reducing the accuracy of DNNs and CNNs. Moreover, pruning the fully connected DNNs actually increases the accuracy and decreases the variance for random initializations. Our numerics indicate that this enhancement in accuracy is due to the simplification of the loss landscape. We next provide rigorous mathematical underpinning of these numerical results by proving the RMT-based Pruning Theorem. Our results offer valuable insights into the practical application of RMT for the creation of more efficient and accurate deep-learning models.

Latent Diffusion Model for DNA Sequence Generation. (arXiv:2310.06150v2 [cs.LG] UPDATED)

Authors: Zehui Li, Yuhao Ni, Tim August B. Huygelen, Akashaditya Das, Guoxuan Xia, Guy-Bart Stan, Yiren Zhao

The harnessing of machine learning, especially deep generative models, has opened up promising avenues in the field of synthetic DNA sequence generation. Whilst Generative Adversarial Networks (GANs) have gained traction for this application, they often face issues such as limited sample diversity and mode collapse. On the other hand, Diffusion Models are a promising new class of generative models that are not burdened with these problems, enabling them to reach the state-of-the-art in domains such as image generation. In light of this, we propose a novel latent diffusion model, DiscDiff, tailored for discrete DNA sequence generation. By simply embedding discrete DNA sequences into a continuous latent space using an autoencoder, we are able to leverage the powerful generative abilities of continuous diffusion models for the generation of discrete data. Additionally, we introduce Fr\'echet Reconstruction Distance (FReD) as a new metric to measure the sample quality of DNA sequence generations. Our DiscDiff model demonstrates an ability to generate synthetic DNA sequences that align closely with real DNA in terms of Motif Distribution, Latent Embedding Distribution (FReD), and Chromatin Profiles. Additionally, we contribute a comprehensive cross-species dataset of 150K unique promoter-gene sequences from 15 species, enriching resources for future generative modelling in genomics. We will make our code public upon publication.

Can We Edit Multimodal Large Language Models?. (arXiv:2310.08475v3 [cs.CL] UPDATED)

Authors: Siyuan Cheng, Bozhong Tian, Qingbin Liu, Xi Chen, Yongheng Wang, Huajun Chen, Ningyu Zhang

In this paper, we focus on editing Multimodal Large Language Models (MLLMs). Compared to editing single-modal LLMs, multimodal model editing is more challenging, which demands a higher level of scrutiny and careful consideration in the editing process. To facilitate research in this area, we construct a new benchmark, dubbed MMEdit, for editing multimodal LLMs and establishing a suite of innovative metrics for evaluation. We conduct comprehensive experiments involving various model editing baselines and analyze the impact of editing different components for multimodal LLMs. Empirically, we notice that previous baselines can implement editing multimodal LLMs to some extent, but the effect is still barely satisfactory, indicating the potential difficulty of this task. We hope that our work can provide the NLP community with insights. Code and dataset are available in https://github.com/zjunlp/EasyEdit.

Improving Generalization of Alignment with Human Preferences through Group Invariant Learning. (arXiv:2310.11971v3 [cs.LG] UPDATED)

Authors: Rui Zheng, Wei Shen, Yuan Hua, Wenbin Lai, Shihan Dou, Yuhao Zhou, Zhiheng Xi, Xiao Wang, Haoran Huang, Tao Gui, Qi Zhang, Xuanjing Huang

The success of AI assistants based on language models (LLMs) hinges crucially on Reinforcement Learning from Human Feedback (RLHF), which enables the generation of responses more aligned with human preferences. As universal AI assistants, there's a growing expectation for them to perform consistently across various domains. However, previous work shows that Reinforcement Learning (RL) often exploits shortcuts to attain high rewards and overlooks challenging samples. This focus on quick reward gains undermines both the stability in training and the model's ability to generalize to new, unseen data. In this work, we propose a novel approach that can learn a consistent policy via RL across various data groups or domains. Given the challenges associated with acquiring group annotations, our method automatically classifies data into different groups, deliberately maximizing performance variance. Then, we optimize the policy to perform well on challenging groups. Lastly, leveraging the established groups, our approach adaptively adjusts the exploration space, allocating more learning capacity to more challenging data and preventing the model from over-optimizing on simpler data. Experimental results indicate that our approach significantly enhances training stability and model generalization.

Information-Theoretic Generalization Analysis for Topology-aware Heterogeneous Federated Edge Learning over Noisy Channels. (arXiv:2310.16407v3 [cs.IT] UPDATED)

Authors: Zheshun Wu, Zenglin Xu, Hongfang Yu, Jie Liu

With the rapid growth of edge intelligence, the deployment of federated learning (FL) over wireless networks has garnered increasing attention, which is called Federated Edge Learning (FEEL). In FEEL, both mobile devices transmitting model parameters over noisy channels and collecting data in diverse environments pose challenges to the generalization of trained models. Moreover, devices can engage in decentralized FL via Device-to-Device communication while the communication topology of connected devices also impacts the generalization of models. Most recent theoretical studies overlook the incorporation of all these effects into FEEL when developing generalization analyses. In contrast, our work presents an information-theoretic generalization analysis for topology-aware FEEL in the presence of data heterogeneity and noisy channels. Additionally, we propose a novel regularization method called Federated Global Mutual Information Reduction (FedGMIR) to enhance the performance of models based on our analysis. Numerical results validate our theoretical findings and provide evidence for the effectiveness of the proposed method.

Unsupervised Domain Adaptation for Semantic Segmentation with Pseudo Label Self-Refinement. (arXiv:2310.16979v2 [cs.CV] UPDATED)

Authors: Xingchen Zhao, Niluthpol Chowdhury Mithun, Abhinav Rajvanshi, Han-Pang Chiu, Supun Samarasekera

Deep learning-based solutions for semantic segmentation suffer from significant performance degradation when tested on data with different characteristics than what was used during the training. Adapting the models using annotated data from the new domain is not always practical. Unsupervised Domain Adaptation (UDA) approaches are crucial in deploying these models in the actual operating conditions. Recent state-of-the-art (SOTA) UDA methods employ a teacher-student self-training approach, where a teacher model is used to generate pseudo-labels for the new data which in turn guide the training process of the student model. Though this approach has seen a lot of success, it suffers from the issue of noisy pseudo-labels being propagated in the training process. To address this issue, we propose an auxiliary pseudo-label refinement network (PRN) for online refining of the pseudo labels and also localizing the pixels whose predicted labels are likely to be noisy. Being able to improve the quality of pseudo labels and select highly reliable ones, PRN helps self-training of segmentation models to be robust against pseudo label noise propagation during different stages of adaptation. We evaluate our approach on benchmark datasets with three different domain shifts, and our approach consistently performs significantly better than the previous state-of-the-art methods.

Multimodal and Force-Matched Imitation Learning with a See-Through Visuotactile Sensor. (arXiv:2311.01248v2 [cs.RO] UPDATED)

Authors: Trevor Ablett, Oliver Limoyo, Adam Sigal, Affan Jilani, Jonathan Kelly, Kaleem Siddiqi, Francois Hogan, Gregory Dudek

Kinesthetic Teaching is a popular approach to collecting expert robotic demonstrations of contact-rich tasks for imitation learning (IL), but it typically only measures motion, ignoring the force placed on the environment by the robot. Furthermore, contact-rich tasks require accurate sensing of both reaching and touching, which can be difficult to provide with conventional sensing modalities. We address these challenges with a See-Through-your-Skin (STS) visuotactile sensor, using the sensor both (i) as a measurement tool to improve kinesthetic teaching, and (ii) as a policy input in contact-rich door manipulation tasks. An STS sensor can be switched between visual and tactile modes by leveraging a semi-transparent surface and controllable lighting, allowing for both pre-contact visual sensing and during-contact tactile sensing with a single sensor. First, we propose tactile force matching, a methodology that enables a robot to match forces read during kinesthetic teaching using tactile signals. Second, we develop a policy that controls STS mode switching, allowing a policy to learn the appropriate moment to switch an STS from its visual to its tactile mode. Finally, we study multiple observation configurations to compare and contrast the value of visual and tactile data from an STS with visual data from a wrist-mounted eye-in-hand camera. With over 3,000 test episodes from real-world manipulation experiments, we find that the inclusion of force matching raises average policy success rates by 62.5%, STS mode switching by 30.3%, and STS data as a policy input by 42.5%. Our results highlight the utility of see-through tactile sensing for IL, both for data collection to allow force matching, and for policy execution to allow accurate task feedback.

