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Constructing Synthetic Treatment Groups without the Mean Exchangeability Assumption
The purpose of this work is to transport the information from multiple randomized controlled trials to the target population where we only have the control group data. Previous works rely critically on the mean exchangeability assumption. However, as pointed out by many current studies, the mean exchangeability assumption might be violated. Motivated by the synthetic control method, we construct a synthetic treatment group for the target population by a weighted mixture of treatment groups of source populations. We estimate the weights by minimizing the conditional maximum mean discrepancy between the weighted control groups of source populations and the target population. We establish the asymptotic normality of the synthetic treatment group estimator based on the sieve semiparametric theory. Our method can serve as a novel complementary approach when the mean exchangeability assumption is violated. Experiments are conducted on synthetic and real-world datasets to demonstrate the effectiveness of our methods.
[ "Yuhang Zhang", "Yue Liu", "Zhihua Zhang" ]
2023-09-28 13:00:56
http://arxiv.org/abs/2309.16409v1
http://arxiv.org/pdf/2309.16409v1
2309.16409v1
VAE-based latent-space classification of RNO-G data
The Radio Neutrino Observatory in Greenland (RNO-G) is a radio-based ultra-high energy neutrino detector located at Summit Station, Greenland. It is still being constructed, with 7 stations currently operational. Neutrino detection works by measuring Askaryan radiation produced by neutrino-nucleon interactions. A neutrino candidate must be found amidst other backgrounds which are recorded at much higher rates -- including cosmic-rays and anthropogenic noise -- the origins of which are sometimes unknown. Here we describe a method to classify different noise classes using the latent space of a variational autoencoder. The latent space forms a compact representation that makes classification tractable. We analyze data from a noisy and a silent station. The method automatically detects and allows us to qualitatively separate multiple event classes, including physical wind-induced signals, for both the noisy and the quiet station.
[ "Thorsten Glüsenkamp" ]
2023-09-28 12:47:38
http://arxiv.org/abs/2309.16401v1
http://arxiv.org/pdf/2309.16401v1
2309.16401v1
Recent Advances of Differential Privacy in Centralized Deep Learning: A Systematic Survey
Differential Privacy has become a widely popular method for data protection in machine learning, especially since it allows formulating strict mathematical privacy guarantees. This survey provides an overview of the state-of-the-art of differentially private centralized deep learning, thorough analyses of recent advances and open problems, as well as a discussion of potential future developments in the field. Based on a systematic literature review, the following topics are addressed: auditing and evaluation methods for private models, improvements of privacy-utility trade-offs, protection against a broad range of threats and attacks, differentially private generative models, and emerging application domains.
[ "Lea Demelius", "Roman Kern", "Andreas Trügler" ]
2023-09-28 12:44:59
http://arxiv.org/abs/2309.16398v1
http://arxiv.org/pdf/2309.16398v1
2309.16398v1
Uncertainty-Aware Decision Transformer for Stochastic Driving Environments
Offline Reinforcement Learning (RL) has emerged as a promising framework for learning policies without active interactions, making it especially appealing for autonomous driving tasks. Recent successes of Transformers inspire casting offline RL as sequence modeling, which performs well in long-horizon tasks. However, they are overly optimistic in stochastic environments with incorrect assumptions that the same goal can be consistently achieved by identical actions. In this paper, we introduce an UNcertainty-awaRE deciSion Transformer (UNREST) for planning in stochastic driving environments without introducing additional transition or complex generative models. Specifically, UNREST estimates state uncertainties by the conditional mutual information between transitions and returns, and segments sequences accordingly. Discovering the `uncertainty accumulation' and `temporal locality' properties of driving environments, UNREST replaces the global returns in decision transformers with less uncertain truncated returns, to learn from true outcomes of agent actions rather than environment transitions. We also dynamically evaluate environmental uncertainty during inference for cautious planning. Extensive experimental results demonstrate UNREST's superior performance in various driving scenarios and the power of our uncertainty estimation strategy.
[ "Zenan Li", "Fan Nie", "Qiao Sun", "Fang Da", "Hang Zhao" ]
2023-09-28 12:44:51
http://arxiv.org/abs/2309.16397v1
http://arxiv.org/pdf/2309.16397v1
2309.16397v1
Differential 2D Copula Approximating Transforms via Sobolev Training: 2-Cats Networks
Copulas are a powerful statistical tool that captures dependencies across data dimensions. When applying Copulas, we can estimate multivariate distribution functions by initially estimating independent marginals, an easy task, and then a single copulating function, $C$, to connect the marginals, a hard task. For two-dimensional data, a copula is a two-increasing function of the form $C: (u,v)\in \mathbf{I}^2 \rightarrow \mathbf{I}$, where $\mathbf{I} = [0, 1]$. In this paper, we show how Neural Networks (NNs) can approximate any two-dimensional copula non-parametrically. Our approach, denoted as 2-Cats, is inspired by the Physics-Informed Neural Networks and Sobolev Training literature. Not only do we show that we can estimate the output of a 2d Copula better than the state-of-the-art, our approach is non-parametric and respects the mathematical properties of a Copula $C$.
[ "Flavio Figueiredo", "José Geraldo Fernandes", "Jackson Silva", "Renato M. Assunção" ]
2023-09-28 12:38:47
http://arxiv.org/abs/2309.16391v1
http://arxiv.org/pdf/2309.16391v1
2309.16391v1
Multi-Swap $k$-Means++
The $k$-means++ algorithm of Arthur and Vassilvitskii (SODA 2007) is often the practitioners' choice algorithm for optimizing the popular $k$-means clustering objective and is known to give an $O(\log k)$-approximation in expectation. To obtain higher quality solutions, Lattanzi and Sohler (ICML 2019) proposed augmenting $k$-means++ with $O(k \log \log k)$ local search steps obtained through the $k$-means++ sampling distribution to yield a $c$-approximation to the $k$-means clustering problem, where $c$ is a large absolute constant. Here we generalize and extend their local search algorithm by considering larger and more sophisticated local search neighborhoods hence allowing to swap multiple centers at the same time. Our algorithm achieves a $9 + \varepsilon$ approximation ratio, which is the best possible for local search. Importantly we show that our approach yields substantial practical improvements, we show significant quality improvements over the approach of Lattanzi and Sohler (ICML 2019) on several datasets.
[ "Lorenzo Beretta", "Vincent Cohen-Addad", "Silvio Lattanzi", "Nikos Parotsidis" ]
2023-09-28 12:31:35
http://arxiv.org/abs/2309.16384v1
http://arxiv.org/pdf/2309.16384v1
2309.16384v1
RLLTE: Long-Term Evolution Project of Reinforcement Learning
We present RLLTE: a long-term evolution, extremely modular, and open-source framework for reinforcement learning (RL) research and application. Beyond delivering top-notch algorithm implementations, RLLTE also serves as a toolkit for developing algorithms. More specifically, RLLTE decouples the RL algorithms completely from the exploitation-exploration perspective, providing a large number of components to accelerate algorithm development and evolution. In particular, RLLTE is the first RL framework to build a complete and luxuriant ecosystem, which includes model training, evaluation, deployment, benchmark hub, and large language model (LLM)-empowered copilot. RLLTE is expected to set standards for RL engineering practice and be highly stimulative for industry and academia.
[ "Mingqi Yuan", "Zequn Zhang", "Yang Xu", "Shihao Luo", "Bo Li", "Xin Jin", "Wenjun Zeng" ]
2023-09-28 12:30:37
http://arxiv.org/abs/2309.16382v1
http://arxiv.org/pdf/2309.16382v1
2309.16382v1
A Comprehensive Review on Tree Detection Methods Using Point Cloud and Aerial Imagery from Unmanned Aerial Vehicles
Unmanned Aerial Vehicles (UAVs) are considered cutting-edge technology with highly cost-effective and flexible usage scenarios. Although many papers have reviewed the application of UAVs in agriculture, the review of the application for tree detection is still insufficient. This paper focuses on tree detection methods applied to UAV data collected by UAVs. There are two kinds of data, the point cloud and the images, which are acquired by the Light Detection and Ranging (LiDAR) sensor and camera, respectively. Among the detection methods using point-cloud data, this paper mainly classifies these methods according to LiDAR and Digital Aerial Photography (DAP). For the detection methods using images directly, this paper reviews these methods by whether or not to use the Deep Learning (DL) method. Our review concludes and analyses the comparison and combination between the application of LiDAR-based and DAP-based point cloud data. The performance, relative merits, and application fields of the methods are also introduced. Meanwhile, this review counts the number of tree detection studies using different methods in recent years. From our statics, the detection task using DL methods on the image has become a mainstream trend as the number of DL-based detection researches increases to 45% of the total number of tree detection studies up to 2022. As a result, this review could help and guide researchers who want to carry out tree detection on specific forests and for farmers to use UAVs in managing agriculture production.
[ "Weijie Kuang", "Hann Woei Ho", "Ye Zhou", "Shahrel Azmin Suandi", "Farzad Ismail" ]
2023-09-28 12:22:39
http://arxiv.org/abs/2309.16375v2
http://arxiv.org/pdf/2309.16375v2
2309.16375v2
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
Property prediction plays an important role in material discovery. As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which combines graph neural network (GNN) with Molecular Hypergraph Grammar (MHG). Results on a variety of property prediction tasks with diverse materials show that MHG-GNN is promising.
[ "Akihiro Kishimoto", "Hiroshi Kajino", "Masataka Hirose", "Junta Fuchiwaki", "Indra Priyadarsini", "Lisa Hamada", "Hajime Shinohara", "Daiju Nakano", "Seiji Takeda" ]
2023-09-28 12:19:43
http://arxiv.org/abs/2309.16374v1
http://arxiv.org/pdf/2309.16374v1
2309.16374v1
Bringing the Discussion of Minima Sharpness to the Audio Domain: a Filter-Normalised Evaluation for Acoustic Scene Classification
The correlation between the sharpness of loss minima and generalisation in the context of deep neural networks has been subject to discussion for a long time. Whilst mostly investigated in the context of selected benchmark data sets in the area of computer vision, we explore this aspect for the audio scene classification task of the DCASE2020 challenge data. Our analysis is based on twodimensional filter-normalised visualisations and a derived sharpness measure. Our exploratory analysis shows that sharper minima tend to show better generalisation than flat minima -even more so for out-of-domain data, recorded from previously unseen devices-, thus adding to the dispute about better generalisation capabilities of flat minima. We further find that, in particular, the choice of optimisers is a main driver of the sharpness of minima and we discuss resulting limitations with respect to comparability. Our code, trained model states and loss landscape visualisations are publicly available.
[ "Manuel Milling", "Andreas Triantafyllopoulos", "Iosif Tsangko", "Simon David Noel Rampp", "Björn Wolfgang Schuller" ]
2023-09-28 12:13:23
http://arxiv.org/abs/2309.16369v1
http://arxiv.org/pdf/2309.16369v1
2309.16369v1
Leveraging Pre-trained Language Models for Time Interval Prediction in Text-Enhanced Temporal Knowledge Graphs
Most knowledge graph completion (KGC) methods learn latent representations of entities and relations of a given graph by mapping them into a vector space. Although the majority of these methods focus on static knowledge graphs, a large number of publicly available KGs contain temporal information stating the time instant/period over which a certain fact has been true. Such graphs are often known as temporal knowledge graphs. Furthermore, knowledge graphs may also contain textual descriptions of entities and relations. Both temporal information and textual descriptions are not taken into account during representation learning by static KGC methods, and only structural information of the graph is leveraged. Recently, some studies have used temporal information to improve link prediction, yet they do not exploit textual descriptions and do not support inductive inference (prediction on entities that have not been seen in training). We propose a novel framework called TEMT that exploits the power of pre-trained language models (PLMs) for text-enhanced temporal knowledge graph completion. The knowledge stored in the parameters of a PLM allows TEMT to produce rich semantic representations of facts and to generalize on previously unseen entities. TEMT leverages textual and temporal information available in a KG, treats them separately, and fuses them to get plausibility scores of facts. Unlike previous approaches, TEMT effectively captures dependencies across different time points and enables predictions on unseen entities. To assess the performance of TEMT, we carried out several experiments including time interval prediction, both in transductive and inductive settings, and triple classification. The experimental results show that TEMT is competitive with the state-of-the-art.
[ "Duygu Sezen Islakoglu", "Mel Chekol", "Yannis Velegrakis" ]
2023-09-28 11:43:49
http://arxiv.org/abs/2309.16357v1
http://arxiv.org/pdf/2309.16357v1
2309.16357v1
Transformer-VQ: Linear-Time Transformers via Vector Quantization
We introduce Transformer-VQ, a decoder-only transformer computing softmax-based dense self-attention in linear time. Transformer-VQ's efficient attention is enabled by vector-quantized keys and a novel caching mechanism. In large-scale experiments, Transformer-VQ is shown highly competitive in quality, with strong results on Enwik8 (0.99 bpb), PG-19 (26.6 ppl), and ImageNet64 (3.16 bpb). Code: https://github.com/transformer-vq/transformer_vq
[ "Lucas D. Lingle" ]
2023-09-28 11:26:52
http://arxiv.org/abs/2309.16354v1
http://arxiv.org/pdf/2309.16354v1
2309.16354v1
ShapeDBA: Generating Effective Time Series Prototypes using ShapeDTW Barycenter Averaging
Time series data can be found in almost every domain, ranging from the medical field to manufacturing and wireless communication. Generating realistic and useful exemplars and prototypes is a fundamental data analysis task. In this paper, we investigate a novel approach to generating realistic and useful exemplars and prototypes for time series data. Our approach uses a new form of time series average, the ShapeDTW Barycentric Average. We therefore turn our attention to accurately generating time series prototypes with a novel approach. The existing time series prototyping approaches rely on the Dynamic Time Warping (DTW) similarity measure such as DTW Barycentering Average (DBA) and SoftDBA. These last approaches suffer from a common problem of generating out-of-distribution artifacts in their prototypes. This is mostly caused by the DTW variant used and its incapability of detecting neighborhood similarities, instead it detects absolute similarities. Our proposed method, ShapeDBA, uses the ShapeDTW variant of DTW, that overcomes this issue. We chose time series clustering, a popular form of time series analysis to evaluate the outcome of ShapeDBA compared to the other prototyping approaches. Coupled with the k-means clustering algorithm, and evaluated on a total of 123 datasets from the UCR archive, our proposed averaging approach is able to achieve new state-of-the-art results in terms of Adjusted Rand Index.
[ "Ali Ismail-Fawaz", "Hassan Ismail Fawaz", "François Petitjean", "Maxime Devanne", "Jonathan Weber", "Stefano Berretti", "Geoffrey I. Webb", "Germain Forestier" ]
2023-09-28 11:25:02
http://arxiv.org/abs/2309.16353v1
http://arxiv.org/pdf/2309.16353v1
2309.16353v1
Intrinsic Language-Guided Exploration for Complex Long-Horizon Robotic Manipulation Tasks
Current reinforcement learning algorithms struggle in sparse and complex environments, most notably in long-horizon manipulation tasks entailing a plethora of different sequences. In this work, we propose the Intrinsically Guided Exploration from Large Language Models (IGE-LLMs) framework. By leveraging LLMs as an assistive intrinsic reward, IGE-LLMs guides the exploratory process in reinforcement learning to address intricate long-horizon with sparse rewards robotic manipulation tasks. We evaluate our framework and related intrinsic learning methods in an environment challenged with exploration, and a complex robotic manipulation task challenged by both exploration and long-horizons. Results show IGE-LLMs (i) exhibit notably higher performance over related intrinsic methods and the direct use of LLMs in decision-making, (ii) can be combined and complement existing learning methods highlighting its modularity, (iii) are fairly insensitive to different intrinsic scaling parameters, and (iv) maintain robustness against increased levels of uncertainty and horizons.