Learning to Augment Distributions for Out-of-Distribution Detection. (arXiv:2311.01796v2 [cs.LG] UPDATED)

Authors: Qizhou Wang, Zhen Fang, Yonggang Zhang, Feng Liu, Yixuan Li, Bo Han

Open-world classification systems should discern out-of-distribution (OOD) data whose labels deviate from those of in-distribution (ID) cases, motivating recent studies in OOD detection. Advanced works, despite their promising progress, may still fail in the open world, owing to the lack of knowledge about unseen OOD data in advance. Although one can access auxiliary OOD data (distinct from unseen ones) for model training, it remains to analyze how such auxiliary data will work in the open world. To this end, we delve into such a problem from a learning theory perspective, finding that the distribution discrepancy between the auxiliary and the unseen real OOD data is the key to affecting the open-world detection performance. Accordingly, we propose Distributional-Augmented OOD Learning (DAL), alleviating the OOD distribution discrepancy by crafting an OOD distribution set that contains all distributions in a Wasserstein ball centered on the auxiliary OOD distribution. We justify that the predictor trained over the worst OOD data in the ball can shrink the OOD distribution discrepancy, thus improving the open-world detection performance given only the auxiliary OOD data. We conduct extensive evaluations across representative OOD detection setups, demonstrating the superiority of our DAL over its advanced counterparts.

Auto deep learning for bioacoustic signals. (arXiv:2311.04945v2 [cs.LG] UPDATED)

Authors: Giulio Tosato, Abdelrahman Shehata, Joshua Janssen, Kees Kamp, Pramatya Jati, Dan Stowell

This study investigates the potential of automated deep learning to enhance the accuracy and efficiency of multi-class classification of bird vocalizations, compared against traditional manually-designed deep learning models. Using the Western Mediterranean Wetland Birds dataset, we investigated the use of AutoKeras, an automated machine learning framework, to automate neural architecture search and hyperparameter tuning. Comparative analysis validates our hypothesis that the AutoKeras-derived model consistently outperforms traditional models like MobileNet, ResNet50 and VGG16. Our approach and findings underscore the transformative potential of automated deep learning for advancing bioacoustics research and models. In fact, the automated techniques eliminate the need for manual feature engineering and model design while improving performance. This study illuminates best practices in sampling, evaluation and reporting to enhance reproducibility in this nascent field. All the code used is available at https: //github.com/giuliotosato/AutoKeras-bioacustic

Keywords: AutoKeras; automated deep learning; audio classification; Wetlands Bird dataset; comparative analysis; bioacoustics; validation dataset; multi-class classification; spectrograms.

Choose Your Simulator Wisely: A Review on Open-source Simulators for Autonomous Driving. (arXiv:2311.11056v2 [cs.RO] UPDATED)

Authors: Yueyuan Li, Wei Yuan, Songan Zhang, Weihao Yan, Qiyuan Shen, Chunxiang Wang, Ming Yang

Simulators play a crucial role in autonomous driving, offering significant time, cost, and labor savings. Over the past few years, the number of simulators for autonomous driving has grown substantially. However, there is a growing concern about the validity of algorithms developed and evaluated in simulators, indicating a need for a thorough analysis of the development status of the simulators.

To bridge the gap in research, this paper analyzes the evolution of simulators and explains how the functionalities and utilities have developed. Then, the existing simulators are categorized based on their task applicability, providing researchers with a taxonomy to swiftly assess a simulator's suitability for specific tasks. Recommendations for select simulators are presented, considering factors such as accessibility, maintenance status, and quality. Recognizing potential hazards in simulators that could impact the confidence of simulation experiments, the paper dedicates substantial effort to identifying and justifying critical issues in actively maintained open-source simulators. Moreover, the paper reviews potential solutions to address these issues, serving as a guide for enhancing the credibility of simulators.

Benchmarking Machine Learning Models for Quantum Error Correction. (arXiv:2311.11167v2 [quant-ph] UPDATED)

Authors: Tim Fu, Yue Zhao

Quantum Error Correction (QEC) is one of the fundamental problems in quantum computer systems, which aims to detect and correct errors in the data qubits within quantum computers. Due to the presence of unreliable data qubits in existing quantum computers, implementing quantum error correction is a critical step when establishing a stable quantum computer system. Recently, machine learning (ML)-based approaches have been proposed to address this challenge. However, they lack a thorough understanding of quantum error correction. To bridge this research gap, we provide a new perspective to understand machine learning-based QEC in this paper. We find that syndromes in the ancilla qubits result from errors on connected data qubits, and distant ancilla qubits can provide auxiliary information to rule out some incorrect predictions for the data qubits. Therefore, to detect errors in data qubits, we must consider the information present in the long-range ancilla qubits. To the best of our knowledge, machine learning is less explored in the dependency relationship of QEC. To fill the blank, we curate a machine learning benchmark to assess the capacity to capture long-range dependencies for quantum error correction. To provide a comprehensive evaluation, we evaluate seven state-of-the-art deep learning algorithms spanning diverse neural network architectures, such as convolutional neural networks, graph neural networks, and graph transformers. Our exhaustive experiments reveal an enlightening trend: By enlarging the receptive field to exploit information from distant ancilla qubits, the accuracy of QEC significantly improves. For instance, U-Net can improve CNN by a margin of about 50%. Finally, we provide a comprehensive analysis that could inspire future research in this field.

Testing multivariate normality by testing independence. (arXiv:2311.11575v2 [stat.ME] UPDATED)

Authors: Povilas Daniušis

We propose a simple multivariate normality test based on Kac-Bernstein's characterization, which can be conducted by utilising existing statistical independence tests for sums and differences of data samples. We also perform its empirical investigation, which reveals that for high-dimensional data, the proposed approach may be more efficient than the alternative ones. The accompanying code repository is provided at \url{https://shorturl.at/rtuy5}.

Nav-Q: Quantum Deep Reinforcement Learning for Collision-Free Navigation of Self-Driving Cars. (arXiv:2311.12875v2 [quant-ph] UPDATED)

Authors: Akash Sinha, Antonio Macaluso, Matthias Klusch

The task of collision-free navigation (CFN) of self-driving cars is an NP-hard problem usually tackled using Deep Reinforcement Learning (DRL). While DRL methods have proven to be effective, their implementation requires substantial computing resources and extended training periods to develop a robust agent. On the other hand, quantum reinforcement learning has recently demonstrated faster convergence and improved stability in simple, non-real-world environments.

In this work, we propose Nav-Q, the first quantum-supported DRL algorithm for CFN of self-driving cars, that leverages quantum computation for improving the training performance without the requirement for onboard quantum hardware. Nav-Q is based on the actor-critic approach, where the critic is implemented using a hybrid quantum-classical algorithm suitable for near-term quantum devices. We assess the performance of Nav-Q using the CARLA driving simulator, a de facto standard benchmark for evaluating state-of-the-art DRL methods. Our empirical evaluations showcase that Nav-Q surpasses its classical counterpart in terms of training stability and, in certain instances, with respect to the convergence rate. Furthermore, we assess Nav-Q in relation to effective dimension, unveiling that the incorporation of a quantum component results in a model with greater descriptive power compared to classical baselines. Finally, we evaluate the performance of Nav-Q using noisy quantum simulation, observing that the quantum noise deteriorates the training performances but enhances the exploratory tendencies of the agent during training.

Look Before You Leap: Unveiling the Power of GPT-4V in Robotic Vision-Language Planning. (arXiv:2311.17842v2 [cs.RO] UPDATED)

Authors: Yingdong Hu, Fanqi Lin, Tong Zhang, Li Yi, Yang Gao

In this study, we are interested in imbuing robots with the capability of physically-grounded task planning. Recent advancements have shown that large language models (LLMs) possess extensive knowledge useful in robotic tasks, especially in reasoning and planning. However, LLMs are constrained by their lack of world grounding and dependence on external affordance models to perceive environmental information, which cannot jointly reason with LLMs. We argue that a task planner should be an inherently grounded, unified multimodal system. To this end, we introduce Robotic Vision-Language Planning (ViLa), a novel approach for long-horizon robotic planning that leverages vision-language models (VLMs) to generate a sequence of actionable steps. ViLa directly integrates perceptual data into its reasoning and planning process, enabling a profound understanding of commonsense knowledge in the visual world, including spatial layouts and object attributes. It also supports flexible multimodal goal specification and naturally incorporates visual feedback. Our extensive evaluation, conducted in both real-robot and simulated environments, demonstrates ViLa's superiority over existing LLM-based planners, highlighting its effectiveness in a wide array of open-world manipulation tasks.

Hashmarks: Privacy-Preserving Benchmarks for High-Stakes AI Evaluation. (arXiv:2312.00645v2 [cs.LG] UPDATED)

Authors: Paul Bricman

There is a growing need to gain insight into language model capabilities that relate to sensitive topics, such as bioterrorism or cyberwarfare. However, traditional open source benchmarks are not fit for the task, due to the associated practice of publishing the correct answers in human-readable form. At the same time, enforcing mandatory closed-quarters evaluations might stifle development and erode trust. In this context, we propose hashmarking, a protocol for evaluating language models in the open without having to disclose the correct answers. In its simplest form, a hashmark is a benchmark whose reference solutions have been cryptographically hashed prior to publication. Following an overview of the proposed evaluation protocol, we go on to assess its resilience against traditional attack vectors (e.g. rainbow table attacks), as well as against failure modes unique to increasingly capable generative models.

Jellyfish: A Large Language Model for Data Preprocessing. (arXiv:2312.01678v3 [cs.AI] UPDATED)

Authors: Haochen Zhang, Yuyang Dong, Chuan Xiao, Masafumi Oyamada

In this paper, we present Jellyfish, an open-source LLM as a universal task solver for DP. Built on the Llama 2 13B model, Jellyfish is instruction-tuned with the datasets of several typical DP tasks including error detection, data imputation, schema matching, and entity matching, and delivers generalizability to other tasks. Remarkably, Jellyfish can operate on a local, single, and low-priced GPU with its 13 billion parameters, ensuring data security and enabling further tuning. Its proficiency in understanding natural language allows users to manually craft instructions for DP tasks. Unlike many existing methods that heavily rely on prior knowledge, Jellyfish acquires domain knowledge during its tuning process and integrates optional knowledge injection during inference. A distinctive feature of Jellyfish is its interpreter, which elucidates its output decisions. To construct Jellyfish, we develop a series of pre-tuning and DP-tuning techniques. Jellyfish is equipped with an instance serializer, which automatically translates raw data into model prompts, and a knowledge injector, which optionally introduces task- and dataset-specific knowledge to enhance DP performance. Our evaluation of Jellyfish, using a range of real datasets, shows its competitiveness compared to state-of-the-art methods and its strong generalizability to unseen tasks. Jellyfish's performance rivals that of GPT series models, and its interpreter offers enhanced reasoning capabilities compared to GPT-3.5. Furthermore, our evaluation highlights the effectiveness of the techniques employed in constructing Jellyfish. Our model is available at Hugging Face: https://huggingface.co/NECOUDBFM/Jellyfish .

SAMSGL: Series-Aligned Multi-Scale Graph Learning for Spatio-Temporal Forecasting. (arXiv:2312.02646v2 [cs.LG] UPDATED)

Authors: Xiaobei Zou, Luolin Xiong, Yang Tang, Jurgen Kurths

Spatio-temporal forecasting in various domains, like traffic prediction and weather forecasting, is a challenging endeavor, primarily due to the difficulties in modeling propagation dynamics and capturing high-dimensional interactions among nodes. Despite the significant strides made by graph-based networks in spatio-temporal forecasting, there remain two pivotal factors closely related to forecasting performance that need further consideration: time delays in propagation dynamics and multi-scale high-dimensional interactions. In this work, we present a Series-Aligned Multi-Scale Graph Learning (SAMSGL) framework, aiming to enhance forecasting performance. In order to handle time delays in spatial interactions, we propose a series-aligned graph convolution layer to facilitate the aggregation of non-delayed graph signals, thereby mitigating the influence of time delays for the improvement in accuracy. To understand global and local spatio-temporal interactions, we develop a spatio-temporal architecture via multi-scale graph learning, which encompasses two essential components: multi-scale graph structure learning and graph-fully connected (Graph-FC) blocks. The multi-scale graph structure learning includes a global graph structure to learn both delayed and non-delayed node embeddings, as well as a local one to learn node variations influenced by neighboring factors. The Graph-FC blocks synergistically fuse spatial and temporal information to boost prediction accuracy. To evaluate the performance of SAMSGL, we conduct experiments on meteorological and traffic forecasting datasets, which demonstrate its effectiveness and superiority.

Constrained Bayesian Optimization Under Partial Observations: Balanced Improvements and Provable Convergence. (arXiv:2312.03212v2 [cs.LG] UPDATED)

Authors: Shengbo Wang, Ke Li

The partially observable constrained optimization problems (POCOPs) impede data-driven optimization techniques since an infeasible solution of POCOPs can provide little information about the objective as well as the constraints. We endeavor to design an efficient and provable method for expensive POCOPs under the framework of constrained Bayesian optimization. Our method consists of two key components. Firstly, we present an improved design of the acquisition functions that introduces balanced exploration during optimization. We rigorously study the convergence properties of this design to demonstrate its effectiveness. Secondly, we propose a Gaussian process embedding different likelihoods as the surrogate model for a partially observable constraint. This model leads to a more accurate representation of the feasible regions compared to traditional classification-based models. Our proposed method is empirically studied on both synthetic and real-world problems. The results demonstrate the competitiveness of our method for solving POCOPs.

FAGC:Feature Augmentation on Geodesic Curve in the Pre-Shape Space. (arXiv:2312.03325v3 [cs.CV] UPDATED)

Authors: Yuexing Han, Guanxin Wan, Bing Wang

Deep learning has yielded remarkable outcomes in various domains. However, the challenge of requiring large-scale labeled samples still persists in deep learning. Thus, data augmentation has been introduced as a critical strategy to train deep learning models. However, data augmentation suffers from information loss and poor performance in small sample environments. To overcome these drawbacks, we propose a feature augmentation method based on shape space theory, i.e., feature augmentation on Geodesic curve, called FAGC in brevity.First, we extract features from the image with the neural network model. Then, the multiple image features are projected into a pre-shape space as features. In the pre-shape space, a Geodesic curve is built to fit the features. Finally, the many generated features on the Geodesic curve are used to train the various machine learning models. The FAGC module can be seamlessly integrated with most machine learning methods. And the proposed method is simple, effective and insensitive for the small sample datasets.Several examples demonstrate that the FAGC method can greatly improve the performance of the data preprocessing model in a small sample environment.

Bridging the Gaps: Learning Verifiable Model-Free Quadratic Programming Controllers Inspired by Model Predictive Control. (arXiv:2312.05332v2 [eess.SY] UPDATED)

Authors: Yiwen Lu, Zishuo Li, Yihan Zhou, Na Li, Yilin Mo

In this paper, we introduce a new class of parameterized controllers, drawing inspiration from Model Predictive Control (MPC). The controller resembles a Quadratic Programming (QP) solver of a linear MPC problem, with the parameters of the controller being trained via Deep Reinforcement Learning (DRL) rather than derived from system models. This approach addresses the limitations of common controllers with Multi-Layer Perceptron (MLP) or other general neural network architecture used in DRL, in terms of verifiability and performance guarantees, and the learned controllers possess verifiable properties like persistent feasibility and asymptotic stability akin to MPC. On the other hand, numerical examples illustrate that the proposed controller empirically matches MPC and MLP controllers in terms of control performance and has superior robustness against modeling uncertainty and noises. Furthermore, the proposed controller is significantly more computationally efficient compared to MPC and requires fewer parameters to learn than MLP controllers. Real-world experiments on vehicle drift maneuvering task demonstrate the potential of these controllers for robotics and other demanding control tasks.

Ensemble Kalman Filtering-Aided Variational Inference for Gaussian Process State-Space Models. (arXiv:2312.05910v2 [cs.LG] UPDATED)

Authors: Zhidi Lin, Yiyong Sun, Feng Yin, Alexandre Hoang Thiéry

Gaussian process state-space models (GPSSMs) are a flexible and principled approach for modeling dynamical systems. However, existing variational learning and inference methods for GPSSMs often necessitate optimizing a substantial number of variational distribution parameters, leading to inadequate performance and efficiency. To overcome this issue, we propose incorporating the ensemble Kalman filter (EnKF), a well-established model-based filtering technique, into the variational inference framework to approximate the posterior distribution of latent states. This utilization of EnKF can effectively exploit the dependencies between latent states and GP dynamics, while eliminating the need for parameterizing the variational distribution, thereby significantly reducing the number of variational parameters. Moreover, we show that our proposed algorithm allows straightforward evaluation of an approximated evidence lower bound (ELBO) in variational inference via simply summating multiple terms with readily available closed-form solutions. Leveraging automatic differentiation tools, we hence can maximize the ELBO and train the GPSSM efficiently. We also extend the proposed algorithm to an online setting and provide detailed algorithmic analyses and insights. Extensive evaluation on diverse real and synthetic datasets demonstrates the superiority of our EnKF-aided variational inference algorithms in terms of learning and inference performance compared to existing methods.