[ "Eleftherios Triantafyllidis", "Filippos Christianos", "Zhibin Li" ]
2023-09-28 11:14:52
http://arxiv.org/abs/2309.16347v1
http://arxiv.org/pdf/2309.16347v1
2309.16347v1
LagrangeBench: A Lagrangian Fluid Mechanics Benchmarking Suite
Machine learning has been successfully applied to grid-based PDE modeling in various scientific applications. However, learned PDE solvers based on Lagrangian particle discretizations, which are the preferred approach to problems with free surfaces or complex physics, remain largely unexplored. We present LagrangeBench, the first benchmarking suite for Lagrangian particle problems, focusing on temporal coarse-graining. In particular, our contribution is: (a) seven new fluid mechanics datasets (four in 2D and three in 3D) generated with the Smoothed Particle Hydrodynamics (SPH) method including the Taylor-Green vortex, lid-driven cavity, reverse Poiseuille flow, and dam break, each of which includes different physics like solid wall interactions or free surface, (b) efficient JAX-based API with various recent training strategies and neighbors search routine, and (c) JAX implementation of established Graph Neural Networks (GNNs) like GNS and SEGNN with baseline results. Finally, to measure the performance of learned surrogates we go beyond established position errors and introduce physical metrics like kinetic energy MSE and Sinkhorn distance for the particle distribution. Our codebase is available under the URL: https://github.com/tumaer/lagrangebench
[ "Artur P. Toshev", "Gianluca Galletti", "Fabian Fritz", "Stefan Adami", "Nikolaus A. Adams" ]
2023-09-28 11:03:23
http://arxiv.org/abs/2309.16342v1
http://arxiv.org/pdf/2309.16342v1
2309.16342v1
EFFL: Egalitarian Fairness in Federated Learning for Mitigating Matthew Effect
Recent advances in federated learning (FL) enable collaborative training of machine learning (ML) models from large-scale and widely dispersed clients while protecting their privacy. However, when different clients' datasets are heterogeneous, traditional FL mechanisms produce a global model that does not adequately represent the poorer clients with limited data resources, resulting in lower accuracy and higher bias on their local data. According to the Matthew effect, which describes how the advantaged gain more advantage and the disadvantaged lose more over time, deploying such a global model in client applications may worsen the resource disparity among the clients and harm the principles of social welfare and fairness. To mitigate the Matthew effect, we propose Egalitarian Fairness Federated Learning (EFFL), where egalitarian fairness refers to the global model learned from FL has: (1) equal accuracy among clients; (2) equal decision bias among clients. Besides achieving egalitarian fairness among the clients, EFFL also aims for performance optimality, minimizing the empirical risk loss and the bias for each client; both are essential for any ML model training, whether centralized or decentralized. We formulate EFFL as a constrained multi-constrained multi-objectives optimization (MCMOO) problem, with the decision bias and egalitarian fairness as constraints and the minimization of the empirical risk losses on all clients as multiple objectives to be optimized. We propose a gradient-based three-stage algorithm to obtain the Pareto optimal solutions within the constraint space. Extensive experiments demonstrate that EFFL outperforms other state-of-the-art FL algorithms in achieving a high-performance global model with enhanced egalitarian fairness among all clients.
[ "Jiashi Gao", "Changwu Huang", "Ming Tang", "Shin Hwei Tan", "Xin Yao", "Xuetao Wei" ]
2023-09-28 10:51:12
http://arxiv.org/abs/2309.16338v1
http://arxiv.org/pdf/2309.16338v1
2309.16338v1
End-to-end Risk Prediction of Atrial Fibrillation from the 12-Lead ECG by Deep Neural Networks
Background: Atrial fibrillation (AF) is one of the most common cardiac arrhythmias that affects millions of people each year worldwide and it is closely linked to increased risk of cardiovascular diseases such as stroke and heart failure. Machine learning methods have shown promising results in evaluating the risk of developing atrial fibrillation from the electrocardiogram. We aim to develop and evaluate one such algorithm on a large CODE dataset collected in Brazil. Results: The deep neural network model identified patients without indication of AF in the presented ECG but who will develop AF in the future with an AUC score of 0.845. From our survival model, we obtain that patients in the high-risk group (i.e. with the probability of a future AF case being greater than 0.7) are 50% more likely to develop AF within 40 weeks, while patients belonging to the minimal-risk group (i.e. with the probability of a future AF case being less than or equal to 0.1) have more than 85% chance of remaining AF free up until after seven years. Conclusion: We developed and validated a model for AF risk prediction. If applied in clinical practice, the model possesses the potential of providing valuable and useful information in decision-making and patient management processes.
[ "Theogene Habineza", "Antônio H. Ribeiro", "Daniel Gedon", "Joachim A. Behar", "Antonio Luiz P. Ribeiro", "Thomas B. Schön" ]
2023-09-28 10:47:40
http://arxiv.org/abs/2309.16335v1
http://arxiv.org/pdf/2309.16335v1
2309.16335v1
DeepPCR: Parallelizing Sequential Operations in Neural Networks
Parallelization techniques have become ubiquitous for accelerating inference and training of deep neural networks. Despite this, several operations are still performed in a sequential manner. For instance, the forward and backward passes are executed layer-by-layer, and the output of diffusion models is produced by applying a sequence of denoising steps. This sequential approach results in a computational cost proportional to the number of steps involved, presenting a potential bottleneck as the number of steps increases. In this work, we introduce DeepPCR, a novel algorithm which parallelizes typically sequential operations used in inference and training of neural networks. DeepPCR is based on interpreting a sequence of $L$ steps as the solution of a specific system of equations, which we recover using the Parallel Cyclic Reduction algorithm. This reduces the complexity of computing the sequential operations from $\mathcal{O}(L)$ to $\mathcal{O}(\log_2L)$, thus yielding a speedup for large $L$. To verify the theoretical lower complexity of the algorithm, and to identify regimes for speedup, we test the effectiveness of DeepPCR in parallelizing the forward and backward pass in multi-layer perceptrons, and reach speedups of up to $30\times$ for forward and $200\times$ for backward pass. We additionally showcase the flexibility of DeepPCR by parallelizing training of ResNets with as many as 1024 layers, and generation in diffusion models, enabling up to $7\times$ faster training and $11\times$ faster generation, respectively, when compared to the sequential approach.
[ "Federico Danieli", "Miguel Sarabia", "Xavier Suau", "Pau Rodríguez", "Luca Zappella" ]
2023-09-28 10:15:30
http://arxiv.org/abs/2309.16318v1
http://arxiv.org/pdf/2309.16318v1
2309.16318v1
Astroconformer: The Prospects of Analyzing Stellar Light Curves with Transformer-Based Deep Learning Models
Light curves of stars encapsulate a wealth of information about stellar oscillations and granulation, thereby offering key insights into the internal structure and evolutionary state of stars. Conventional asteroseismic techniques have been largely confined to power spectral analysis, neglecting the valuable phase information contained within light curves. While recent machine learning applications in asteroseismology utilizing Convolutional Neural Networks (CNNs) have successfully inferred stellar attributes from light curves, they are often limited by the local feature extraction inherent in convolutional operations. To circumvent these constraints, we present $\textit{Astroconformer}$, a Transformer-based deep learning framework designed to capture long-range dependencies in stellar light curves. Our empirical analysis, which focuses on estimating surface gravity ($\log g$), is grounded in a carefully curated dataset derived from $\textit{Kepler}$ light curves. These light curves feature asteroseismic $\log g$ values spanning from 0.2 to 4.4. Our results underscore that, in the regime where the training data is abundant, $\textit{Astroconformer}$ attains a root-mean-square-error (RMSE) of 0.017 dex around $\log g \approx 3 $. Even in regions where training data are sparse, the RMSE can reach 0.1 dex. It outperforms not only the K-nearest neighbor-based model ($\textit{The SWAN}$) but also state-of-the-art CNNs. Ablation studies confirm that the efficacy of the models in this particular task is strongly influenced by the size of their receptive fields, with larger receptive fields correlating with enhanced performance. Moreover, we find that the attention mechanisms within $\textit{Astroconformer}$ are well-aligned with the inherent characteristics of stellar oscillations and granulation present in the light curves.
[ "Jia-Shu Pan", "Yuan-Sen Ting", "Jie Yu" ]
2023-09-28 10:13:23
http://arxiv.org/abs/2309.16316v1
http://arxiv.org/pdf/2309.16316v1
2309.16316v1
A Primer on Bayesian Neural Networks: Review and Debates
Neural networks have achieved remarkable performance across various problem domains, but their widespread applicability is hindered by inherent limitations such as overconfidence in predictions, lack of interpretability, and vulnerability to adversarial attacks. To address these challenges, Bayesian neural networks (BNNs) have emerged as a compelling extension of conventional neural networks, integrating uncertainty estimation into their predictive capabilities. This comprehensive primer presents a systematic introduction to the fundamental concepts of neural networks and Bayesian inference, elucidating their synergistic integration for the development of BNNs. The target audience comprises statisticians with a potential background in Bayesian methods but lacking deep learning expertise, as well as machine learners proficient in deep neural networks but with limited exposure to Bayesian statistics. We provide an overview of commonly employed priors, examining their impact on model behavior and performance. Additionally, we delve into the practical considerations associated with training and inference in BNNs. Furthermore, we explore advanced topics within the realm of BNN research, acknowledging the existence of ongoing debates and controversies. By offering insights into cutting-edge developments, this primer not only equips researchers and practitioners with a solid foundation in BNNs, but also illuminates the potential applications of this dynamic field. As a valuable resource, it fosters an understanding of BNNs and their promising prospects, facilitating further advancements in the pursuit of knowledge and innovation.
[ "Julyan Arbel", "Konstantinos Pitas", "Mariia Vladimirova", "Vincent Fortuin" ]
2023-09-28 10:09:15
http://arxiv.org/abs/2309.16314v1
http://arxiv.org/pdf/2309.16314v1
2309.16314v1
3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information
Molecular property prediction offers an effective and efficient approach for early screening and optimization of drug candidates. Although deep learning based methods have made notable progress, most existing works still do not fully utilize 3D spatial information. This can lead to a single molecular representation representing multiple actual molecules. To address these issues, we propose a novel 3D structure-based molecular modeling method named 3D-Mol. In order to accurately represent complete spatial structure, we design a novel encoder to extract 3D features by deconstructing the molecules into three geometric graphs. In addition, we use 20M unlabeled data to pretrain our model by contrastive learning. We consider conformations with the same topological structure as positive pairs and the opposites as negative pairs, while the weight is determined by the dissimilarity between the conformations. We compare 3D-Mol with various state-of-the-art (SOTA) baselines on 7 benchmarks and demonstrate our outstanding performance in 5 benchmarks.
[ "Taojie Kuang", "Yiming Ren", "Zhixiang Ren" ]
2023-09-28 10:05:37
http://arxiv.org/abs/2309.17366v1
http://arxiv.org/pdf/2309.17366v1
2309.17366v1
CasIL: Cognizing and Imitating Skills via a Dual Cognition-Action Architecture
Enabling robots to effectively imitate expert skills in longhorizon tasks such as locomotion, manipulation, and more, poses a long-standing challenge. Existing imitation learning (IL) approaches for robots still grapple with sub-optimal performance in complex tasks. In this paper, we consider how this challenge can be addressed within the human cognitive priors. Heuristically, we extend the usual notion of action to a dual Cognition (high-level)-Action (low-level) architecture by introducing intuitive human cognitive priors, and propose a novel skill IL framework through human-robot interaction, called Cognition-Action-based Skill Imitation Learning (CasIL), for the robotic agent to effectively cognize and imitate the critical skills from raw visual demonstrations. CasIL enables both cognition and action imitation, while high-level skill cognition explicitly guides low-level primitive actions, providing robustness and reliability to the entire skill IL process. We evaluated our method on MuJoCo and RLBench benchmarks, as well as on the obstacle avoidance and point-goal navigation tasks for quadrupedal robot locomotion. Experimental results show that our CasIL consistently achieves competitive and robust skill imitation capability compared to other counterparts in a variety of long-horizon robotic tasks.
[ "Zixuan Chen", "Ze Ji", "Shuyang Liu", "Jing Huo", "Yiyu Chen", "Yang Gao" ]
2023-09-28 09:53:05
http://arxiv.org/abs/2309.16299v1
http://arxiv.org/pdf/2309.16299v1
2309.16299v1
Efficiency Separation between RL Methods: Model-Free, Model-Based and Goal-Conditioned
We prove a fundamental limitation on the efficiency of a wide class of Reinforcement Learning (RL) algorithms. This limitation applies to model-free RL methods as well as a broad range of model-based methods, such as planning with tree search. Under an abstract definition of this class, we provide a family of RL problems for which these methods suffer a lower bound exponential in the horizon for their interactions with the environment to find an optimal behavior. However, there exists a method, not tailored to this specific family of problems, which can efficiently solve the problems in the family. In contrast, our limitation does not apply to several types of methods proposed in the literature, for instance, goal-conditioned methods or other algorithms that construct an inverse dynamics model.
[ "Brieuc Pinon", "Raphaël Jungers", "Jean-Charles Delvenne" ]
2023-09-28 09:38:27
http://arxiv.org/abs/2309.16291v1
http://arxiv.org/pdf/2309.16291v1
2309.16291v1
LawBench: Benchmarking Legal Knowledge of Large Language Models
Large language models (LLMs) have demonstrated strong capabilities in various aspects. However, when applying them to the highly specialized, safe-critical legal domain, it is unclear how much legal knowledge they possess and whether they can reliably perform legal-related tasks. To address this gap, we propose a comprehensive evaluation benchmark LawBench. LawBench has been meticulously crafted to have precise assessment of the LLMs' legal capabilities from three cognitive levels: (1) Legal knowledge memorization: whether LLMs can memorize needed legal concepts, articles and facts; (2) Legal knowledge understanding: whether LLMs can comprehend entities, events and relationships within legal text; (3) Legal knowledge applying: whether LLMs can properly utilize their legal knowledge and make necessary reasoning steps to solve realistic legal tasks. LawBench contains 20 diverse tasks covering 5 task types: single-label classification (SLC), multi-label classification (MLC), regression, extraction and generation. We perform extensive evaluations of 51 LLMs on LawBench, including 20 multilingual LLMs, 22 Chinese-oriented LLMs and 9 legal specific LLMs. The results show that GPT-4 remains the best-performing LLM in the legal domain, surpassing the others by a significant margin. While fine-tuning LLMs on legal specific text brings certain improvements, we are still a long way from obtaining usable and reliable LLMs in legal tasks. All data, model predictions and evaluation code are released in https://github.com/open-compass/LawBench/. We hope this benchmark provides in-depth understanding of the LLMs' domain-specified capabilities and speed up the development of LLMs in the legal domain.
[ "Zhiwei Fei", "Xiaoyu Shen", "Dawei Zhu", "Fengzhe Zhou", "Zhuo Han", "Songyang Zhang", "Kai Chen", "Zongwen Shen", "Jidong Ge" ]
2023-09-28 09:35:59
http://arxiv.org/abs/2309.16289v1
http://arxiv.org/pdf/2309.16289v1
2309.16289v1
High Throughput Training of Deep Surrogates from Large Ensemble Runs
Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised manner from limited amounts of data slowly generated by the same solver they intend to accelerate. We propose an open-source framework that enables the online training of these models from a large ensemble run of simulations. It leverages multiple levels of parallelism to generate rich datasets. The framework avoids I/O bottlenecks and storage issues by directly streaming the generated data. A training reservoir mitigates the inherent bias of streaming while maximizing GPU throughput. Experiment on training a fully connected network as a surrogate for the heat equation shows the proposed approach enables training on 8TB of data in 2 hours with an accuracy improved by 47% and a batch throughput multiplied by 13 compared to a traditional offline procedure.