Randomized Physics-Informed Machine Learning for Uncertainty Quantification in High-Dimensional Inverse Problems. (arXiv:2312.06177v2 [cs.LG] UPDATED)

Authors: Yifei Zong, David Barajas-Solano, Alexandre M. Tartakovsky

We propose a physics-informed machine learning method for uncertainty quantification in high-dimensional inverse problems. In this method, the states and parameters of partial differential equations (PDEs) are approximated with truncated conditional Karhunen-Lo\`eve expansions (CKLEs), which, by construction, match the measurements of the respective variables. The maximum a posteriori (MAP) solution of the inverse problem is formulated as a minimization problem over CKLE coefficients where the loss function is the sum of the norm of PDE residuals and the $\ell_2$ regularization term. This MAP formulation is known as the physics-informed CKLE (PICKLE) method. Uncertainty in the inverse solution is quantified in terms of the posterior distribution of CKLE coefficients, and we sample the posterior by solving a randomized PICKLE minimization problem, formulated by adding zero-mean Gaussian perturbations in the PICKLE loss function. We call the proposed approach the randomized PICKLE (rPICKLE) method.

For linear and low-dimensional nonlinear problems (15 CKLE parameters), we show analytically and through comparison with Hamiltonian Monte Carlo (HMC) that the rPICKLE posterior converges to the true posterior given by the Bayes rule. For high-dimensional non-linear problems with 2000 CKLE parameters, we numerically demonstrate that rPICKLE posteriors are highly informative--they provide mean estimates with an accuracy comparable to the estimates given by the MAP solution and the confidence interval that mostly covers the reference solution. We are not able to obtain the HMC posterior to validate rPICKLE's convergence to the true posterior due to the HMC's prohibitive computational cost for the considered high-dimensional problems. Our results demonstrate the advantages of rPICKLE over HMC for approximately sampling high-dimensional posterior distributions subject to physics constraints.

Towards Transferable Adversarial Attacks with Centralized Perturbation. (arXiv:2312.06199v2 [cs.CV] UPDATED)

Authors: Shangbo Wu, Yu-an Tan, Yajie Wang, Ruinan Ma, Wencong Ma, Yuanzhang Li

Adversarial transferability enables black-box attacks on unknown victim deep neural networks (DNNs), rendering attacks viable in real-world scenarios. Current transferable attacks create adversarial perturbation over the entire image, resulting in excessive noise that overfit the source model. Concentrating perturbation to dominant image regions that are model-agnostic is crucial to improving adversarial efficacy. However, limiting perturbation to local regions in the spatial domain proves inadequate in augmenting transferability. To this end, we propose a transferable adversarial attack with fine-grained perturbation optimization in the frequency domain, creating centralized perturbation. We devise a systematic pipeline to dynamically constrain perturbation optimization to dominant frequency coefficients. The constraint is optimized in parallel at each iteration, ensuring the directional alignment of perturbation optimization with model prediction. Our approach allows us to centralize perturbation towards sample-specific important frequency features, which are shared by DNNs, effectively mitigating source model overfitting. Experiments demonstrate that by dynamically centralizing perturbation on dominating frequency coefficients, crafted adversarial examples exhibit stronger transferability, and allowing them to bypass various defenses.

Federated Full-Parameter Tuning of Billion-Sized Language Models with Communication Cost under 18 Kilobytes. (arXiv:2312.06353v2 [cs.LG] UPDATED)

Authors: Zhen Qin, Daoyuan Chen, Bingchen Qian, Bolin Ding, Yaliang Li, Shuiguang Deng

Pre-trained large language models (LLMs) require fine-tuning to improve their responsiveness to natural language instructions. Federated learning (FL) offers a way to perform fine-tuning using the abundant data on end devices without compromising data privacy. Most existing federated fine-tuning methods for LLMs rely on parameter-efficient fine-tuning techniques, which may not reach the performance heights possible with full-parameter tuning. However, the communication overhead associated with full-parameter tuning is prohibitively high for both servers and clients. This work introduces FedKSeed, a novel approach that employs zeroth-order optimization (ZOO) with a set of random seeds. It enables federated full-parameter tuning of billion-sized LLMs directly on devices. Our method significantly reduces transmission requirements between the server and clients to just a few scalar gradients and random seeds, amounting to only a few thousand bytes. Building on this, we develop a strategy to assess the significance of ZOO perturbations for FL, allowing for probability-differentiated seed sampling. This prioritizes perturbations that have a greater impact on model accuracy. Experiments across six scenarios with different LLMs, datasets and data partitions demonstrate that our approach outperforms existing federated LLM fine-tuning methods in terms of both communication efficiency and new task generalization.

Decoding Mean Field Games from Population and Environment Observations By Gaussian Processes. (arXiv:2312.06625v2 [cs.GT] UPDATED)

Authors: Jinyan Guo, Chenchen Mou, Xianjin Yang, Chao Zhou

This paper presents a Gaussian Process (GP) framework, a non-parametric technique widely acknowledged for regression and classification tasks, to address inverse problems in mean field games (MFGs). By leveraging GPs, we aim to recover agents' strategic actions and the environment's configurations from partial and noisy observations of the population of agents and the setup of the environment. Our method is a probabilistic tool to infer the behaviors of agents in MFGs from data in scenarios where the comprehensive dataset is either inaccessible or contaminated by noises.

Gated Linear Attention Transformers with Hardware-Efficient Training. (arXiv:2312.06635v3 [cs.LG] UPDATED)

Authors: Songlin Yang, Bailin Wang, Yikang Shen, Rameswar Panda, Yoon Kim

Transformers with linear attention allow for efficient parallel training but can simultaneously be formulated as an RNN with 2D (matrix-valued) hidden states, thus enjoying linear (with respect to output length) inference complexity. Recent works such as RetNet (Sun et al., 2023) and TransNormerLLM (Qin et al., 2023a) observe that adding a global decay term to the additive RNN update rule greatly improves performance, sometimes outperforming standard Transformers with softmax attention when trained at scale. In this work we show that adding a data-dependent gating mechanism further improves performance. We derive a parallel form of this gated linear attention layer that enables efficient training. However, a straightforward, numerically stable implementation of this parallel form requires generalized matrix multiplications in log-space for numerical stability, and thus cannot take advantage of tensor cores on modern GPUs which are optimized for standard matrix multiplications. We develop a hardware-efficient version of the parallel form that can still make use of tensor cores through block-parallel computations over sequence chunks. Experiments on moderate-scale language modeling (340M-parameter models trained on 15B tokens, 1.3B-parameter models trained on 100B tokens) show that gated linear attention (GLA) Transformers perform competitively against a strong LLaMA-architecture Transformer baseline (Touvron et al., 2023) as well as Mamba (Gu & Dao, 2023), a recently introduced state-space model with a data-dependent state transition mechanism. For training speed, our Triton-based implementation performs comparably to CUDA-optimized FlashAttention-2 (Dao, 2023) under the regular 2048 training length setting, while outperforming FlashAttention-2 when training on longer sequences beyond 4096.

Coupled Confusion Correction: Learning from Crowds with Sparse Annotations. (arXiv:2312.07331v2 [cs.LG] UPDATED)

Authors: Hansong Zhang, Shikun Li, Dan Zeng, Chenggang Yan, Shiming Ge

As the size of the datasets getting larger, accurately annotating such datasets is becoming more impractical due to the expensiveness on both time and economy. Therefore, crowd-sourcing has been widely adopted to alleviate the cost of collecting labels, which also inevitably introduces label noise and eventually degrades the performance of the model. To learn from crowd-sourcing annotations, modeling the expertise of each annotator is a common but challenging paradigm, because the annotations collected by crowd-sourcing are usually highly-sparse. To alleviate this problem, we propose Coupled Confusion Correction (CCC), where two models are simultaneously trained to correct the confusion matrices learned by each other. Via bi-level optimization, the confusion matrices learned by one model can be corrected by the distilled data from the other. Moreover, we cluster the ``annotator groups'' who share similar expertise so that their confusion matrices could be corrected together. In this way, the expertise of the annotators, especially of those who provide seldom labels, could be better captured. Remarkably, we point out that the annotation sparsity not only means the average number of labels is low, but also there are always some annotators who provide very few labels, which is neglected by previous works when constructing synthetic crowd-sourcing annotations. Based on that, we propose to use Beta distribution to control the generation of the crowd-sourcing labels so that the synthetic annotations could be more consistent with the real-world ones. Extensive experiments are conducted on two types of synthetic datasets and three real-world datasets, the results of which demonstrate that CCC significantly outperforms state-of-the-art approaches.

Accelerating the Global Aggregation of Local Explanations. (arXiv:2312.07991v2 [cs.LG] UPDATED)

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.

Harmonics of Learning: Universal Fourier Features Emerge in Invariant Networks. (arXiv:2312.08550v2 [cs.LG] UPDATED)

Authors: Giovanni Luca Marchetti, Christopher Hillar, Danica Kragic, Sophia Sanborn

In this work, we formally prove that, under certain conditions, if a neural network is invariant to a finite group then its weights recover the Fourier transform on that group. This provides a mathematical explanation for the emergence of Fourier features -- a ubiquitous phenomenon in both biological and artificial learning systems. The results hold even for non-commutative groups, in which case the Fourier transform encodes all the irreducible unitary group representations. Our findings have consequences for the problem of symmetry discovery. Specifically, we demonstrate that the algebraic structure of an unknown group can be recovered from the weights of a network that is at least approximately invariant within certain bounds. Overall, this work contributes to a foundation for an algebraic learning theory of invariant neural network representations.

Unraveling Key Factors of Knowledge Distillation. (arXiv:2312.08585v2 [cs.CL] UPDATED)

Authors: Jingxuan Wei, Linzhuang Sun, Xu Tan, Bihui Yu, Ruifeng Guo

Knowledge distillation, a technique for model compression and performance enhancement, has gained significant traction in Neural Machine Translation (NMT). However, existing research primarily focuses on empirical applications, and there is a lack of comprehensive understanding of how student model capacity, data complexity, and decoding strategies collectively influence distillation effectiveness. Addressing this gap, our study conducts an in-depth investigation into these factors, particularly focusing on their interplay in word-level and sequence-level distillation within NMT. Through extensive experimentation across datasets like IWSLT13 En$\rightarrow$Fr, IWSLT14 En$\rightarrow$De, and others, we empirically validate hypotheses related to the impact of these factors on knowledge distillation. Our research not only elucidates the significant influence of model capacity, data complexity, and decoding strategies on distillation effectiveness but also introduces a novel, optimized distillation approach. This approach, when applied to the IWSLT14 de$\rightarrow$en translation task, achieves state-of-the-art performance, demonstrating its practical efficacy in advancing the field of NMT.

Mitigating Label Bias in Machine Learning: Fairness through Confident Learning. (arXiv:2312.08749v2 [cs.LG] UPDATED)

Authors: Yixuan Zhang, Boyu Li, Zenan Ling, Feng Zhou

Discrimination can occur when the underlying unbiased labels are overwritten by an agent with potential bias, resulting in biased datasets that unfairly harm specific groups and cause classifiers to inherit these biases. In this paper, we demonstrate that despite only having access to the biased labels, it is possible to eliminate bias by filtering the fairest instances within the framework of confident learning. In the context of confident learning, low self-confidence usually indicates potential label errors; however, this is not always the case. Instances, particularly those from underrepresented groups, might exhibit low confidence scores for reasons other than labeling errors. To address this limitation, our approach employs truncation of the confidence score and extends the confidence interval of the probabilistic threshold. Additionally, we incorporate with co-teaching paradigm for providing a more robust and reliable selection of fair instances and effectively mitigating the adverse effects of biased labels. Through extensive experimentation and evaluation of various datasets, we demonstrate the efficacy of our approach in promoting fairness and reducing the impact of label bias in machine learning models.

Brain-Inspired Machine Intelligence: A Survey of Neurobiologically-Plausible Credit Assignment. (arXiv:2312.09257v2 [cs.NE] UPDATED)

Authors: Alexander G. Ororbia

In this survey, we examine algorithms for conducting credit assignment in artificial neural networks that are inspired or motivated by neurobiology. These processes are unified under one possible taxonomy, which is constructed based on how a learning algorithm answers a central question underpinning the mechanisms of synaptic plasticity in complex adaptive neuronal systems: where do the signals that drive the learning in individual elements of a network come from and how are they produced? In this unified treatment, we organize the ever-growing set of brain-inspired learning schemes into six general families and consider these in the context of backpropagation of errors and its known criticisms. The results of this review are meant to encourage future developments in neuro-mimetic systems and their constituent learning processes, wherein lies an important opportunity to build a strong bridge between machine learning, computational neuroscience, and cognitive science.

Fragility, Robustness and Antifragility in Deep Learning. (arXiv:2312.09821v2 [cs.LG] UPDATED)

Authors: Chandresh Pravin, Ivan Martino, Giuseppe Nicosia, Varun Ojha

We propose a systematic analysis of deep neural networks (DNNs) based on a signal processing technique for network parameter removal, in the form of synaptic filters that identifies the fragility, robustness and antifragility characteristics of DNN parameters. Our proposed analysis investigates if the DNN performance is impacted negatively, invariantly, or positively on both clean and adversarially perturbed test datasets when the DNN undergoes synaptic filtering. We define three \textit{filtering scores} for quantifying the fragility, robustness and antifragility characteristics of DNN parameters based on the performances for (i) clean dataset, (ii) adversarial dataset, and (iii) the difference in performances of clean and adversarial datasets. We validate the proposed systematic analysis on ResNet-18, ResNet-50, SqueezeNet-v1.1 and ShuffleNet V2 x1.0 network architectures for MNIST, CIFAR10 and Tiny ImageNet datasets. The filtering scores, for a given network architecture, identify network parameters that are invariant in characteristics across different datasets over learning epochs. Vice-versa, for a given dataset, the filtering scores identify the parameters that are invariant in characteristics across different network architectures. We show that our synaptic filtering method improves the test accuracy of ResNet and ShuffleNet models on adversarial datasets when only the robust and antifragile parameters are selectively retrained at any given epoch, thus demonstrating applications of the proposed strategy in improving model robustness.

ICD-LM: Configuring Vision-Language In-Context Demonstrations by Language Modeling. (arXiv:2312.10104v2 [cs.CV] UPDATED)

Authors: Yingzhe Peng, Xu Yang, Haoxuan Ma, Shuo Xu, Chi Zhang, Yucheng Han, Hanwang Zhang

This paper studies how to configure powerful In-Context Demonstration (ICD) sequences for a Large Vision-Language Model (LVLM) to solve Vision-Language tasks through In-Context Learning (ICL). After observing that configuring an ICD sequence is a mirror process of composing a sentence, i.e., just as a sentence can be composed word by word via a Language Model, an ICD sequence can also be configured one by one. Consequently, we introduce an ICD Language Model (ICD-LM) specifically designed to generate effective ICD sequences. This involves creating a dataset of hand-crafted ICD sequences for various query samples and using it to train the ICD-LM. Our approach, diverging from traditional methods in NLP that select and order ICDs separately, enables to simultaneously learn how to select and order ICDs, enhancing the effect of the sequences. Moreover, during data construction, we use the LVLM intended for ICL implementation to validate the strength of each ICD sequence, resulting in a model-specific dataset and the ICD-LM trained by this dataset is also model-specific. We validate our methodology through experiments in Visual Question Answering and Image Captioning, confirming the viability of using a Language Model for ICD configuration. Our comprehensive ablation studies further explore the impact of various dataset construction and ICD-LM development settings on the outcomes. The code is given in https://github.com/ForJadeForest/ICD-LM.

Imitate the Good and Avoid the Bad: An Incremental Approach to Safe Reinforcement Learning. (arXiv:2312.10385v2 [cs.LG] UPDATED)

Authors: Huy Hoang, Tien Mai, Pradeep Varakantham

A popular framework for enforcing safe actions in Reinforcement Learning (RL) is Constrained RL, where trajectory based constraints on expected cost (or other cost measures) are employed to enforce safety and more importantly these constraints are enforced while maximizing expected reward. Most recent approaches for solving Constrained RL convert the trajectory based cost constraint into a surrogate problem that can be solved using minor modifications to RL methods. A key drawback with such approaches is an over or underestimation of the cost constraint at each state. Therefore, we provide an approach that does not modify the trajectory based cost constraint and instead imitates ``good'' trajectories and avoids ``bad'' trajectories generated from incrementally improving policies. We employ an oracle that utilizes a reward threshold (which is varied with learning) and the overall cost constraint to label trajectories as ``good'' or ``bad''. A key advantage of our approach is that we are able to work from any starting policy or set of trajectories and improve on it. In an exhaustive set of experiments, we demonstrate that our approach is able to outperform top benchmark approaches for solving Constrained RL problems, with respect to expected cost, CVaR cost, or even unknown cost constraints.