[ "Lucas Meyer", "Marc Schouler", "Robert Alexander Caulk", "Alejandro Ribés", "Bruno Raffin" ]
2023-09-28 09:34:52
http://arxiv.org/abs/2309.16743v1
http://arxiv.org/pdf/2309.16743v1
2309.16743v1
Generalizable Heterogeneous Federated Cross-Correlation and Instance Similarity Learning
Federated learning is an important privacy-preserving multi-party learning paradigm, involving collaborative learning with others and local updating on private data. Model heterogeneity and catastrophic forgetting are two crucial challenges, which greatly limit the applicability and generalizability. This paper presents a novel FCCL+, federated correlation and similarity learning with non-target distillation, facilitating the both intra-domain discriminability and inter-domain generalization. For heterogeneity issue, we leverage irrelevant unlabeled public data for communication between the heterogeneous participants. We construct cross-correlation matrix and align instance similarity distribution on both logits and feature levels, which effectively overcomes the communication barrier and improves the generalizable ability. For catastrophic forgetting in local updating stage, FCCL+ introduces Federated Non Target Distillation, which retains inter-domain knowledge while avoiding the optimization conflict issue, fulling distilling privileged inter-domain information through depicting posterior classes relation. Considering that there is no standard benchmark for evaluating existing heterogeneous federated learning under the same setting, we present a comprehensive benchmark with extensive representative methods under four domain shift scenarios, supporting both heterogeneous and homogeneous federated settings. Empirical results demonstrate the superiority of our method and the efficiency of modules on various scenarios.
[ "Wenke Huang", "Mang Ye", "Zekun Shi", "Bo Du" ]
2023-09-28 09:32:27
http://arxiv.org/abs/2309.16286v1
http://arxiv.org/pdf/2309.16286v1
2309.16286v1
A framework for paired-sample hypothesis testing for high-dimensional data
The standard paired-sample testing approach in the multidimensional setting applies multiple univariate tests on the individual features, followed by p-value adjustments. Such an approach suffers when the data carry numerous features. A number of studies have shown that classification accuracy can be seen as a proxy for two-sample testing. However, neither theoretical foundations nor practical recipes have been proposed so far on how this strategy could be extended to multidimensional paired-sample testing. In this work, we put forward the idea that scoring functions can be produced by the decision rules defined by the perpendicular bisecting hyperplanes of the line segments connecting each pair of instances. Then, the optimal scoring function can be obtained by the pseudomedian of those rules, which we estimate by extending naturally the Hodges-Lehmann estimator. We accordingly propose a framework of a two-step testing procedure. First, we estimate the bisecting hyperplanes for each pair of instances and an aggregated rule derived through the Hodges-Lehmann estimator. The paired samples are scored by this aggregated rule to produce a unidimensional representation. Second, we perform a Wilcoxon signed-rank test on the obtained representation. Our experiments indicate that our approach has substantial performance gains in testing accuracy compared to the traditional multivariate and multiple testing, while at the same time estimates each feature's contribution to the final result.
[ "Ioannis Bargiotas", "Argyris Kalogeratos", "Nicolas Vayatis" ]
2023-09-28 09:17:11
http://arxiv.org/abs/2309.16274v1
http://arxiv.org/pdf/2309.16274v1
2309.16274v1
Hierarchical Network Data Analytics Framework for B5G Network Automation: Design and Implementation
5G introduced modularized network functions (NFs) to support emerging services in a more flexible and elastic manner. To mitigate the complexity in such modularized NF management, automated network operation and management are indispensable, and thus the 3rd generation partnership project (3GPP) has introduced a network data analytics function (NWDAF). However, a conventional NWDAF needs to conduct both inference and training tasks, and thus it is difficult to provide the analytics results to NFs in a timely manner for an increased number of analytics requests. In this article, we propose a hierarchical network data analytics framework (H-NDAF) where inference tasks are distributed to multiple leaf NWDAFs and training tasks are conducted at the root NWDAF. Extensive simulation results using open-source software (i.e., free5GC) demonstrate that H-NDAF can provide sufficiently accurate analytics and faster analytics provision time compared to the conventional NWDAF.
[ "Youbin Jeon", "Sangheon Pack" ]
2023-09-28 09:04:58
http://arxiv.org/abs/2309.16269v1
http://arxiv.org/pdf/2309.16269v1
2309.16269v1
Supervised Learning Models for Early Detection of Albuminuria Risk in Type-2 Diabetes Mellitus Patients
Diabetes, especially T2DM, continues to be a significant health problem. One of the major concerns associated with diabetes is the development of its complications. Diabetic nephropathy, one of the chronic complication of diabetes, adversely affects the kidneys, leading to kidney damage. Diagnosing diabetic nephropathy involves considering various criteria, one of which is the presence of a pathologically significant quantity of albumin in urine, known as albuminuria. Thus, early prediction of albuminuria in diabetic patients holds the potential for timely preventive measures. This study aimed to develop a supervised learning model to predict the risk of developing albuminuria in T2DM patients. The selected supervised learning algorithms included Na\"ive Bayes, Support Vector Machine (SVM), decision tree, random forest, AdaBoost, XGBoost, and Multi-Layer Perceptron (MLP). Our private dataset, comprising 184 entries of diabetes complications risk factors, was used to train the algorithms. It consisted of 10 attributes as features and 1 attribute as the target (albuminuria). Upon conducting the experiments, the MLP demonstrated superior performance compared to the other algorithms. It achieved accuracy and f1-score values as high as 0.74 and 0.75, respectively, making it suitable for screening purposes in predicting albuminuria in T2DM. Nonetheless, further studies are warranted to enhance the model's performance.
[ "Arief Purnama Muharram", "Dicky Levenus Tahapary", "Yeni Dwi Lestari", "Randy Sarayar", "Valerie Josephine Dirjayanto" ]
2023-09-28 08:41:12
http://arxiv.org/abs/2309.16742v3
http://arxiv.org/pdf/2309.16742v3
2309.16742v3
Context-Based Tweet Engagement Prediction
Twitter is currently one of the biggest social media platforms. Its users may share, read, and engage with short posts called tweets. For the ACM Recommender Systems Conference 2020, Twitter published a dataset around 70 GB in size for the annual RecSys Challenge. In 2020, the RecSys Challenge invited participating teams to create models that would predict engagement likelihoods for given user-tweet combinations. The submitted models predicting like, reply, retweet, and quote engagements were evaluated based on two metrics: area under the precision-recall curve (PRAUC) and relative cross-entropy (RCE). In this diploma thesis, we used the RecSys 2020 Challenge dataset and evaluation procedure to investigate how well context alone may be used to predict tweet engagement likelihood. In doing so, we employed the Spark engine on TU Wien's Little Big Data Cluster to create scalable data preprocessing, feature engineering, feature selection, and machine learning pipelines. We manually created just under 200 additional features to describe tweet context. The results indicate that features describing users' prior engagement history and the popularity of hashtags and links in the tweet were the most informative. We also found that factors such as the prediction algorithm, training dataset size, training dataset sampling method, and feature selection significantly affect the results. After comparing the best results of our context-only prediction models with content-only models and with models developed by the Challenge winners, we identified that the context-based models underperformed in terms of the RCE score. This work thus concludes by situating this discrepancy and proposing potential improvements to our implementation, which is shared in a public git repository.
[ "Jovan Jeromela" ]
2023-09-28 08:36:57
http://arxiv.org/abs/2310.03147v1
http://arxiv.org/pdf/2310.03147v1
2310.03147v1
Beyond Reverse KL: Generalizing Direct Preference Optimization with Diverse Divergence Constraints
The increasing capabilities of large language models (LLMs) raise opportunities for artificial general intelligence but concurrently amplify safety concerns, such as potential misuse of AI systems, necessitating effective AI alignment. Reinforcement Learning from Human Feedback (RLHF) has emerged as a promising pathway towards AI alignment but brings forth challenges due to its complexity and dependence on a separate reward model. Direct Preference Optimization (DPO) has been proposed as an alternative, and it remains equivalent to RLHF under the reverse KL regularization constraint. This paper presents $f$-DPO, a generalized approach to DPO by incorporating diverse divergence constraints. We show that under certain $f$-divergences, including Jensen-Shannon divergence, forward KL divergences and $\alpha$-divergences, the complex relationship between the reward and optimal policy can also be simplified by addressing the Karush-Kuhn-Tucker conditions. This eliminates the need for estimating the normalizing constant in the Bradley-Terry model and enables a tractable mapping between the reward function and the optimal policy. Our approach optimizes LLMs to align with human preferences in a more efficient and supervised manner under a broad set of divergence constraints. Empirically, adopting these divergences ensures a balance between alignment performance and generation diversity. Importantly, $f$-DPO outperforms PPO-based methods in divergence efficiency, and divergence constraints directly influence expected calibration error (ECE).
[ "Chaoqi Wang", "Yibo Jiang", "Chenghao Yang", "Han Liu", "Yuxin Chen" ]
2023-09-28 08:29:44
http://arxiv.org/abs/2309.16240v1
http://arxiv.org/pdf/2309.16240v1
2309.16240v1
Language models in molecular discovery
The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models contribute to accelerating the molecule discovery cycle as evidenced by promising recent findings in early-stage drug discovery. Here, we review the role of language models in molecular discovery, underlining their strength in de novo drug design, property prediction and reaction chemistry. We highlight valuable open-source software assets thus lowering the entry barrier to the field of scientific language modeling. Last, we sketch a vision for future molecular design that combines a chatbot interface with access to computational chemistry tools. Our contribution serves as a valuable resource for researchers, chemists, and AI enthusiasts interested in understanding how language models can and will be used to accelerate chemical discovery.
[ "Nikita Janakarajan", "Tim Erdmann", "Sarath Swaminathan", "Teodoro Laino", "Jannis Born" ]
2023-09-28 08:19:54
http://arxiv.org/abs/2309.16235v1
http://arxiv.org/pdf/2309.16235v1
2309.16235v1
Multi-Modal Financial Time-Series Retrieval Through Latent Space Projections
Financial firms commonly process and store billions of time-series data, generated continuously and at a high frequency. To support efficient data storage and retrieval, specialized time-series databases and systems have emerged. These databases support indexing and querying of time-series by a constrained Structured Query Language(SQL)-like format to enable queries like "Stocks with monthly price returns greater than 5%", and expressed in rigid formats. However, such queries do not capture the intrinsic complexity of high dimensional time-series data, which can often be better described by images or language (e.g., "A stock in low volatility regime"). Moreover, the required storage, computational time, and retrieval complexity to search in the time-series space are often non-trivial. In this paper, we propose and demonstrate a framework to store multi-modal data for financial time-series in a lower-dimensional latent space using deep encoders, such that the latent space projections capture not only the time series trends but also other desirable information or properties of the financial time-series data (such as price volatility). Moreover, our approach allows user-friendly query interfaces, enabling natural language text or sketches of time-series, for which we have developed intuitive interfaces. We demonstrate the advantages of our method in terms of computational efficiency and accuracy on real historical data as well as synthetic data, and highlight the utility of latent-space projections in the storage and retrieval of financial time-series data with intuitive query modalities.
[ "Tom Bamford", "Andrea Coletta", "Elizabeth Fons", "Sriram Gopalakrishnan", "Svitlana Vyetrenko", "Tucker Balch", "Manuela Veloso" ]
2023-09-28 08:08:08
http://arxiv.org/abs/2309.16741v1
http://arxiv.org/pdf/2309.16741v1
2309.16741v1
GInX-Eval: Towards In-Distribution Evaluation of Graph Neural Network Explanations
Diverse explainability methods of graph neural networks (GNN) have recently been developed to highlight the edges and nodes in the graph that contribute the most to the model predictions. However, it is not clear yet how to evaluate the correctness of those explanations, whether it is from a human or a model perspective. One unaddressed bottleneck in the current evaluation procedure is the problem of out-of-distribution explanations, whose distribution differs from those of the training data. This important issue affects existing evaluation metrics such as the popular faithfulness or fidelity score. In this paper, we show the limitations of faithfulness metrics. We propose GInX-Eval (Graph In-distribution eXplanation Evaluation), an evaluation procedure of graph explanations that overcomes the pitfalls of faithfulness and offers new insights on explainability methods. Using a retraining strategy, the GInX score measures how informative removed edges are for the model and the EdgeRank score evaluates if explanatory edges are correctly ordered by their importance. GInX-Eval verifies if ground-truth explanations are instructive to the GNN model. In addition, it shows that many popular methods, including gradient-based methods, produce explanations that are not better than a random designation of edges as important subgraphs, challenging the findings of current works in the area. Results with GInX-Eval are consistent across multiple datasets and align with human evaluation.
[ "Kenza Amara", "Mennatallah El-Assady", "Rex Ying" ]
2023-09-28 07:56:10
http://arxiv.org/abs/2309.16223v1
http://arxiv.org/pdf/2309.16223v1
2309.16223v1
Unmasking the Chameleons: A Benchmark for Out-of-Distribution Detection in Medical Tabular Data
Despite their success, Machine Learning (ML) models do not generalize effectively to data not originating from the training distribution. To reliably employ ML models in real-world healthcare systems and avoid inaccurate predictions on out-of-distribution (OOD) data, it is crucial to detect OOD samples. Numerous OOD detection approaches have been suggested in other fields - especially in computer vision - but it remains unclear whether the challenge is resolved when dealing with medical tabular data. To answer this pressing need, we propose an extensive reproducible benchmark to compare different methods across a suite of tests including both near and far OODs. Our benchmark leverages the latest versions of eICU and MIMIC-IV, two public datasets encompassing tens of thousands of ICU patients in several hospitals. We consider a wide array of density-based methods and SOTA post-hoc detectors across diverse predictive architectures, including MLP, ResNet, and Transformer. Our findings show that i) the problem appears to be solved for far-OODs, but remains open for near-OODs; ii) post-hoc methods alone perform poorly, but improve substantially when coupled with distance-based mechanisms; iii) the transformer architecture is far less overconfident compared to MLP and ResNet.
[ "Mohammad Azizmalayeri", "Ameen Abu-Hanna", "Giovanni Ciná" ]
2023-09-28 07:52:01
http://arxiv.org/abs/2309.16220v1
http://arxiv.org/pdf/2309.16220v1
2309.16220v1
Abdominal multi-organ segmentation in CT using Swinunter
Abdominal multi-organ segmentation in computed tomography (CT) is crucial for many clinical applications including disease detection and treatment planning. Deep learning methods have shown unprecedented performance in this perspective. However, it is still quite challenging to accurately segment different organs utilizing a single network due to the vague boundaries of organs, the complex background, and the substantially different organ size scales. In this work we used make transformer-based model for training. It was found through previous years' competitions that basically all of the top 5 methods used CNN-based methods, which is likely due to the lack of data volume that prevents transformer-based methods from taking full advantage. The thousands of samples in this competition may enable the transformer-based model to have more excellent results. The results on the public validation set also show that the transformer-based model can achieve an acceptable result and inference time.