DeepArt: A Benchmark to Advance Fidelity Research in AI-Generated Content. (arXiv:2312.10407v2 [cs.CV] UPDATED)

Authors: Wentao Wang, Xuanyao Huang, Tianyang Wang, Swalpa Kumar Roy

This paper explores the image synthesis capabilities of GPT-4, a leading multi-modal large language model. We establish a benchmark for evaluating the fidelity of texture features in images generated by GPT-4, comprising manually painted pictures and their AI-generated counterparts. The contributions of this study are threefold: First, we provide an in-depth analysis of the fidelity of image synthesis features based on GPT-4, marking the first such study on this state-of-the-art model. Second, the quantitative and qualitative experiments fully reveals the limitations of the GPT-4 model in image synthesis. Third, we have compiled a unique benchmark of manual drawings and corresponding GPT-4-generated images, introducing a new task to advance fidelity research in AI-generated content (AIGC). The dataset is available at: \url{https://github.com/rickwang28574/DeepArt}.

E2E-AT: A Unified Framework for Tackling Uncertainty in Task-aware End-to-end Learning. (arXiv:2312.10587v2 [cs.LG] UPDATED)

Authors: Wangkun Xu, Jianhong Wang, Fei Teng

Successful machine learning involves a complete pipeline of data, model, and downstream applications. Instead of treating them separately, there has been a prominent increase of attention within the constrained optimization (CO) and machine learning (ML) communities towards combining prediction and optimization models. The so-called end-to-end (E2E) learning captures the task-based objective for which they will be used for decision making. Although a large variety of E2E algorithms have been presented, it has not been fully investigated how to systematically address uncertainties involved in such models. Most of the existing work considers the uncertainties of ML in the input space and improves robustness through adversarial training. We extend this idea to E2E learning and prove that there is a robustness certification procedure by solving augmented integer programming. Furthermore, we show that neglecting the uncertainty of COs during training causes a new trigger for generalization errors. To include all these components, we propose a unified framework that covers the uncertainties emerging in both the input feature space of the ML models and the COs. The framework is described as a robust optimization problem and is practically solved via end-to-end adversarial training (E2E-AT). Finally, the performance of E2E-AT is evaluated by a real-world end-to-end power system operation problem, including load forecasting and sequential scheduling tasks.

Model Stealing Attack against Graph Classification with Authenticity, Uncertainty and Diversity. (arXiv:2312.10943v2 [cs.LG] UPDATED)

Authors: Zhihao Zhu, Chenwang Wu, Rui Fan, Yi Yang, Defu Lian, Enhong Chen

Recent research demonstrates that GNNs are vulnerable to the model stealing attack, a nefarious endeavor geared towards duplicating the target model via query permissions. However, they mainly focus on node classification tasks, neglecting the potential threats entailed within the domain of graph classification tasks. Furthermore, their practicality is questionable due to unreasonable assumptions, specifically concerning the large data requirements and extensive model knowledge. To this end, we advocate following strict settings with limited real data and hard-label awareness to generate synthetic data, thereby facilitating the stealing of the target model. Specifically, following important data generation principles, we introduce three model stealing attacks to adapt to different actual scenarios: MSA-AU is inspired by active learning and emphasizes the uncertainty to enhance query value of generated samples; MSA-AD introduces diversity based on Mixup augmentation strategy to alleviate the query inefficiency issue caused by over-similar samples generated by MSA-AU; MSA-AUD combines the above two strategies to seamlessly integrate the authenticity, uncertainty, and diversity of the generated samples. Finally, extensive experiments consistently demonstrate the superiority of the proposed methods in terms of concealment, query efficiency, and stealing performance.

A Survey of Reasoning with Foundation Models. (arXiv:2312.11562v4 [cs.AI] UPDATED)

Authors: Jiankai Sun, Chuanyang Zheng, Enze Xie, Zhengying Liu, Ruihang Chu, Jianing Qiu, Jiaqi Xu, Mingyu Ding, Hongyang Li, Mengzhe Geng, Yue Wu, Wenhai Wang, Junsong Chen, Zhangyue Yin, Xiaozhe Ren, Jie Fu, Junxian He, Wu Yuan, Qi Liu, Xihui Liu, Yu Li, Hao Dong, Yu Cheng, Ming Zhang, Pheng Ann Heng, Jifeng Dai, Ping Luo, Jingdong Wang, Ji-Rong Wen, Xipeng Qiu, Yike Guo, Hui Xiong, Qun Liu, Zhenguo Li

Reasoning, a crucial ability for complex problem-solving, plays a pivotal role in various real-world settings such as negotiation, medical diagnosis, and criminal investigation. It serves as a fundamental methodology in the field of Artificial General Intelligence (AGI). With the ongoing development of foundation models, there is a growing interest in exploring their abilities in reasoning tasks. In this paper, we introduce seminal foundation models proposed or adaptable for reasoning, highlighting the latest advancements in various reasoning tasks, methods, and benchmarks. We then delve into the potential future directions behind the emergence of reasoning abilities within foundation models. We also discuss the relevance of multimodal learning, autonomous agents, and super alignment in the context of reasoning. By discussing these future research directions, we hope to inspire researchers in their exploration of this field, stimulate further advancements in reasoning with foundation models, and contribute to the development of AGI.

Model Stealing Attack against Recommender System. (arXiv:2312.11571v2 [cs.CR] UPDATED)

Authors: Zhihao Zhu, Rui Fan, Chenwang Wu, Yi Yang, Defu Lian, Enhong Chen

Recent studies have demonstrated the vulnerability of recommender systems to data privacy attacks. However, research on the threat to model privacy in recommender systems, such as model stealing attacks, is still in its infancy. Some adversarial attacks have achieved model stealing attacks against recommender systems, to some extent, by collecting abundant training data of the target model (target data) or making a mass of queries. In this paper, we constrain the volume of available target data and queries and utilize auxiliary data, which shares the item set with the target data, to promote model stealing attacks. Although the target model treats target and auxiliary data differently, their similar behavior patterns allow them to be fused using an attention mechanism to assist attacks. Besides, we design stealing functions to effectively extract the recommendation list obtained by querying the target model. Experimental results show that the proposed methods are applicable to most recommender systems and various scenarios and exhibit excellent attack performance on multiple datasets.

AI-Based Energy Transportation Safety: Pipeline Radial Threat Estimation Using Intelligent Sensing System. (arXiv:2312.11583v2 [cs.LG] UPDATED)

Authors: Chengyuan Zhu, Yiyuan Yang, Kaixiang Yang, Haifeng Zhang, Qinmin Yang, C. L. Philip Chen

The application of artificial intelligence technology has greatly enhanced and fortified the safety of energy pipelines, particularly in safeguarding against external threats. The predominant methods involve the integration of intelligent sensors to detect external vibration, enabling the identification of event types and locations, thereby replacing manual detection methods. However, practical implementation has exposed a limitation in current methods - their constrained ability to accurately discern the spatial dimensions of external signals, which complicates the authentication of threat events. Our research endeavors to overcome the above issues by harnessing deep learning techniques to achieve a more fine-grained recognition and localization process. This refinement is crucial in effectively identifying genuine threats to pipelines, thus enhancing the safety of energy transportation. This paper proposes a radial threat estimation method for energy pipelines based on distributed optical fiber sensing technology. Specifically, we introduce a continuous multi-view and multi-domain feature fusion methodology to extract comprehensive signal features and construct a threat estimation and recognition network. The utilization of collected acoustic signal data is optimized, and the underlying principle is elucidated. Moreover, we incorporate the concept of transfer learning through a pre-trained model, enhancing both recognition accuracy and training efficiency. Empirical evidence gathered from real-world scenarios underscores the efficacy of our method, notably in its substantial reduction of false alarms and remarkable gains in recognition accuracy. More generally, our method exhibits versatility and can be extrapolated to a broader spectrum of recognition tasks and scenarios.