[ "Mingjin Chen", "Yongkang He", "Yongyi Lu" ]
2023-09-28 07:32:22
http://arxiv.org/abs/2309.16210v1
http://arxiv.org/pdf/2309.16210v1
2309.16210v1
Max-Sliced Mutual Information
Quantifying the dependence between high-dimensional random variables is central to statistical learning and inference. Two classical methods are canonical correlation analysis (CCA), which identifies maximally correlated projected versions of the original variables, and Shannon's mutual information, which is a universal dependence measure that also captures high-order dependencies. However, CCA only accounts for linear dependence, which may be insufficient for certain applications, while mutual information is often infeasible to compute/estimate in high dimensions. This work proposes a middle ground in the form of a scalable information-theoretic generalization of CCA, termed max-sliced mutual information (mSMI). mSMI equals the maximal mutual information between low-dimensional projections of the high-dimensional variables, which reduces back to CCA in the Gaussian case. It enjoys the best of both worlds: capturing intricate dependencies in the data while being amenable to fast computation and scalable estimation from samples. We show that mSMI retains favorable structural properties of Shannon's mutual information, like variational forms and identification of independence. We then study statistical estimation of mSMI, propose an efficiently computable neural estimator, and couple it with formal non-asymptotic error bounds. We present experiments that demonstrate the utility of mSMI for several tasks, encompassing independence testing, multi-view representation learning, algorithmic fairness, and generative modeling. We observe that mSMI consistently outperforms competing methods with little-to-no computational overhead.
[ "Dor Tsur", "Ziv Goldfeld", "Kristjan Greenewald" ]
2023-09-28 06:49:25
http://arxiv.org/abs/2309.16200v1
http://arxiv.org/pdf/2309.16200v1
2309.16200v1
Pushing Large Language Models to the 6G Edge: Vision, Challenges, and Opportunities
Large language models (LLMs), which have shown remarkable capabilities, are revolutionizing AI development and potentially shaping our future. However, given their multimodality, the status quo cloud-based deployment faces some critical challenges: 1) long response time; 2) high bandwidth costs; and 3) the violation of data privacy. 6G mobile edge computing (MEC) systems may resolve these pressing issues. In this article, we explore the potential of deploying LLMs at the 6G edge. We start by introducing killer applications powered by multimodal LLMs, including robotics and healthcare, to highlight the need for deploying LLMs in the vicinity of end users. Then, we identify the critical challenges for LLM deployment at the edge and envision the 6G MEC architecture for LLMs. Furthermore, we delve into two design aspects, i.e., edge training and edge inference for LLMs. In both aspects, considering the inherent resource limitations at the edge, we discuss various cutting-edge techniques, including split learning/inference, parameter-efficient fine-tuning, quantization, and parameter-sharing inference, to facilitate the efficient deployment of LLMs. This article serves as a position paper for thoroughly identifying the motivation, challenges, and pathway for empowering LLMs at the 6G edge.
[ "Zheng Lin", "Guanqiao Qu", "Qiyuan Chen", "Xianhao Chen", "Zhe Chen", "Kaibin Huang" ]
2023-09-28 06:22:59
http://arxiv.org/abs/2309.16739v1
http://arxiv.org/pdf/2309.16739v1
2309.16739v1
Stackelberg Batch Policy Learning
Batch reinforcement learning (RL) defines the task of learning from a fixed batch of data lacking exhaustive exploration. Worst-case optimality algorithms, which calibrate a value-function model class from logged experience and perform some type of pessimistic evaluation under the learned model, have emerged as a promising paradigm for batch RL. However, contemporary works on this stream have commonly overlooked the hierarchical decision-making structure hidden in the optimization landscape. In this paper, we adopt a game-theoretical viewpoint and model the policy learning diagram as a two-player general-sum game with a leader-follower structure. We propose a novel stochastic gradient-based learning algorithm: StackelbergLearner, in which the leader player updates according to the total derivative of its objective instead of the usual individual gradient, and the follower player makes individual updates and ensures transition-consistent pessimistic reasoning. The derived learning dynamic naturally lends StackelbergLearner to a game-theoretic interpretation and provides a convergence guarantee to differentiable Stackelberg equilibria. From a theoretical standpoint, we provide instance-dependent regret bounds with general function approximation, which shows that our algorithm can learn a best-effort policy that is able to compete against any comparator policy that is covered by batch data. Notably, our theoretical regret guarantees only require realizability without any data coverage and strong function approximation conditions, e.g., Bellman closedness, which is in contrast to prior works lacking such guarantees. Through comprehensive experiments, we find that our algorithm consistently performs as well or better as compared to state-of-the-art methods in batch RL benchmark and real-world datasets.
[ "Wenzhuo Zhou", "Annie Qu" ]
2023-09-28 06:18:34
http://arxiv.org/abs/2309.16188v2
http://arxiv.org/pdf/2309.16188v2
2309.16188v2
Systematic Sampling and Validation of Machine Learning-Parameterizations in Climate Models
Progress in hybrid physics-machine learning (ML) climate simulations has been limited by the difficulty of obtaining performant coupled (i.e. online) simulations. While evaluating hundreds of ML parameterizations of subgrid closures (here of convection and radiation) offline is straightforward, online evaluation at the same scale is technically challenging. Our software automation achieves an order-of-magnitude larger sampling of online modeling errors than has previously been examined. Using this, we evaluate the hybrid climate model performance and define strategies to improve it. We show that model online performance improves when incorporating memory, a relative humidity input feature transformation, and additional input variables. We also reveal substantial variation in online error and inconsistencies between offline vs. online error statistics. The implication is that hundreds of candidate ML models should be evaluated online to detect the effects of parameterization design choices. This is considerably more sampling than tends to be reported in the current literature.
[ "Jerry Lin", "Sungduk Yu", "Tom Beucler", "Pierre Gentine", "David Walling", "Mike Pritchard" ]
2023-09-28 05:34:29
http://arxiv.org/abs/2309.16177v1
http://arxiv.org/pdf/2309.16177v1
2309.16177v1
Using Weak Supervision and Data Augmentation in Question Answering
The onset of the COVID-19 pandemic accentuated the need for access to biomedical literature to answer timely and disease-specific questions. During the early days of the pandemic, one of the biggest challenges we faced was the lack of peer-reviewed biomedical articles on COVID-19 that could be used to train machine learning models for question answering (QA). In this paper, we explore the roles weak supervision and data augmentation play in training deep neural network QA models. First, we investigate whether labels generated automatically from the structured abstracts of scholarly papers using an information retrieval algorithm, BM25, provide a weak supervision signal to train an extractive QA model. We also curate new QA pairs using information retrieval techniques, guided by the clinicaltrials.gov schema and the structured abstracts of articles, in the absence of annotated data from biomedical domain experts. Furthermore, we explore augmenting the training data of a deep neural network model with linguistic features from external sources such as lexical databases to account for variations in word morphology and meaning. To better utilize our training data, we apply curriculum learning to domain adaptation, fine-tuning our QA model in stages based on characteristics of the QA pairs. We evaluate our methods in the context of QA models at the core of a system to answer questions about COVID-19.
[ "Chumki Basu", "Himanshu Garg", "Allen McIntosh", "Sezai Sablak", "John R. Wullert II" ]
2023-09-28 05:16:51
http://arxiv.org/abs/2309.16175v1
http://arxiv.org/pdf/2309.16175v1
2309.16175v1
Distill to Delete: Unlearning in Graph Networks with Knowledge Distillation
Graph unlearning has emerged as a pivotal method to delete information from a pre-trained graph neural network (GNN). One may delete nodes, a class of nodes, edges, or a class of edges. An unlearning method enables the GNN model to comply with data protection regulations (i.e., the right to be forgotten), adapt to evolving data distributions, and reduce the GPU-hours carbon footprint by avoiding repetitive retraining. Existing partitioning and aggregation-based methods have limitations due to their poor handling of local graph dependencies and additional overhead costs. More recently, GNNDelete offered a model-agnostic approach that alleviates some of these issues. Our work takes a novel approach to address these challenges in graph unlearning through knowledge distillation, as it distills to delete in GNN (D2DGN). It is a model-agnostic distillation framework where the complete graph knowledge is divided and marked for retention and deletion. It performs distillation with response-based soft targets and feature-based node embedding while minimizing KL divergence. The unlearned model effectively removes the influence of deleted graph elements while preserving knowledge about the retained graph elements. D2DGN surpasses the performance of existing methods when evaluated on various real-world graph datasets by up to $43.1\%$ (AUC) in edge and node unlearning tasks. Other notable advantages include better efficiency, better performance in removing target elements, preservation of performance for the retained elements, and zero overhead costs. Notably, our D2DGN surpasses the state-of-the-art GNNDelete in AUC by $2.4\%$, improves membership inference ratio by $+1.3$, requires $10.2\times10^6$ fewer FLOPs per forward pass and up to $\mathbf{3.2}\times$ faster.
[ "Yash Sinha", "Murari Mandal", "Mohan Kankanhalli" ]
2023-09-28 05:09:14
http://arxiv.org/abs/2309.16173v1
http://arxiv.org/pdf/2309.16173v1
2309.16173v1
The Trickle-down Impact of Reward (In-)consistency on RLHF
Standard practice within Reinforcement Learning from Human Feedback (RLHF) involves optimizing against a Reward Model (RM), which itself is trained to reflect human preferences for desirable generations. A notable subject that is understudied is the (in-)consistency of RMs -- whether they can recognize the semantic changes to different prompts and appropriately adapt their reward assignments -- and their impact on the downstream RLHF model. In this paper, we visit a series of research questions relevant to RM inconsistency: (1) How can we measure the consistency of reward models? (2) How consistent are the existing RMs and how can we improve them? (3) In what ways does reward inconsistency influence the chatbots resulting from the RLHF model training? We propose Contrast Instructions -- a benchmarking strategy for the consistency of RM. Each example in Contrast Instructions features a pair of lexically similar instructions with different ground truth responses. A consistent RM is expected to rank the corresponding instruction and response higher than other combinations. We observe that current RMs trained with the standard ranking objective fail miserably on Contrast Instructions compared to average humans. To show that RM consistency can be improved efficiently without using extra training budget, we propose two techniques ConvexDA and RewardFusion, which enhance reward consistency through extrapolation during the RM training and inference stage, respectively. We show that RLHF models trained with a more consistent RM yield more useful responses, suggesting that reward inconsistency exhibits a trickle-down effect on the downstream RLHF process.
[ "Lingfeng Shen", "Sihao Chen", "Linfeng Song", "Lifeng Jin", "Baolin Peng", "Haitao Mi", "Daniel Khashabi", "Dong Yu" ]
2023-09-28 04:05:13
http://arxiv.org/abs/2309.16155v1
http://arxiv.org/pdf/2309.16155v1
2309.16155v1
Generative Semi-supervised Learning with Meta-Optimized Synthetic Samples
Semi-supervised learning (SSL) is a promising approach for training deep classification models using labeled and unlabeled datasets. However, existing SSL methods rely on a large unlabeled dataset, which may not always be available in many real-world applications due to legal constraints (e.g., GDPR). In this paper, we investigate the research question: Can we train SSL models without real unlabeled datasets? Instead of using real unlabeled datasets, we propose an SSL method using synthetic datasets generated from generative foundation models trained on datasets containing millions of samples in diverse domains (e.g., ImageNet). Our main concepts are identifying synthetic samples that emulate unlabeled samples from generative foundation models and training classifiers using these synthetic samples. To achieve this, our method is formulated as an alternating optimization problem: (i) meta-learning of generative foundation models and (ii) SSL of classifiers using real labeled and synthetic unlabeled samples. For (i), we propose a meta-learning objective that optimizes latent variables to generate samples that resemble real labeled samples and minimize the validation loss. For (ii), we propose a simple unsupervised loss function that regularizes the feature extractors of classifiers to maximize the performance improvement obtained from synthetic samples. We confirm that our method outperforms baselines using generative foundation models on SSL. We also demonstrate that our methods outperform SSL using real unlabeled datasets in scenarios with extremely small amounts of labeled datasets. This suggests that synthetic samples have the potential to provide improvement gains more efficiently than real unlabeled data.
[ "Shin'ya Yamaguchi" ]
2023-09-28 03:47:26
http://arxiv.org/abs/2309.16143v1
http://arxiv.org/pdf/2309.16143v1
2309.16143v1
Two-Step Active Learning for Instance Segmentation with Uncertainty and Diversity Sampling
Training high-quality instance segmentation models requires an abundance of labeled images with instance masks and classifications, which is often expensive to procure. Active learning addresses this challenge by striving for optimum performance with minimal labeling cost by selecting the most informative and representative images for labeling. Despite its potential, active learning has been less explored in instance segmentation compared to other tasks like image classification, which require less labeling. In this study, we propose a post-hoc active learning algorithm that integrates uncertainty-based sampling with diversity-based sampling. Our proposed algorithm is not only simple and easy to implement, but it also delivers superior performance on various datasets. Its practical application is demonstrated on a real-world overhead imagery dataset, where it increases the labeling efficiency fivefold.
[ "Ke Yu", "Stephen Albro", "Giulia DeSalvo", "Suraj Kothawade", "Abdullah Rashwan", "Sasan Tavakkol", "Kayhan Batmanghelich", "Xiaoqi Yin" ]
2023-09-28 03:40:30
http://arxiv.org/abs/2309.16139v1
http://arxiv.org/pdf/2309.16139v1
2309.16139v1
A Spectral Approach for Learning Spatiotemporal Neural Differential Equations
Rapidly developing machine learning methods has stimulated research interest in computationally reconstructing differential equations (DEs) from observational data which may provide additional insight into underlying causative mechanisms. In this paper, we propose a novel neural-ODE based method that uses spectral expansions in space to learn spatiotemporal DEs. The major advantage of our spectral neural DE learning approach is that it does not rely on spatial discretization, thus allowing the target spatiotemporal equations to contain long range, nonlocal spatial interactions that act on unbounded spatial domains. Our spectral approach is shown to be as accurate as some of the latest machine learning approaches for learning PDEs operating on bounded domains. By developing a spectral framework for learning both PDEs and integro-differential equations, we extend machine learning methods to apply to unbounded DEs and a larger class of problems.
[ "Mingtao Xia", "Xiangting Li", "Qijing Shen", "Tom Chou" ]
2023-09-28 03:22:49
http://arxiv.org/abs/2309.16131v1
http://arxiv.org/pdf/2309.16131v1
2309.16131v1
ModuLoRA: Finetuning 3-Bit LLMs on Consumer GPUs by Integrating with Modular Quantizers
We propose a memory-efficient finetuning algorithm for large language models (LLMs) that supports finetuning LLMs with 65B parameters in 3-bit or 4-bit precision on as little as one 48GB GPU. Our method, modular low-rank adaptation (ModuLoRA), integrates any user-specified weight quantizer with finetuning via low-rank adapters (LoRAs). Our approach relies on a simple quantization-agnostic backward pass that adaptively materializes low-precision LLM weights from a custom black-box quantization module. This approach enables finetuning 3-bit LLMs for the first time--leveraging state-of-the-art 3-bit OPTQ quantization often outperforms finetuning that relies on less sophisticated 4-bit and 8-bit methods. In our experiments, ModuLoRA attains competitive performance on text classification, natural language infernece, and instruction following tasks using significantly less memory than existing approaches, and we also surpass the state-of-the-art ROUGE score on a popular summarization task. We release ModuLoRA together with a series of low-precision models--including the first family of 3-bit instruction following Alpaca LLMs--as part of LLMTOOLS, a user-friendly library for quantizing, running, and finetuning LLMs on consumer GPUs.
[ "Junjie Yin", "Jiahao Dong", "Yingheng Wang", "Christopher De Sa", "Volodymyr Kuleshov" ]
2023-09-28 02:55:01
http://arxiv.org/abs/2309.16119v1
http://arxiv.org/pdf/2309.16119v1
2309.16119v1
D$^3$Fields: Dynamic 3D Descriptor Fields for Zero-Shot Generalizable Robotic Manipulation
Scene representation has been a crucial design choice in robotic manipulation systems. An ideal representation should be 3D, dynamic, and semantic to meet the demands of diverse manipulation tasks. However, previous works often lack all three properties simultaneously. In this work, we introduce D$^3$Fields - dynamic 3D descriptor fields. These fields capture the dynamics of the underlying 3D environment and encode both semantic features and instance masks. Specifically, we project arbitrary 3D points in the workspace onto multi-view 2D visual observations and interpolate features derived from foundational models. The resulting fused descriptor fields allow for flexible goal specifications using 2D images with varied contexts, styles, and instances. To evaluate the effectiveness of these descriptor fields, we apply our representation to a wide range of robotic manipulation tasks in a zero-shot manner. Through extensive evaluation in both real-world scenarios and simulations, we demonstrate that D$^3$Fields are both generalizable and effective for zero-shot robotic manipulation tasks. In quantitative comparisons with state-of-the-art dense descriptors, such as Dense Object Nets and DINO, D$^3$Fields exhibit significantly better generalization abilities and manipulation accuracy.
[ "Yixuan Wang", "Zhuoran Li", "Mingtong Zhang", "Katherine Driggs-Campbell", "Jiajun Wu", "Li Fei-Fei", "Yunzhu Li" ]
2023-09-28 02:50:16
http://arxiv.org/abs/2309.16118v2
http://arxiv.org/pdf/2309.16118v2
2309.16118v2
E2Net: Resource-Efficient Continual Learning with Elastic Expansion Network
Continual Learning methods are designed to learn new tasks without erasing previous knowledge. However, Continual Learning often requires massive computational power and storage capacity for satisfactory performance. In this paper, we propose a resource-efficient continual learning method called the Elastic Expansion Network (E2Net). Leveraging core subnet distillation and precise replay sample selection, E2Net achieves superior average accuracy and diminished forgetting within the same computational and storage constraints, all while minimizing processing time. In E2Net, we propose Representative Network Distillation to identify the representative core subnet by assessing parameter quantity and output similarity with the working network, distilling analogous subnets within the working network to mitigate reliance on rehearsal buffers and facilitating knowledge transfer across previous tasks. To enhance storage resource utilization, we then propose Subnet Constraint Experience Replay to optimize rehearsal efficiency through a sample storage strategy based on the structures of representative networks. Extensive experiments conducted predominantly on cloud environments with diverse datasets and also spanning the edge environment demonstrate that E2Net consistently outperforms state-of-the-art methods. In addition, our method outperforms competitors in terms of both storage and computational requirements.
[ "RuiQi Liu", "Boyu Diao", "Libo Huang", "Zhulin An", "Yongjun Xu" ]
2023-09-28 02:48:13
http://arxiv.org/abs/2309.16117v1
http://arxiv.org/pdf/2309.16117v1
2309.16117v1
Compositional Sculpting of Iterative Generative Processes
High training costs of generative models and the need to fine-tune them for specific tasks have created a strong interest in model reuse and composition. A key challenge in composing iterative generative processes, such as GFlowNets and diffusion models, is that to realize the desired target distribution, all steps of the generative process need to be coordinated, and satisfy delicate balance conditions. In this work, we propose Compositional Sculpting: a general approach for defining compositions of iterative generative processes. We then introduce a method for sampling from these compositions built on classifier guidance. We showcase ways to accomplish compositional sculpting in both GFlowNets and diffusion models. We highlight two binary operations $\unicode{x2014}$ the harmonic mean ($p_1 \otimes p_2$) and the contrast ($p_1 \unicode{x25D1}\,p_2$) between pairs, and the generalization of these operations to multiple component distributions. We offer empirical results on image and molecular generation tasks.
[ "Timur Garipov", "Sebastiaan De Peuter", "Ge Yang", "Vikas Garg", "Samuel Kaski", "Tommi Jaakkola" ]
2023-09-28 02:46:53
http://arxiv.org/abs/2309.16115v1
http://arxiv.org/pdf/2309.16115v1
2309.16115v1
Comparing Active Learning Performance Driven by Gaussian Processes or Bayesian Neural Networks for Constrained Trajectory Exploration
Robots with increasing autonomy progress our space exploration capabilities, particularly for in-situ exploration and sampling to stand in for human explorers. Currently, humans drive robots to meet scientific objectives, but depending on the robot's location, the exchange of information and driving commands between the human operator and robot may cause undue delays in mission fulfillment. An autonomous robot encoded with a scientific objective and an exploration strategy incurs no communication delays and can fulfill missions more quickly. Active learning algorithms offer this capability of intelligent exploration, but the underlying model structure varies the performance of the active learning algorithm in accurately forming an understanding of the environment. In this paper, we investigate the performance differences between active learning algorithms driven by Gaussian processes or Bayesian neural networks for exploration strategies encoded on agents that are constrained in their trajectories, like planetary surface rovers. These two active learning strategies were tested in a simulation environment against science-blind strategies to predict the spatial distribution of a variable of interest along multiple datasets. The performance metrics of interest are model accuracy in root mean squared (RMS) error, training time, model convergence, total distance traveled until convergence, and total samples until convergence. Active learning strategies encoded with Gaussian processes require less computation to train, converge to an accurate model more quickly, and propose trajectories of shorter distance, except in a few complex environments in which Bayesian neural networks achieve a more accurate model in the large data regime due to their more expressive functional bases. The paper concludes with advice on when and how to implement either exploration strategy for future space missions.
[ "Sapphira Akins", "Frances Zhu" ]
2023-09-28 02:45:14
http://arxiv.org/abs/2309.16114v1
http://arxiv.org/pdf/2309.16114v1
2309.16114v1
Feature Normalization Prevents Collapse of Non-contrastive Learning Dynamics
Contrastive learning is a self-supervised representation learning framework, where two positive views generated through data augmentation are made similar by an attraction force in a data representation space, while a repulsive force makes them far from negative examples. Non-contrastive learning, represented by BYOL and SimSiam, further gets rid of negative examples and improves computational efficiency. While learned representations may collapse into a single point due to the lack of the repulsive force at first sight, Tian et al. (2021) revealed through the learning dynamics analysis that the representations can avoid collapse if data augmentation is sufficiently stronger than regularization. However, their analysis does not take into account commonly-used feature normalization, a normalizer before measuring the similarity of representations, and hence excessively strong regularization may collapse the dynamics, which is an unnatural behavior under the presence of feature normalization. Therefore, we extend the previous theory based on the L2 loss by considering the cosine loss, which involves feature normalization. We show that the cosine loss induces sixth-order dynamics (while the L2 loss induces a third-order one), in which a stable equilibrium dynamically emerges even if there are only collapsed solutions with given initial parameters. Thus, we offer a new understanding that feature normalization plays an important role in robustly preventing the dynamics collapse.
[ "Han Bao" ]
2023-09-28 02:23:32
http://arxiv.org/abs/2309.16109v1
http://arxiv.org/pdf/2309.16109v1
2309.16109v1
Channel Vision Transformers: An Image Is Worth C x 16 x 16 Words
Vision Transformer (ViT) has emerged as a powerful architecture in the realm of modern computer vision. However, its application in certain imaging fields, such as microscopy and satellite imaging, presents unique challenges. In these domains, images often contain multiple channels, each carrying semantically distinct and independent information. Furthermore, the model must demonstrate robustness to sparsity in input channels, as they may not be densely available during training or testing. In this paper, we propose a modification to the ViT architecture that enhances reasoning across the input channels and introduce Hierarchical Channel Sampling (HCS) as an additional regularization technique to ensure robustness when only partial channels are presented during test time. Our proposed model, ChannelViT, constructs patch tokens independently from each input channel and utilizes a learnable channel embedding that is added to the patch tokens, similar to positional embeddings. We evaluate the performance of ChannelViT on ImageNet, JUMP-CP (microscopy cell imaging), and So2Sat (satellite imaging). Our results show that ChannelViT outperforms ViT on classification tasks and generalizes well, even when a subset of input channels is used during testing. Across our experiments, HCS proves to be a powerful regularizer, independent of the architecture employed, suggesting itself as a straightforward technique for robust ViT training. Lastly, we find that ChannelViT generalizes effectively even when there is limited access to all channels during training, highlighting its potential for multi-channel imaging under real-world conditions with sparse sensors. Our code is available at https://github.com/insitro/ChannelViT.
[ "Yujia Bao", "Srinivasan Sivanandan", "Theofanis Karaletsos" ]
2023-09-28 02:20:59
http://arxiv.org/abs/2309.16108v3
http://arxiv.org/pdf/2309.16108v3
2309.16108v3
Differentially Private Secure Multiplication: Hiding Information in the Rubble of Noise
We consider the problem of private distributed multi-party multiplication. It is well-established that Shamir secret-sharing coding strategies can enable perfect information-theoretic privacy in distributed computation via the celebrated algorithm of Ben Or, Goldwasser and Wigderson (the "BGW algorithm"). However, perfect privacy and accuracy require an honest majority, that is, $N \geq 2t+1$ compute nodes are required to ensure privacy against any $t$ colluding adversarial nodes. By allowing for some controlled amount of information leakage and approximate multiplication instead of exact multiplication, we study coding schemes for the setting where the number of honest nodes can be a minority, that is $N< 2t+1.$ We develop a tight characterization privacy-accuracy trade-off for cases where $N < 2t+1$ by measuring information leakage using {differential} privacy instead of perfect privacy, and using the mean squared error metric for accuracy. A novel technical aspect is an intricately layered noise distribution that merges ideas from differential privacy and Shamir secret-sharing at different layers.
[ "Viveck R. Cadambe", "Ateet Devulapalli", "Haewon Jeong", "Flavio P. Calmon" ]
2023-09-28 02:13:13
http://arxiv.org/abs/2309.16105v1
http://arxiv.org/pdf/2309.16105v1
2309.16105v1
Adversarial Examples Might be Avoidable: The Role of Data Concentration in Adversarial Robustness
The susceptibility of modern machine learning classifiers to adversarial examples has motivated theoretical results suggesting that these might be unavoidable. However, these results can be too general to be applicable to natural data distributions. Indeed, humans are quite robust for tasks involving vision. This apparent conflict motivates a deeper dive into the question: Are adversarial examples truly unavoidable? In this work, we theoretically demonstrate that a key property of the data distribution -- concentration on small-volume subsets of the input space -- determines whether a robust classifier exists. We further demonstrate that, for a data distribution concentrated on a union of low-dimensional linear subspaces, exploiting data structure naturally leads to classifiers that enjoy good robustness guarantees, improving upon methods for provable certification in certain regimes.
[ "Ambar Pal", "Jeremias Sulam", "René Vidal" ]
2023-09-28 01:39:47
http://arxiv.org/abs/2309.16096v1
http://arxiv.org/pdf/2309.16096v1
2309.16096v1
AI Potentiality and Awareness: A Position Paper from the Perspective of Human-AI Teaming in Cybersecurity
This position paper explores the broad landscape of AI potentiality in the context of cybersecurity, with a particular emphasis on its possible risk factors with awareness, which can be managed by incorporating human experts in the loop, i.e., "Human-AI" teaming. As artificial intelligence (AI) technologies advance, they will provide unparalleled opportunities for attack identification, incident response, and recovery. However, the successful deployment of AI into cybersecurity measures necessitates an in-depth understanding of its capabilities, challenges, and ethical and legal implications to handle associated risk factors in real-world application areas. Towards this, we emphasize the importance of a balanced approach that incorporates AI's computational power with human expertise. AI systems may proactively discover vulnerabilities and detect anomalies through pattern recognition, and predictive modeling, significantly enhancing speed and accuracy. Human experts can explain AI-generated decisions to stakeholders, regulators, and end-users in critical situations, ensuring responsibility and accountability, which helps establish trust in AI-driven security solutions. Therefore, in this position paper, we argue that human-AI teaming is worthwhile in cybersecurity, in which human expertise such as intuition, critical thinking, or contextual understanding is combined with AI's computational power to improve overall cyber defenses.
[ "Iqbal H. Sarker", "Helge Janicke", "Nazeeruddin Mohammad", "Paul Watters", "Surya Nepal" ]
2023-09-28 01:20:44
http://arxiv.org/abs/2310.12162v1
http://arxiv.org/pdf/2310.12162v1
2310.12162v1
Task-Oriented Koopman-Based Control with Contrastive Encoder
We present task-oriented Koopman-based control that utilizes end-to-end reinforcement learning and contrastive encoder to simultaneously learn the Koopman latent embedding, operator and associated linear controller within an iterative loop. By prioritizing the task cost as main objective for controller learning, we reduce the reliance of controller design on a well-identified model, which extends Koopman control beyond low-dimensional systems to high-dimensional, complex nonlinear systems, including pixel-based scenarios.
[ "Xubo Lyu", "Hanyang Hu", "Seth Siriya", "Ye Pu", "Mo Chen" ]
2023-09-28 00:27:07
http://arxiv.org/abs/2309.16077v1
http://arxiv.org/pdf/2309.16077v1
2309.16077v1
Infer and Adapt: Bipedal Locomotion Reward Learning from Demonstrations via Inverse Reinforcement Learning
Enabling bipedal walking robots to learn how to maneuver over highly uneven, dynamically changing terrains is challenging due to the complexity of robot dynamics and interacted environments. Recent advancements in learning from demonstrations have shown promising results for robot learning in complex environments. While imitation learning of expert policies has been well-explored, the study of learning expert reward functions is largely under-explored in legged locomotion. This paper brings state-of-the-art Inverse Reinforcement Learning (IRL) techniques to solving bipedal locomotion problems over complex terrains. We propose algorithms for learning expert reward functions, and we subsequently analyze the learned functions. Through nonlinear function approximation, we uncover meaningful insights into the expert's locomotion strategies. Furthermore, we empirically demonstrate that training a bipedal locomotion policy with the inferred reward functions enhances its walking performance on unseen terrains, highlighting the adaptability offered by reward learning.
[ "Feiyang Wu", "Zhaoyuan Gu", "Hanran Wu", "Anqi Wu", "Ye Zhao" ]
2023-09-28 00:11:06
http://arxiv.org/abs/2309.16074v1
http://arxiv.org/pdf/2309.16074v1
2309.16074v1
Label Augmentation Method for Medical Landmark Detection in Hip Radiograph Images
This work reports the empirical performance of an automated medical landmark detection method for predict clinical markers in hip radiograph images. Notably, the detection method was trained using a label-only augmentation scheme; our results indicate that this form of augmentation outperforms traditional data augmentation and produces highly sample efficient estimators. We train a generic U-Net-based architecture under a curriculum consisting of two phases: initially relaxing the landmarking task by enlarging the label points to regions, then gradually eroding these label regions back to the base task. We measure the benefits of this approach on six datasets of radiographs with gold-standard expert annotations.
[ "Yehyun Suh", "Peter Chan", "J. Ryan Martin", "Daniel Moyer" ]
2023-09-27 23:17:58
http://arxiv.org/abs/2309.16066v1
http://arxiv.org/pdf/2309.16066v1
2309.16066v1
Masked autoencoders are scalable learners of cellular morphology
Inferring biological relationships from cellular phenotypes in high-content microscopy screens provides significant opportunity and challenge in biological research. Prior results have shown that deep vision models can capture biological signal better than hand-crafted features. This work explores how weakly supervised and self-supervised deep learning approaches scale when training larger models on larger datasets. Our results show that both CNN- and ViT-based masked autoencoders significantly outperform weakly supervised models. At the high-end of our scale, a ViT-L/8 trained on over 3.5-billion unique crops sampled from 95-million microscopy images achieves relative improvements as high as 28% over our best weakly supervised models at inferring known biological relationships curated from public databases.