Self-Supervised Detection of Perfect and Partial Input-Dependent Symmetries. (arXiv:2312.12223v2 [cs.CV] UPDATED)

Authors: Alonso Urbano, David W. Romero

Group equivariance ensures consistent responses to group transformations of the input, leading to more robust models and enhanced generalization capabilities. However, this property can lead to overly constrained models if the symmetries considered in the group differ from those observed in data. While common methods address this by determining the appropriate level of symmetry at the dataset level, they are limited to supervised settings and ignore scenarios in which multiple levels of symmetry co-exist in the same dataset. For instance, pictures of cars and planes exhibit different levels of rotation, yet both are included in the CIFAR-10 dataset. In this paper, we propose a method able to detect the level of symmetry of each input without the need for labels. To this end, we derive a sufficient and necessary condition to learn the distribution of symmetries in the data. Using the learned distribution, we generate pseudo-labels that allow us to learn the levels of symmetry of each input in a self-supervised manner. We validate the effectiveness of our approach on synthetic datasets with different per-class levels of symmetries e.g. MNISTMultiple, in which digits are uniformly rotated within a class-dependent interval. We demonstrate that our method can be used for practical applications such as the generation of standardized datasets in which the symmetries are not present, as well as the detection of out-of-distribution symmetries during inference. By doing so, both the generalization and robustness of non-equivariant models can be improved. Our code is publicly available at https://github.com/aurban0/ssl-sym.

Leading the Pack: N-player Opponent Shaping. (arXiv:2312.12564v2 [cs.LG] UPDATED)

Authors: Alexandra Souly, Timon Willi, Akbir Khan, Robert Kirk, Chris Lu, Edward Grefenstette, Tim Rocktäschel

Reinforcement learning solutions have great success in the 2-player general sum setting. In this setting, the paradigm of Opponent Shaping (OS), in which agents account for the learning of their co-players, has led to agents which are able to avoid collectively bad outcomes, whilst also maximizing their reward. These methods have currently been limited to 2-player game. However, the real world involves interactions with many more agents, with interactions on both local and global scales. In this paper, we extend Opponent Shaping (OS) methods to environments involving multiple co-players and multiple shaping agents. We evaluate on over 4 different environments, varying the number of players from 3 to 5, and demonstrate that model-based OS methods converge to equilibrium with better global welfare than naive learning. However, we find that when playing with a large number of co-players, OS methods' relative performance reduces, suggesting that in the limit OS methods may not perform well. Finally, we explore scenarios where more than one OS method is present, noticing that within games requiring a majority of cooperating agents, OS methods converge to outcomes with poor global welfare.

Learning Performance Maximizing Ensembles with Explainability Guarantees. (arXiv:2312.12715v2 [stat.ML] UPDATED)

Authors: Vincent Pisztora, Jia Li

In this paper we propose a method for the optimal allocation of observations between an intrinsically explainable glass box model and a black box model. An optimal allocation being defined as one which, for any given explainability level (i.e. the proportion of observations for which the explainable model is the prediction function), maximizes the performance of the ensemble on the underlying task, and maximizes performance of the explainable model on the observations allocated to it, subject to the maximal ensemble performance condition. The proposed method is shown to produce such explainability optimal allocations on a benchmark suite of tabular datasets across a variety of explainable and black box model types. These learned allocations are found to consistently maintain ensemble performance at very high explainability levels (explaining $74\%$ of observations on average), and in some cases even outperforming both the component explainable and black box models while improving explainability.

CR-SAM: Curvature Regularized Sharpness-Aware Minimization. (arXiv:2312.13555v2 [cs.LG] UPDATED)

Authors: Tao Wu, Tie Luo, Donald C. Wunsch

The capacity to generalize to future unseen data stands as one of the utmost crucial attributes of deep neural networks. Sharpness-Aware Minimization (SAM) aims to enhance the generalizability by minimizing worst-case loss using one-step gradient ascent as an approximation. However, as training progresses, the non-linearity of the loss landscape increases, rendering one-step gradient ascent less effective. On the other hand, multi-step gradient ascent will incur higher training cost. In this paper, we introduce a normalized Hessian trace to accurately measure the curvature of loss landscape on {\em both} training and test sets. In particular, to counter excessive non-linearity of loss landscape, we propose Curvature Regularized SAM (CR-SAM), integrating the normalized Hessian trace as a SAM regularizer. Additionally, we present an efficient way to compute the trace via finite differences with parallelism. Our theoretical analysis based on PAC-Bayes bounds establishes the regularizer's efficacy in reducing generalization error. Empirical evaluation on CIFAR and ImageNet datasets shows that CR-SAM consistently enhances classification performance for ResNet and Vision Transformer (ViT) models across various datasets. Our code is available at https://github.com/TrustAIoT/CR-SAM.

On Task Performance and Model Calibration with Supervised and Self-Ensembled In-Context Learning. (arXiv:2312.13772v2 [cs.CL] UPDATED)

Authors: Chengzu Li, Han Zhou, Goran Glavaš, Anna Korhonen, Ivan Vulić

Following the standard supervised fine-tuning (SFT) paradigm, in-context learning (ICL) has become an efficient approach propelled by the recent advancements in large language models (LLMs), yielding promising performance across various tasks in few-shot data setups. However, both paradigms are prone to suffer from the critical problem of overconfidence (i.e., miscalibration), especially in such limited data setups. In this work, we deliver an in-depth analysis of the behavior across different choices of learning methods from the perspective of both performance and calibration, as well as their interplay. Through extensive controlled experiments, we find that simultaneous gains for both task performance and calibration are difficult to achieve, and the problem of miscalibration exists across all learning methods in low-resource scenarios. To address this challenging trade-off between performance and calibration, we then investigate the potential of self-ensembling techniques applied at different modeling stages (e.g., variations of in-context examples or variations in prompts or different ensembling strategies). We justify the feasibility of self-ensembling on SFT in addition to ICL, to make the predictions more calibrated and have comparable or even better performance. Our work sheds light on which learning paradigm to choose and how to enhance both task performance and calibration of LLMs.

Fed-CO2: Cooperation of Online and Offline Models for Severe Data Heterogeneity in Federated Learning. (arXiv:2312.13923v2 [cs.LG] UPDATED)

Authors: Zhongyi Cai, Ye Shi, Wei Huang, Jingya Wang

Federated Learning (FL) has emerged as a promising distributed learning paradigm that enables multiple clients to learn a global model collaboratively without sharing their private data. However, the effectiveness of FL is highly dependent on the quality of the data that is being used for training. In particular, data heterogeneity issues, such as label distribution skew and feature skew, can significantly impact the performance of FL. Previous studies in FL have primarily focused on addressing label distribution skew data heterogeneity, while only a few recent works have made initial progress in tackling feature skew issues. Notably, these two forms of data heterogeneity have been studied separately and have not been well explored within a unified FL framework. To address this gap, we propose Fed-CO$_{2}$, a universal FL framework that handles both label distribution skew and feature skew within a \textbf{C}ooperation mechanism between the \textbf{O}nline and \textbf{O}ffline models. Specifically, the online model learns general knowledge that is shared among all clients, while the offline model is trained locally to learn the specialized knowledge of each individual client. To further enhance model cooperation in the presence of feature shifts, we design an intra-client knowledge transfer mechanism that reinforces mutual learning between the online and offline models, and an inter-client knowledge transfer mechanism to increase the models' domain generalization ability. Extensive experiments show that our Fed-CO$_{2}$ outperforms a wide range of existing personalized federated learning algorithms in terms of handling label distribution skew and feature skew, both individually and collectively. The empirical results are supported by our convergence analyses in a simplified setting.

Structured Probabilistic Coding. (arXiv:2312.13933v2 [cs.CL] UPDATED)

Authors: Dou Hu, Lingwei Wei, Yaxin Liu, Wei Zhou, Songlin Hu

This paper presents a new supervised representation learning framework, namely structured probabilistic coding (SPC), to learn compact and informative representations from input related to the target task. SPC is an encoder-only probabilistic coding technology with a structured regularization from the target label space. It can enhance the generalization ability of pre-trained language models for better language understanding. Specifically, our probabilistic coding technology simultaneously performs information encoding and task prediction in one module to more fully utilize the effective information from input data. It uses variational inference in the output space to reduce randomness and uncertainty. Besides, to better control the probability distribution in the latent space, a structured regularization is proposed to promote class-level uniformity in the latent space. With the regularization term, SPC can preserve the Gaussian distribution structure of latent code as well as better cover the hidden space with class uniformly. Experimental results on 12 natural language understanding tasks demonstrate that our SPC effectively improves the performance of pre-trained language models for classification and regression. Extensive experiments show that SPC can enhance the generalization capability, robustness to label noise, and clustering quality of output representations.