[ "Oren Kraus", "Kian Kenyon-Dean", "Saber Saberian", "Maryam Fallah", "Peter McLean", "Jess Leung", "Vasudev Sharma", "Ayla Khan", "Jia Balakrishnan", "Safiye Celik", "Maciej Sypetkowski", "Chi Vicky Cheng", "Kristen Morse", "Maureen Makes", "Ben Mabey", "Berton Earnshaw" ]
2023-09-27 23:11:35
http://arxiv.org/abs/2309.16064v1
http://arxiv.org/pdf/2309.16064v1
2309.16064v1
Predicting Cardiovascular Complications in Post-COVID-19 Patients Using Data-Driven Machine Learning Models
The COVID-19 pandemic has globally posed numerous health challenges, notably the emergence of post-COVID-19 cardiovascular complications. This study addresses this by utilizing data-driven machine learning models to predict such complications in 352 post-COVID-19 patients from Iraq. Clinical data, including demographics, comorbidities, lab results, and imaging, were collected and used to construct predictive models. These models, leveraging various machine learning algorithms, demonstrated commendable performance in identifying patients at risk. Early detection through these models promises timely interventions and improved outcomes. In conclusion, this research underscores the potential of data-driven machine learning for predicting post-COVID-19 cardiovascular complications, emphasizing the need for continued validation and research in diverse clinical settings.
[ "Maitham G. Yousif", "Hector J. Castro" ]
2023-09-27 22:52:08
http://arxiv.org/abs/2309.16059v1
http://arxiv.org/pdf/2309.16059v1
2309.16059v1
AnyMAL: An Efficient and Scalable Any-Modality Augmented Language Model
We present Any-Modality Augmented Language Model (AnyMAL), a unified model that reasons over diverse input modality signals (i.e. text, image, video, audio, IMU motion sensor), and generates textual responses. AnyMAL inherits the powerful text-based reasoning abilities of the state-of-the-art LLMs including LLaMA-2 (70B), and converts modality-specific signals to the joint textual space through a pre-trained aligner module. To further strengthen the multimodal LLM's capabilities, we fine-tune the model with a multimodal instruction set manually collected to cover diverse topics and tasks beyond simple QAs. We conduct comprehensive empirical analysis comprising both human and automatic evaluations, and demonstrate state-of-the-art performance on various multimodal tasks.
[ "Seungwhan Moon", "Andrea Madotto", "Zhaojiang Lin", "Tushar Nagarajan", "Matt Smith", "Shashank Jain", "Chun-Fu Yeh", "Prakash Murugesan", "Peyman Heidari", "Yue Liu", "Kavya Srinet", "Babak Damavandi", "Anuj Kumar" ]
2023-09-27 22:50:51
http://arxiv.org/abs/2309.16058v1
http://arxiv.org/pdf/2309.16058v1
2309.16058v1
Machine Learning-driven Analysis of Gastrointestinal Symptoms in Post-COVID-19 Patients
The COVID-19 pandemic, caused by the novel coronavirus SARS-CoV-2, has posed significant health challenges worldwide. While respiratory symptoms have been the primary focus, emerging evidence has highlighted the impact of COVID-19 on various organ systems, including the gastrointestinal (GI) tract. This study, based on data from 913 post-COVID-19 patients in Iraq collected during 2022 and 2023, investigates the prevalence and patterns of GI symptoms in individuals recovering from COVID-19 and leverages machine learning algorithms to identify predictive factors for these symptoms. The research findings reveal that a notable percentage of post-COVID-19 patients experience GI symptoms during their recovery phase. Diarrhea emerged as the most frequently reported symptom, followed by abdominal pain and nausea. Machine learning analysis uncovered significant predictive factors for GI symptoms, including age, gender, disease severity, comorbidities, and the duration of COVID-19 illness. These findings underscore the importance of monitoring and addressing GI symptoms in post-COVID-19 care, with machine learning offering valuable tools for early identification and personalized intervention. This study contributes to the understanding of the long-term consequences of COVID-19 on GI health and emphasizes the potential benefits of utilizing machine learning-driven analysis in predicting and managing these symptoms. Further research is warranted to delve into the mechanisms underlying GI symptoms in COVID-19 survivors and to develop targeted interventions for symptom management. Keywords: COVID-19, gastrointestinal symptoms, machine learning, predictive factors, post-COVID-19 care, long COVID.
[ "Maitham G. Yousif", "Fadhil G. Al-Amran", "Salman Rawaf", "Mohammad Abdulla Grmt" ]
2023-09-27 22:34:19
http://arxiv.org/abs/2310.00540v1
http://arxiv.org/pdf/2310.00540v1
2310.00540v1
Identifying Risk Factors for Post-COVID-19 Mental Health Disorders: A Machine Learning Perspective
In this study, we leveraged machine learning techniques to identify risk factors associated with post-COVID-19 mental health disorders. Our analysis, based on data collected from 669 patients across various provinces in Iraq, yielded valuable insights. We found that age, gender, and geographical region of residence were significant demographic factors influencing the likelihood of developing mental health disorders in post-COVID-19 patients. Additionally, comorbidities and the severity of COVID-19 illness were important clinical predictors. Psychosocial factors, such as social support, coping strategies, and perceived stress levels, also played a substantial role. Our findings emphasize the complex interplay of multiple factors in the development of mental health disorders following COVID-19 recovery. Healthcare providers and policymakers should consider these risk factors when designing targeted interventions and support systems for individuals at risk. Machine learning-based approaches can provide a valuable tool for predicting and preventing adverse mental health outcomes in post-COVID-19 patients. Further research and prospective studies are needed to validate these findings and enhance our understanding of the long-term psychological impact of the COVID-19 pandemic. This study contributes to the growing body of knowledge regarding the mental health consequences of the COVID-19 pandemic and underscores the importance of a multidisciplinary approach to address the diverse needs of individuals on the path to recovery. Keywords: COVID-19, mental health, risk factors, machine learning, Iraq
[ "Maitham G. Yousif", "Fadhil G. Al-Amran", "Hector J. Castro" ]
2023-09-27 22:30:11
http://arxiv.org/abs/2309.16055v1
http://arxiv.org/pdf/2309.16055v1
2309.16055v1
Cognizance of Post-COVID-19 Multi-Organ Dysfunction through Machine Learning Analysis
In the year 2022, a total of 466 patients from various cities across Iraq were included in this study. This research paper focuses on the application of machine learning techniques to analyse and predict multi-organ dysfunction in individuals experiencing Post-COVID-19 Syndrome, commonly known as Long COVID. Post-COVID-19 Syndrome presents a wide array of persistent symptoms affecting various organ systems, posing a significant challenge to healthcare. Leveraging the power of artificial intelligence, this study aims to enhance early detection and management of this complex condition. The paper outlines the importance of data collection and preprocessing, feature selection and engineering, model development and validation, and ethical considerations in conducting research in this field. By improving our understanding of Post-COVID-19 Syndrome through machine learning, healthcare providers can identify at-risk individuals and offer timely interventions, potentially improving patient outcomes and quality of life. Further research is essential to refine models, validate their clinical utility, and explore treatment options for Long COVID. Keywords: Post-COVID-19 Syndrome, Machine Learning, Multi-Organ Dysfunction, Healthcare, Artificial Intelligence.
[ "Hector J. Castro", "Maitham G. Yousif" ]
2023-09-27 22:25:49
http://arxiv.org/abs/2309.16736v1
http://arxiv.org/pdf/2309.16736v1
2309.16736v1
Improving Adaptive Online Learning Using Refined Discretization
We study unconstrained Online Linear Optimization with Lipschitz losses. The goal is to simultaneously achieve ($i$) second order gradient adaptivity; and ($ii$) comparator norm adaptivity also known as "parameter freeness" in the literature. Existing regret bounds (Cutkosky and Orabona, 2018; Mhammedi and Koolen, 2020; Jacobsen and Cutkosky, 2022) have the suboptimal $O(\sqrt{V_T\log V_T})$ dependence on the gradient variance $V_T$, while the present work improves it to the optimal rate $O(\sqrt{V_T})$ using a novel continuous-time-inspired algorithm, without any impractical doubling trick. This result can be extended to the setting with unknown Lipschitz constant, eliminating the range ratio problem from prior works (Mhammedi and Koolen, 2020). Concretely, we first show that the aimed simultaneous adaptivity can be achieved fairly easily in a continuous time analogue of the problem, where the environment is modeled by an arbitrary continuous semimartingale. Then, our key innovation is a new discretization argument that preserves such adaptivity in the discrete time adversarial setting. This refines a non-gradient-adaptive discretization argument from (Harvey et al., 2023), both algorithmically and analytically, which could be of independent interest.
[ "Zhiyu Zhang", "Heng Yang", "Ashok Cutkosky", "Ioannis Ch. Paschalidis" ]
2023-09-27 21:54:52
http://arxiv.org/abs/2309.16044v1
http://arxiv.org/pdf/2309.16044v1
2309.16044v1
Towards Best Practices of Activation Patching in Language Models: Metrics and Methods
Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.
[ "Fred Zhang", "Neel Nanda" ]
2023-09-27 21:53:56
http://arxiv.org/abs/2309.16042v1
http://arxiv.org/pdf/2309.16042v1
2309.16042v1
Analytical Modelling of Raw Data for Flow-Guided In-body Nanoscale Localization
Advancements in nanotechnology and material science are paving the way toward nanoscale devices that combine sensing, computing, data and energy storage, and wireless communication. In precision medicine, these nanodevices show promise for disease diagnostics, treatment, and monitoring from within the patients' bloodstreams. Assigning the location of a sensed biological event with the event itself, which is the main proposition of flow-guided in-body nanoscale localization, would be immensely beneficial from the perspective of precision medicine. The nanoscale nature of the nanodevices and the challenging environment that the bloodstream represents, result in current flow-guided localization approaches being constrained in their communication and energy-related capabilities. The communication and energy constraints of the nanodevices result in different features of raw data for flow-guided localization, in turn affecting its performance. An analytical modeling of the effects of imperfect communication and constrained energy causing intermittent operation of the nanodevices on the raw data produced by the nanodevices would be beneficial. Hence, we propose an analytical model of raw data for flow-guided localization, where the raw data is modeled as a function of communication and energy-related capabilities of the nanodevice. We evaluate the model by comparing its output with the one obtained through the utilization of a simulator for objective evaluation of flow-guided localization, featuring comparably higher level of realism. Our results across a number of scenarios and heterogeneous performance metrics indicate high similarity between the model and simulator-generated raw datasets.
[ "Guillem Pascual", "Filip Lemic", "Carmen Delgado", "Xavier Costa-Perez" ]
2023-09-27 21:26:01
http://arxiv.org/abs/2309.16034v1
http://arxiv.org/pdf/2309.16034v1
2309.16034v1
Learning Dissipative Neural Dynamical Systems
Consider an unknown nonlinear dynamical system that is known to be dissipative. The objective of this paper is to learn a neural dynamical model that approximates this system, while preserving the dissipativity property in the model. In general, imposing dissipativity constraints during neural network training is a hard problem for which no known techniques exist. In this work, we address the problem of learning a dissipative neural dynamical system model in two stages. First, we learn an unconstrained neural dynamical model that closely approximates the system dynamics. Next, we derive sufficient conditions to perturb the weights of the neural dynamical model to ensure dissipativity, followed by perturbation of the biases to retain the fit of the model to the trajectories of the nonlinear system. We show that these two perturbation problems can be solved independently to obtain a neural dynamical model that is guaranteed to be dissipative while closely approximating the nonlinear system.
[ "Yuezhu Xu", "S. Sivaranjani" ]
2023-09-27 21:25:26
http://arxiv.org/abs/2309.16032v1
http://arxiv.org/pdf/2309.16032v1
2309.16032v1
Symbolic Imitation Learning: From Black-Box to Explainable Driving Policies
Current methods of imitation learning (IL), primarily based on deep neural networks, offer efficient means for obtaining driving policies from real-world data but suffer from significant limitations in interpretability and generalizability. These shortcomings are particularly concerning in safety-critical applications like autonomous driving. In this paper, we address these limitations by introducing Symbolic Imitation Learning (SIL), a groundbreaking method that employs Inductive Logic Programming (ILP) to learn driving policies which are transparent, explainable and generalisable from available datasets. Utilizing the real-world highD dataset, we subject our method to a rigorous comparative analysis against prevailing neural-network-based IL methods. Our results demonstrate that SIL not only enhances the interpretability of driving policies but also significantly improves their applicability across varied driving situations. Hence, this work offers a novel pathway to more reliable and safer autonomous driving systems, underscoring the potential of integrating ILP into the domain of IL.
[ "Iman Sharifi", "Saber Fallah" ]
2023-09-27 21:03:45
http://arxiv.org/abs/2309.16025v1
http://arxiv.org/pdf/2309.16025v1
2309.16025v1
GNNHLS: Evaluating Graph Neural Network Inference via High-Level Synthesis
With the ever-growing popularity of Graph Neural Networks (GNNs), efficient GNN inference is gaining tremendous attention. Field-Programming Gate Arrays (FPGAs) are a promising execution platform due to their fine-grained parallelism, low-power consumption, reconfigurability, and concurrent execution. Even better, High-Level Synthesis (HLS) tools bridge the gap between the non-trivial FPGA development efforts and rapid emergence of new GNN models. In this paper, we propose GNNHLS, an open-source framework to comprehensively evaluate GNN inference acceleration on FPGAs via HLS, containing a software stack for data generation and baseline deployment, and FPGA implementations of 6 well-tuned GNN HLS kernels. We evaluate GNNHLS on 4 graph datasets with distinct topologies and scales. The results show that GNNHLS achieves up to 50.8x speedup and 423x energy reduction relative to the CPU baselines. Compared with the GPU baselines, GNNHLS achieves up to 5.16x speedup and 74.5x energy reduction.
[ "Chenfeng Zhao", "Zehao Dong", "Yixin Chen", "Xuan Zhang", "Roger D. Chamberlain" ]
2023-09-27 20:58:33
http://arxiv.org/abs/2309.16022v1
http://arxiv.org/pdf/2309.16022v1
2309.16022v1
GeoCLIP: Clip-Inspired Alignment between Locations and Images for Effective Worldwide Geo-localization
Worldwide Geo-localization aims to pinpoint the precise location of images taken anywhere on Earth. This task has considerable challenges due to immense variation in geographic landscapes. The image-to-image retrieval-based approaches fail to solve this problem on a global scale as it is not feasible to construct a large gallery of images covering the entire world. Instead, existing approaches divide the globe into discrete geographic cells, transforming the problem into a classification task. However, their performance is limited by the predefined classes and often results in inaccurate localizations when an image's location significantly deviates from its class center. To overcome these limitations, we propose GeoCLIP, a novel CLIP-inspired Image-to-GPS retrieval approach that enforces alignment between the image and its corresponding GPS locations. GeoCLIP's location encoder models the Earth as a continuous function by employing positional encoding through random Fourier features and constructing a hierarchical representation that captures information at varying resolutions to yield a semantically rich high-dimensional feature suitable to use even beyond geo-localization. To the best of our knowledge, this is the first work employing GPS encoding for geo-localization. We demonstrate the efficacy of our method via extensive experiments and ablations on benchmark datasets. We achieve competitive performance with just 20% of training data, highlighting its effectiveness even in limited-data settings. Furthermore, we qualitatively demonstrate geo-localization using a text query by leveraging CLIP backbone of our image encoder.
[ "Vicente Vivanco Cepeda", "Gaurav Kumar Nayak", "Mubarak Shah" ]
2023-09-27 20:54:56
http://arxiv.org/abs/2309.16020v1
http://arxiv.org/pdf/2309.16020v1
2309.16020v1
Graph-level Representation Learning with Joint-Embedding Predictive Architectures
Joint-Embedding Predictive Architectures (JEPAs) have recently emerged as a novel and powerful technique for self-supervised representation learning. They aim to learn an energy-based model by predicting the latent representation of a target signal $y$ from a context signal $x$. JEPAs bypass the need for data augmentation and negative samples, which are typically required by contrastive learning, while avoiding the overfitting issues associated with generative-based pretraining. In this paper, we show that graph-level representations can be effectively modeled using this paradigm and propose Graph-JEPA, the first JEPA for the graph domain. In particular, we employ masked modeling to learn embeddings for different subgraphs of the input graph. To endow the representations with the implicit hierarchy that is often present in graph-level concepts, we devise an alternative training objective that consists of predicting the coordinates of the encoded subgraphs on the unit hyperbola in the 2D plane. Extensive validation shows that Graph-JEPA can learn representations that are expressive and competitive in both graph classification and regression problems.
[ "Geri Skenderi", "Hang Li", "Jiliang Tang", "Marco Cristani" ]
2023-09-27 20:42:02
http://arxiv.org/abs/2309.16014v1
http://arxiv.org/pdf/2309.16014v1
2309.16014v1
Digital Twin-based Anomaly Detection with Curriculum Learning in Cyber-physical Systems
Anomaly detection is critical to ensure the security of cyber-physical systems (CPS). However, due to the increasing complexity of attacks and CPS themselves, anomaly detection in CPS is becoming more and more challenging. In our previous work, we proposed a digital twin-based anomaly detection method, called ATTAIN, which takes advantage of both historical and real-time data of CPS. However, such data vary significantly in terms of difficulty. Therefore, similar to human learning processes, deep learning models (e.g., ATTAIN) can benefit from an easy-to-difficult curriculum. To this end, in this paper, we present a novel approach, named digitaL twin-based Anomaly deTecTion wIth Curriculum lEarning (LATTICE), which extends ATTAIN by introducing curriculum learning to optimize its learning paradigm. LATTICE attributes each sample with a difficulty score, before being fed into a training scheduler. The training scheduler samples batches of training data based on these difficulty scores such that learning from easy to difficult data can be performed. To evaluate LATTICE, we use five publicly available datasets collected from five real-world CPS testbeds. We compare LATTICE with ATTAIN and two other state-of-the-art anomaly detectors. Evaluation results show that LATTICE outperforms the three baselines and ATTAIN by 0.906%-2.367% in terms of the F1 score. LATTICE also, on average, reduces the training time of ATTAIN by 4.2% on the five datasets and is on par with the baselines in terms of detection delay time.
[ "Qinghua Xu", "Shaukat Ali", "Tao Yue" ]
2023-09-27 20:18:02
http://arxiv.org/abs/2309.15995v1
http://arxiv.org/pdf/2309.15995v1
2309.15995v1
Machine Learning Based Analytics for the Significance of Gait Analysis in Monitoring and Managing Lower Extremity Injuries
This study explored the potential of gait analysis as a tool for assessing post-injury complications, e.g., infection, malunion, or hardware irritation, in patients with lower extremity fractures. The research focused on the proficiency of supervised machine learning models predicting complications using consecutive gait datasets. We identified patients with lower extremity fractures at an academic center. Patients underwent gait analysis with a chest-mounted IMU device. Using software, raw gait data was preprocessed, emphasizing 12 essential gait variables. Machine learning models including XGBoost, Logistic Regression, SVM, LightGBM, and Random Forest were trained, tested, and evaluated. Attention was given to class imbalance, addressed using SMOTE. We introduced a methodology to compute the Rate of Change (ROC) for gait variables, independent of the time difference between gait analyses. XGBoost was the optimal model both before and after applying SMOTE. Prior to SMOTE, the model achieved an average test AUC of 0.90 (95% CI: [0.79, 1.00]) and test accuracy of 86% (95% CI: [75%, 97%]). Feature importance analysis attributed importance to the duration between injury and gait analysis. Data patterns showed early physiological compensations, followed by stabilization phases, emphasizing prompt gait analysis. This study underscores the potential of machine learning, particularly XGBoost, in gait analysis for orthopedic care. Predicting post-injury complications, early gait assessment becomes vital, revealing intervention points. The findings support a shift in orthopedics towards a data-informed approach, enhancing patient outcomes.
[ "Mostafa Rezapour", "Rachel B. Seymour", "Stephen H. Sims", "Madhav A. Karunakar", "Nahir Habet", "Metin Nafi Gurcan" ]
2023-09-27 20:12:19
http://arxiv.org/abs/2309.15990v1
http://arxiv.org/pdf/2309.15990v1
2309.15990v1
Open Source Infrastructure for Differentiable Density Functional Theory
Learning exchange correlation functionals, used in quantum chemistry calculations, from data has become increasingly important in recent years, but training such a functional requires sophisticated software infrastructure. For this reason, we build open source infrastructure to train neural exchange correlation functionals. We aim to standardize the processing pipeline by adapting state-of-the-art techniques from work done by multiple groups. We have open sourced the model in the DeepChem library to provide a platform for additional research on differentiable quantum chemistry methods.
[ "Advika Vidhyadhiraja", "Arun Pa Thiagarajan", "Shang Zhu", "Venkat Viswanathan", "Bharath Ramsundar" ]
2023-09-27 20:07:26
http://arxiv.org/abs/2309.15985v1
http://arxiv.org/pdf/2309.15985v1
2309.15985v1
TraCE: Trajectory Counterfactual Explanation Scores
Counterfactual explanations, and their associated algorithmic recourse, are typically leveraged to understand, explain, and potentially alter a prediction coming from a black-box classifier. In this paper, we propose to extend the use of counterfactuals to evaluate progress in sequential decision making tasks. To this end, we introduce a model-agnostic modular framework, TraCE (Trajectory Counterfactual Explanation) scores, which is able to distill and condense progress in highly complex scenarios into a single value. We demonstrate TraCE's utility across domains by showcasing its main properties in two case studies spanning healthcare and climate change.
[ "Jeffrey N. Clark", "Edward A. Small", "Nawid Keshtmand", "Michelle W. L. Wan", "Elena Fillola Mayoral", "Enrico Werner", "Christopher P. Bourdeaux", "Raul Santos-Rodriguez" ]
2023-09-27 19:24:57
http://arxiv.org/abs/2309.15965v1
http://arxiv.org/pdf/2309.15965v1
2309.15965v1
Resilience of Deep Learning applications: a systematic survey of analysis and hardening techniques
Machine Learning (ML) is currently being exploited in numerous applications being one of the most effective Artificial Intelligence (AI) technologies, used in diverse fields, such as vision, autonomous systems, and alike. The trend motivated a significant amount of contributions to the analysis and design of ML applications against faults affecting the underlying hardware. The authors investigate the existing body of knowledge on Deep Learning (among ML techniques) resilience against hardware faults systematically through a thoughtful review in which the strengths and weaknesses of this literature stream are presented clearly and then future avenues of research are set out. The review is based on 163 scientific articles published between January 2019 and March 2023. The authors adopt a classifying framework to interpret and highlight research similarities and peculiarities, based on several parameters, starting from the main scope of the work, the adopted fault and error models, to their reproducibility. This framework allows for a comparison of the different solutions and the identification of possible synergies. Furthermore, suggestions concerning the future direction of research are proposed in the form of open challenges to be addressed.
[ "Cristiana Bolchini", "Luca Cassano", "Antonio Miele" ]
2023-09-27 19:22:19
http://arxiv.org/abs/2309.16733v1
http://arxiv.org/pdf/2309.16733v1
2309.16733v1
The Devil is in the Details: A Deep Dive into the Rabbit Hole of Data Filtering
The quality of pre-training data plays a critical role in the performance of foundation models. Popular foundation models often design their own recipe for data filtering, which makes it hard to analyze and compare different data filtering approaches. DataComp is a new benchmark dedicated to evaluating different methods for data filtering. This paper describes our learning and solution when participating in the DataComp challenge. Our filtering strategy includes three stages: single-modality filtering, cross-modality filtering, and data distribution alignment. We integrate existing methods and propose new solutions, such as computing CLIP score on horizontally flipped images to mitigate the interference of scene text, using vision and language models to retrieve training samples for target downstream tasks, rebalancing the data distribution to improve the efficiency of allocating the computational budget, etc. We slice and dice our design choices, provide in-depth analysis, and discuss open questions. Our approach outperforms the best method from the DataComp paper by over 4% on the average performance of 38 tasks and by over 2% on ImageNet.
[ "Haichao Yu", "Yu Tian", "Sateesh Kumar", "Linjie Yang", "Heng Wang" ]
2023-09-27 19:10:43
http://arxiv.org/abs/2309.15954v1
http://arxiv.org/pdf/2309.15954v1
2309.15954v1
Unified Long-Term Time-Series Forecasting Benchmark
In order to support the advancement of machine learning methods for predicting time-series data, we present a comprehensive dataset designed explicitly for long-term time-series forecasting. We incorporate a collection of datasets obtained from diverse, dynamic systems and real-life records. Each dataset is standardized by dividing it into training and test trajectories with predetermined lookback lengths. We include trajectories of length up to $2000$ to ensure a reliable evaluation of long-term forecasting capabilities. To determine the most effective model in diverse scenarios, we conduct an extensive benchmarking analysis using classical and state-of-the-art models, namely LSTM, DeepAR, NLinear, N-Hits, PatchTST, and LatentODE. Our findings reveal intriguing performance comparisons among these models, highlighting the dataset-dependent nature of model effectiveness. Notably, we introduce a custom latent NLinear model and enhance DeepAR with a curriculum learning phase. Both consistently outperform their vanilla counterparts.
[ "Jacek Cyranka", "Szymon Haponiuk" ]
2023-09-27 18:59:00
http://arxiv.org/abs/2309.15946v1
http://arxiv.org/pdf/2309.15946v1
2309.15946v1
Exploring Self-Supervised Contrastive Learning of Spatial Sound Event Representation
In this study, we present a simple multi-channel framework for contrastive learning (MC-SimCLR) to encode 'what' and 'where' of spatial audios. MC-SimCLR learns joint spectral and spatial representations from unlabeled spatial audios, thereby enhancing both event classification and sound localization in downstream tasks. At its core, we propose a multi-level data augmentation pipeline that augments different levels of audio features, including waveforms, Mel spectrograms, and generalized cross-correlation (GCC) features. In addition, we introduce simple yet effective channel-wise augmentation methods to randomly swap the order of the microphones and mask Mel and GCC channels. By using these augmentations, we find that linear layers on top of the learned representation significantly outperform supervised models in terms of both event classification accuracy and localization error. We also perform a comprehensive analysis of the effect of each augmentation method and a comparison of the fine-tuning performance using different amounts of labeled data.
[ "Xilin Jiang", "Cong Han", "Yinghao Aaron Li", "Nima Mesgarani" ]
2023-09-27 18:23:03
http://arxiv.org/abs/2309.15938v1
http://arxiv.org/pdf/2309.15938v1
2309.15938v1
SHACIRA: Scalable HAsh-grid Compression for Implicit Neural Representations
Implicit Neural Representations (INR) or neural fields have emerged as a popular framework to encode multimedia signals such as images and radiance fields while retaining high-quality. Recently, learnable feature grids proposed by Instant-NGP have allowed significant speed-up in the training as well as the sampling of INRs by replacing a large neural network with a multi-resolution look-up table of feature vectors and a much smaller neural network. However, these feature grids come at the expense of large memory consumption which can be a bottleneck for storage and streaming applications. In this work, we propose SHACIRA, a simple yet effective task-agnostic framework for compressing such feature grids with no additional post-hoc pruning/quantization stages. We reparameterize feature grids with quantized latent weights and apply entropy regularization in the latent space to achieve high levels of compression across various domains. Quantitative and qualitative results on diverse datasets consisting of images, videos, and radiance fields, show that our approach outperforms existing INR approaches without the need for any large datasets or domain-specific heuristics. Our project page is available at http://shacira.github.io .
[ "Sharath Girish", "Abhinav Shrivastava", "Kamal Gupta" ]
2023-09-27 17:59:48
http://arxiv.org/abs/2309.15848v1
http://arxiv.org/pdf/2309.15848v1
2309.15848v1
Exploiting the Signal-Leak Bias in Diffusion Models
There is a bias in the inference pipeline of most diffusion models. This bias arises from a signal leak whose distribution deviates from the noise distribution, creating a discrepancy between training and inference processes. We demonstrate that this signal-leak bias is particularly significant when models are tuned to a specific style, causing sub-optimal style matching. Recent research tries to avoid the signal leakage during training. We instead show how we can exploit this signal-leak bias in existing diffusion models to allow more control over the generated images. This enables us to generate images with more varied brightness, and images that better match a desired style or color. By modeling the distribution of the signal leak in the spatial frequency and pixel domains, and including a signal leak in the initial latent, we generate images that better match expected results without any additional training.
[ "Martin Nicolas Everaert", "Athanasios Fitsios", "Marco Bocchio", "Sami Arpa", "Sabine Süsstrunk", "Radhakrishna Achanta" ]
2023-09-27 17:59:11
http://arxiv.org/abs/2309.15842v1
http://arxiv.org/pdf/2309.15842v1
2309.15842v1
Deep Learning-Based Real-Time Rate Control for Live Streaming on Wireless Networks
Providing wireless users with high-quality video content has become increasingly important. However, ensuring consistent video quality poses challenges due to variable encoded bitrate caused by dynamic video content and fluctuating channel bitrate caused by wireless fading effects. Suboptimal selection of encoder parameters can lead to video quality loss due to underutilized bandwidth or the introduction of video artifacts due to packet loss. To address this, a real-time deep learning based H.264 controller is proposed. This controller leverages instantaneous channel quality data driven from the physical layer, along with the video chunk, to dynamically estimate the optimal encoder parameters with a negligible delay in real-time. The objective is to maintain an encoded video bitrate slightly below the available channel bitrate. Experimental results, conducted on both QCIF dataset and a diverse selection of random videos from public datasets, validate the effectiveness of the approach. Remarkably, improvements of 10-20 dB in PSNR with repect to the state-of-the-art adaptive bitrate video streaming is achieved, with an average packet drop rate as low as 0.002.
[ "Matin Mortaheb", "Mohammad A. Amir Khojastepour", "Srimat T. Chakradhar", "Sennur Ulukus" ]
2023-09-27 17:53:35
http://arxiv.org/abs/2310.06857v1
http://arxiv.org/pdf/2310.06857v1
2310.06857v1
Multi-unit soft sensing permits few-shot learning
Recent literature has explored various ways to improve soft sensors using learning algorithms with transferability. Broadly put, the performance of a soft sensor may be strengthened when it is learned by solving multiple tasks. The usefulness of transferability depends on how strongly related the devised learning tasks are. A particularly relevant case for transferability, is when a soft sensor is to be developed for a process of which there are many realizations, e.g. system or device with many implementations from which data is available. Then, each realization presents a soft sensor learning task, and it is reasonable to expect that the different tasks are strongly related. Applying transferability in this setting leads to what we call multi-unit soft sensing, where a soft sensor models a process by learning from data from all of its realizations. This paper explores the learning abilities of a multi-unit soft sensor, which is formulated as a hierarchical model and implemented using a deep neural network. In particular, we investigate how well the soft sensor generalizes as the number of units increase. Using a large industrial dataset, we demonstrate that, when the soft sensor is learned from a sufficient number of tasks, it permits few-shot learning on data from new units. Surprisingly, regarding the difficulty of the task, few-shot learning on 1-3 data points often leads to a high performance on new units.