Hierarchical Topology Isomorphism Expertise Embedded Graph Contrastive Learning. (arXiv:2312.14222v2 [cs.LG] UPDATED)

Authors: Jiangmeng Li, Yifan Jin, Hang Gao, Wenwen Qiang, Changwen Zheng, Fuchun Sun

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised graph representation learning approach, GCL achieves impressive successes in various graph benchmarks. However, such an approach falls short of recognizing the topology isomorphism of graphs, resulting in that graphs with relatively homogeneous node features cannot be sufficiently discriminated. By revisiting classic graph topology recognition works, we disclose that the corresponding expertise intuitively complements GCL methods. To this end, we propose a novel hierarchical topology isomorphism expertise embedded graph contrastive learning, which introduces knowledge distillations to empower GCL models to learn the hierarchical topology isomorphism expertise, including the graph-tier and subgraph-tier. On top of this, the proposed method holds the feature of plug-and-play, and we empirically demonstrate that the proposed method is universal to multiple state-of-the-art GCL models. The solid theoretical analyses are further provided to prove that compared with conventional GCL methods, our method acquires the tighter upper bound of Bayes classification error. We conduct extensive experiments on real-world benchmarks to exhibit the performance superiority of our method over candidate GCL methods, e.g., for the real-world graph representation learning experiments, the proposed method beats the state-of-the-art method by 0.23% on unsupervised representation learning setting, 0.43% on transfer learning setting. Our code is available at https://github.com/jyf123/HTML.

Unsupervised Harmonic Parameter Estimation Using Differentiable DSP and Spectral Optimal Transport. (arXiv:2312.14507v2 [cs.SD] UPDATED)

Authors: Bernardo Torres (S2A, IDS, LTCI), Geoffroy Peeters (S2A, IDS, LTCI), Gaël Richard (S2A, IDS, LTCI)

In neural audio signal processing, pitch conditioning has been used to enhance the performance of synthesizers. However, jointly training pitch estimators and synthesizers is a challenge when using standard audio-to-audio reconstruction loss, leading to reliance on external pitch trackers. To address this issue, we propose using a spectral loss function inspired by optimal transportation theory that minimizes the displacement of spectral energy. We validate this approach through an unsupervised autoencoding task that fits a harmonic template to harmonic signals. We jointly estimate the fundamental frequency and amplitudes of harmonics using a lightweight encoder and reconstruct the signals using a differentiable harmonic synthesizer. The proposed approach offers a promising direction for improving unsupervised parameter estimation in neural audio applications.

Large Language Model (LLM) Bias Index -- LLMBI. (arXiv:2312.14769v2 [cs.CL] UPDATED)

Authors: Abiodun Finbarrs Oketunji, Muhammad Anas, Deepthi Saina

The Large Language Model Bias Index (LLMBI) is a pioneering approach designed to quantify and address biases inherent in large language models (LLMs), such as GPT-4. We recognise the increasing prevalence and impact of LLMs across diverse sectors. This research introduces a novel metric, LLMBI, to systematically measure and mitigate biases potentially skewing model responses. We formulated LLMBI using a composite scoring system incorporating multiple dimensions of bias, including but not limited to age, gender, and racial biases.

To operationalise this metric, we engaged in a multi-step process involving collecting and annotating LLM responses, applying sophisticated Natural Language Processing (NLP) techniques for bias detection, and computing the LLMBI score through a specially crafted mathematical formula. The formula integrates weighted averages of various bias dimensions, a penalty for dataset diversity deficiencies, and a correction for sentiment biases. Our empirical analysis, conducted using responses from OpenAI's API, employs advanced sentiment analysis as a representative method for bias detection.

The research reveals LLMs, whilst demonstrating impressive capabilities in text generation, exhibit varying degrees of bias across different dimensions. LLMBI provides a quantifiable measure to compare biases across models and over time, offering a vital tool for systems engineers, researchers and regulators in enhancing the fairness and reliability of LLMs. It highlights the potential of LLMs in mimicking unbiased human-like responses. Additionally, it underscores the necessity of continuously monitoring and recalibrating such models to align with evolving societal norms and ethical standards.

Large Scale Training of Graph Neural Networks for Optimal Markov-Chain Partitioning Using the Kemeny Constant. (arXiv:2312.14847v2 [physics.bio-ph] UPDATED)

Authors: Sam Alexander Martino, João Morado, Chenghao Li, Zhenghao Lu, Edina Rosta

Traditional clustering algorithms often struggle to capture the complex relationships within graphs and generalise to arbitrary clustering criteria. The emergence of graph neural networks (GNNs) as a powerful framework for learning representations of graph data provides new approaches to solving the problem. Previous work has shown GNNs to be capable of proposing partitionings using a variety of criteria, however, these approaches have not yet been extended to work on Markov chains or kinetic networks. These arise frequently in the study of molecular systems and are of particular interest to the biochemical modelling community. In this work, we propose several GNN-based architectures to tackle the graph partitioning problem for Markov Chains described as kinetic networks. This approach aims to minimize how much a proposed partitioning changes the Kemeny constant. We propose using an encoder-decoder architecture and show how simple GraphSAGE-based GNNs with linear layers can outperform much larger and more expressive attention-based models in this context. As a proof of concept, we first demonstrate the method's ability to cluster randomly connected graphs. We also use a linear chain architecture corresponding to a 1D free energy profile as our kinetic network. Subsequently, we demonstrate the effectiveness of our method through experiments on a data set derived from molecular dynamics. We compare the performance of our method to other partitioning techniques such as PCCA+. We explore the importance of feature and hyperparameter selection and propose a general strategy for large-scale parallel training of GNNs for discovering optimal graph partitionings.

NPHardEval: Dynamic Benchmark on Reasoning Ability of Large Language Models via Complexity Classes. (arXiv:2312.14890v2 [cs.AI] UPDATED)

Authors: Lizhou Fan, Wenyue Hua, Lingyao Li, Haoyang Ling, Yongfeng Zhang, Libby Hemphill

Complex reasoning ability is one of the most important features of current LLMs, which has also been leveraged to play an integral role in complex decision-making tasks. Therefore, the investigation into the reasoning capabilities of Large Language Models (LLMs) is critical: numerous benchmarks have been established to assess the reasoning abilities of LLMs. However, current benchmarks are inadequate in offering a rigorous evaluation of the full extent of reasoning abilities that LLMs are capable of achieving. They are also prone to the risk of overfitting, as these benchmarks, being publicly accessible and static, allow models to potentially tailor their responses to specific benchmark metrics, thereby inflating their performance. Addressing these limitations, our research introduces a new benchmark, named NPHardEval. This benchmark is designed to evaluate the reasoning abilities of LLMs across a broad spectrum of 900 algorithmic questions, extending up to the NP-Hard complexity class. These questions are meticulously chosen to represent a wide range of complexity class below the NP-hard complexity class, offering a rigorous measure of the reasoning ability of LLMs. Through this study, we shed light on the current state of reasoning in LLMs, providing an objective and rigorous perspective through the comparison of LLMs' performance across complex classes. Moreover, this benchmark is designed with a dynamic update mechanism, where the datapoints are refreshed on a monthly basis. Such regular updates play a crucial role in mitigating the risk of LLMs overfitting to the benchmark, promoting a more accurate and reliable assessment of their reasoning capabilities. The benchmark dataset and code of NPHardEval are available at https://github.com/casmlab/NPHardEval.

Lift-Attend-Splat: Bird's-eye-view camera-lidar fusion using transformers. (arXiv:2312.14919v2 [cs.CV] UPDATED)

Authors: James Gunn, Zygmunt Lenyk, Anuj Sharma, Andrea Donati, Alexandru Buburuzan, John Redford, Romain Mueller

Combining complementary sensor modalities is crucial to providing robust perception for safety-critical robotics applications such as autonomous driving (AD). Recent state-of-the-art camera-lidar fusion methods for AD rely on monocular depth estimation which is a notoriously difficult task compared to using depth information from the lidar directly. Here, we find that this approach does not leverage depth as expected and show that naively improving depth estimation does not lead to improvements in object detection performance and that, strikingly, removing depth estimation altogether does not degrade object detection performance. This suggests that relying on monocular depth could be an unnecessary architectural bottleneck during camera-lidar fusion. In this work, we introduce a novel fusion method that bypasses monocular depth estimation altogether and instead selects and fuses camera and lidar features in a bird's-eye-view grid using a simple attention mechanism. We show that our model can modulate its use of camera features based on the availability of lidar features and that it yields better 3D object detection on the nuScenes dataset than baselines relying on monocular depth estimation.