[ "Bjarne Grimstad", "Kristian Løvland", "Lars S. Imsland" ]
2023-09-27 17:50:05
http://arxiv.org/abs/2309.15828v1
http://arxiv.org/pdf/2309.15828v1
2309.15828v1
Fair Canonical Correlation Analysis
This paper investigates fairness and bias in Canonical Correlation Analysis (CCA), a widely used statistical technique for examining the relationship between two sets of variables. We present a framework that alleviates unfairness by minimizing the correlation disparity error associated with protected attributes. Our approach enables CCA to learn global projection matrices from all data points while ensuring that these matrices yield comparable correlation levels to group-specific projection matrices. Experimental evaluation on both synthetic and real-world datasets demonstrates the efficacy of our method in reducing correlation disparity error without compromising CCA accuracy.
[ "Zhuoping Zhou", "Davoud Ataee Tarzanagh", "Bojian Hou", "Boning Tong", "Jia Xu", "Yanbo Feng", "Qi Long", "Li Shen" ]
2023-09-27 17:34:13
http://arxiv.org/abs/2309.15809v1
http://arxiv.org/pdf/2309.15809v1
2309.15809v1
Node-Aligned Graph-to-Graph Generation for Retrosynthesis Prediction
Single-step retrosynthesis is a crucial task in organic chemistry and drug design, requiring the identification of required reactants to synthesize a specific compound. with the advent of computer-aided synthesis planning, there is growing interest in using machine-learning techniques to facilitate the process. Existing template-free machine learning-based models typically utilize transformer structures and represent molecules as ID sequences. However, these methods often face challenges in fully leveraging the extensive topological information of the molecule and aligning atoms between the production and reactants, leading to results that are not as competitive as those of semi-template models. Our proposed method, Node-Aligned Graph-to-Graph (NAG2G), also serves as a transformer-based template-free model but utilizes 2D molecular graphs and 3D conformation information. Furthermore, our approach simplifies the incorporation of production-reactant atom mapping alignment by leveraging node alignment to determine a specific order for node generation and generating molecular graphs in an auto-regressive manner node-by-node. This method ensures that the node generation order coincides with the node order in the input graph, overcoming the difficulty of determining a specific node generation order in an auto-regressive manner. Our extensive benchmarking results demonstrate that the proposed NAG2G can outperform the previous state-of-the-art baselines in various metrics.
[ "Lin Yao", "Zhen Wang", "Wentao Guo", "Shang Xiang", "Wentan Liu", "Guolin Ke" ]
2023-09-27 17:16:32
http://arxiv.org/abs/2309.15798v1
http://arxiv.org/pdf/2309.15798v1
2309.15798v1
Large Language Model Routing with Benchmark Datasets
There is a rapidly growing number of open-source Large Language Models (LLMs) and benchmark datasets to compare them. While some models dominate these benchmarks, no single model typically achieves the best accuracy in all tasks and use cases. In this work, we address the challenge of selecting the best LLM out of a collection of models for new tasks. We propose a new formulation for the problem, in which benchmark datasets are repurposed to learn a "router" model for this LLM selection, and we show that this problem can be reduced to a collection of binary classification tasks. We demonstrate the utility and limitations of learning model routers from various benchmark datasets, where we consistently improve performance upon using any single model for all tasks.
[ "Tal Shnitzer", "Anthony Ou", "Mírian Silva", "Kate Soule", "Yuekai Sun", "Justin Solomon", "Neil Thompson", "Mikhail Yurochkin" ]
2023-09-27 17:08:40
http://arxiv.org/abs/2309.15789v1
http://arxiv.org/pdf/2309.15789v1
2309.15789v1
Partial Transport for Point-Cloud Registration
Point cloud registration plays a crucial role in various fields, including robotics, computer graphics, and medical imaging. This process involves determining spatial relationships between different sets of points, typically within a 3D space. In real-world scenarios, complexities arise from non-rigid movements and partial visibility, such as occlusions or sensor noise, making non-rigid registration a challenging problem. Classic non-rigid registration methods are often computationally demanding, suffer from unstable performance, and, importantly, have limited theoretical guarantees. The optimal transport problem and its unbalanced variations (e.g., the optimal partial transport problem) have emerged as powerful tools for point-cloud registration, establishing a strong benchmark in this field. These methods view point clouds as empirical measures and provide a mathematically rigorous way to quantify the `correspondence' between (the transformed) source and target points. In this paper, we approach the point-cloud registration problem through the lens of optimal transport theory and first propose a comprehensive set of non-rigid registration methods based on the optimal partial transportation problem. Subsequently, leveraging the emerging work on efficient solutions to the one-dimensional optimal partial transport problem, we extend our proposed algorithms via slicing to gain significant computational efficiency, resulting in fast and robust non-rigid registration algorithms. We demonstrate the effectiveness of our proposed methods and compare them against baselines on various 3D and 2D non-rigid registration problems where the source and target point clouds are corrupted by random noise.
[ "Yikun Bai", "Huy Tran", "Steven B. Damelin", "Soheil Kolouri" ]
2023-09-27 17:04:22
http://arxiv.org/abs/2309.15787v1
http://arxiv.org/pdf/2309.15787v1
2309.15787v1
Learning the Efficient Frontier
The efficient frontier (EF) is a fundamental resource allocation problem where one has to find an optimal portfolio maximizing a reward at a given level of risk. This optimal solution is traditionally found by solving a convex optimization problem. In this paper, we introduce NeuralEF: a fast neural approximation framework that robustly forecasts the result of the EF convex optimization problem with respect to heterogeneous linear constraints and variable number of optimization inputs. By reformulating an optimization problem as a sequence to sequence problem, we show that NeuralEF is a viable solution to accelerate large-scale simulation while handling discontinuous behavior.
[ "Philippe Chatigny", "Ivan Sergienko", "Ryan Ferguson", "Jordan Weir", "Maxime Bergeron" ]
2023-09-27 16:49:37
http://arxiv.org/abs/2309.15775v2
http://arxiv.org/pdf/2309.15775v2
2309.15775v2
Importance-Weighted Offline Learning Done Right
We study the problem of offline policy optimization in stochastic contextual bandit problems, where the goal is to learn a near-optimal policy based on a dataset of decision data collected by a suboptimal behavior policy. Rather than making any structural assumptions on the reward function, we assume access to a given policy class and aim to compete with the best comparator policy within this class. In this setting, a standard approach is to compute importance-weighted estimators of the value of each policy, and select a policy that minimizes the estimated value up to a "pessimistic" adjustment subtracted from the estimates to reduce their random fluctuations. In this paper, we show that a simple alternative approach based on the "implicit exploration" estimator of \citet{Neu2015} yields performance guarantees that are superior in nearly all possible terms to all previous results. Most notably, we remove an extremely restrictive "uniform coverage" assumption made in all previous works. These improvements are made possible by the observation that the upper and lower tails importance-weighted estimators behave very differently from each other, and their careful control can massively improve on previous results that were all based on symmetric two-sided concentration inequalities. We also extend our results to infinite policy classes in a PAC-Bayesian fashion, and showcase the robustness of our algorithm to the choice of hyper-parameters by means of numerical simulations.
[ "Germano Gabbianelli", "Gergely Neu", "Matteo Papini" ]
2023-09-27 16:42:10
http://arxiv.org/abs/2309.15771v1
http://arxiv.org/pdf/2309.15771v1
2309.15771v1
Algebraic and Statistical Properties of the Ordinary Least Squares Interpolator
Deep learning research has uncovered the phenomenon of benign overfitting for over-parameterized statistical models, which has drawn significant theoretical interest in recent years. Given its simplicity and practicality, the ordinary least squares (OLS) interpolator has become essential to gain foundational insights into this phenomenon. While properties of OLS are well established in classical settings, its behavior in high-dimensional settings is less explored (unlike for ridge or lasso regression) though significant progress has been made of late. We contribute to this growing literature by providing fundamental algebraic and statistical results for the minimum $\ell_2$-norm OLS interpolator. In particular, we provide high-dimensional algebraic equivalents of (i) the leave-$k$-out residual formula, (ii) Cochran's formula, and (iii) the Frisch-Waugh-Lovell theorem. These results aid in understanding the OLS interpolator's ability to generalize and have substantive implications for causal inference. Additionally, under the Gauss-Markov model, we present statistical results such as a high-dimensional extension of the Gauss-Markov theorem and an analysis of variance estimation under homoskedastic errors. To substantiate our theoretical contributions, we conduct simulation studies that further explore the stochastic properties of the OLS interpolator.
[ "Dennis Shen", "Dogyoon Song", "Peng Ding", "Jasjeet S. Sekhon" ]
2023-09-27 16:41:10
http://arxiv.org/abs/2309.15769v1
http://arxiv.org/pdf/2309.15769v1
2309.15769v1
High Perceptual Quality Wireless Image Delivery with Denoising Diffusion Models
We consider the image transmission problem over a noisy wireless channel via deep learning-based joint source-channel coding (DeepJSCC) along with a denoising diffusion probabilistic model (DDPM) at the receiver. Specifically, we are interested in the perception-distortion trade-off in the practical finite block length regime, in which separate source and channel coding can be highly suboptimal. We introduce a novel scheme that utilizes the range-null space decomposition of the target image. We transmit the range-space of the image after encoding and employ DDPM to progressively refine its null space contents. Through extensive experiments, we demonstrate significant improvements in distortion and perceptual quality of reconstructed images compared to standard DeepJSCC and the state-of-the-art generative learning-based method. We will publicly share our source code to facilitate further research and reproducibility.
[ "Selim F. Yilmaz", "Xueyan Niu", "Bo Bai", "Wei Han", "Lei Deng", "Deniz Gunduz" ]
2023-09-27 16:30:59
http://arxiv.org/abs/2309.15889v1
http://arxiv.org/pdf/2309.15889v1
2309.15889v1
Rapid Network Adaptation: Learning to Adapt Neural Networks Using Test-Time Feedback
We propose a method for adapting neural networks to distribution shifts at test-time. In contrast to training-time robustness mechanisms that attempt to anticipate and counter the shift, we create a closed-loop system and make use of a test-time feedback signal to adapt a network on the fly. We show that this loop can be effectively implemented using a learning-based function, which realizes an amortized optimizer for the network. This leads to an adaptation method, named Rapid Network Adaptation (RNA), that is notably more flexible and orders of magnitude faster than the baselines. Through a broad set of experiments using various adaptation signals and target tasks, we study the efficiency and flexibility of this method. We perform the evaluations using various datasets (Taskonomy, Replica, ScanNet, Hypersim, COCO, ImageNet), tasks (depth, optical flow, semantic segmentation, classification), and distribution shifts (Cross-datasets, 2D and 3D Common Corruptions) with promising results. We end with a discussion on general formulations for handling distribution shifts and our observations from comparing with similar approaches from other domains.
[ "Teresa Yeo", "Oğuzhan Fatih Kar", "Zahra Sodagar", "Amir Zamir" ]
2023-09-27 16:20:39
http://arxiv.org/abs/2309.15762v1
http://arxiv.org/pdf/2309.15762v1
2309.15762v1
Borges and AI
Many believe that Large Language Models (LLMs) open the era of Artificial Intelligence (AI). Some see opportunities while others see dangers. Yet both proponents and opponents grasp AI through the imagery popularised by science fiction. Will the machine become sentient and rebel against its creators? Will we experience a paperclip apocalypse? Before answering such questions, we should first ask whether this mental imagery provides a good description of the phenomenon at hand. Understanding weather patterns through the moods of the gods only goes so far. The present paper instead advocates understanding LLMs and their connection to AI through the imagery of Jorge Luis Borges, a master of 20th century literature, forerunner of magical realism, and precursor to postmodern literature. This exercise leads to a new perspective that illuminates the relation between language modelling and artificial intelligence.
[ "Léon Bottou", "Bernhard Schölkopf" ]
2023-09-27 16:15:34
http://arxiv.org/abs/2310.01425v2
http://arxiv.org/pdf/2310.01425v2
2310.01425v2
Latent Graphs for Semi-Supervised Learning on Biomedical Tabular Data
In the domain of semi-supervised learning, the current approaches insufficiently exploit the potential of considering inter-instance relationships among (un)labeled data. In this work, we address this limitation by providing an approach for inferring latent graphs that capture the intrinsic data relationships. By leveraging graph-based representations, our approach facilitates the seamless propagation of information throughout the graph, effectively incorporating global and local knowledge. Through evaluations on biomedical tabular datasets, we compare the capabilities of our approach to other contemporary methods. Our work demonstrates the significance of inter-instance relationship discovery as practical means for constructing robust latent graphs to enhance semi-supervised learning techniques. The experiments show that the proposed methodology outperforms contemporary state-of-the-art methods for (semi-)supervised learning on three biomedical datasets.
[ "Boshko Koloski", "Nada Lavrač", "Senja Pollak", "Blaž Škrlj" ]
2023-09-27 16:13:36
http://arxiv.org/abs/2309.15757v3
http://arxiv.org/pdf/2309.15757v3
2309.15757v3
Provably Efficient Exploration in Constrained Reinforcement Learning:Posterior Sampling Is All You Need
We present a new algorithm based on posterior sampling for learning in constrained Markov decision processes (CMDP) in the infinite-horizon undiscounted setting. The algorithm achieves near-optimal regret bounds while being advantageous empirically compared to the existing algorithms. Our main theoretical result is a Bayesian regret bound for each cost component of \tilde{O} (HS \sqrt{AT}) for any communicating CMDP with S states, A actions, and bound on the hitting time H. This regret bound matches the lower bound in order of time horizon T and is the best-known regret bound for communicating CMDPs in the infinite-horizon undiscounted setting. Empirical results show that, despite its simplicity, our posterior sampling algorithm outperforms the existing algorithms for constrained reinforcement learning.
[ "Danil Provodin", "Pratik Gajane", "Mykola Pechenizkiy", "Maurits Kaptein" ]
2023-09-27 15:48:36
http://arxiv.org/abs/2309.15737v1
http://arxiv.org/pdf/2309.15737v1
2309.15737v1
Deep Learning-based Analysis of Basins of Attraction
This study showcases the effectiveness of convolutional neural networks (CNNs) in characterizing the complexity and unpredictability of basins of attraction for diverse dynamical systems. This novel method is optimal for exploring different parameters of dynamical systems since the conventional methods are computationally expensive for characterizing multiple basins of attraction. Additionally, our research includes a comparison of different CNN architectures for this task showing the superiority of our proposed characterization method over the conventional methods, even with obsolete architectures.
[ "David Valle", "Alexandre Wagemakers", "Miguel A. F. Sanjuán" ]
2023-09-27 15:41:12
http://arxiv.org/abs/2309.15732v1
http://arxiv.org/pdf/2309.15732v1
2309.15732v1
Temporal graph models fail to capture global temporal dynamics
A recently released Temporal Graph Benchmark is analyzed in the context of Dynamic Link Property Prediction. We outline our observations and propose a trivial optimization-free baseline of "recently popular nodes" outperforming other methods on medium and large-size datasets in the Temporal Graph Benchmark. We propose two measures based on Wasserstein distance which can quantify the strength of short-term and long-term global dynamics of datasets. By analyzing our unexpectedly strong baseline, we show how standard negative sampling evaluation can be unsuitable for datasets with strong temporal dynamics. We also show how simple negative-sampling can lead to model degeneration during training, resulting in impossible to rank, fully saturated predictions of temporal graph networks. We propose improved negative sampling schemes for both training and evaluation and prove their usefulness. We conduct a comparison with a model trained non-contrastively without negative sampling. Our results provide a challenging baseline and indicate that temporal graph network architectures need deep rethinking for usage in problems with significant global dynamics, such as social media, cryptocurrency markets or e-commerce. We open-source the code for baselines, measures and proposed negative sampling schemes.
[ "Michał Daniluk", "Jacek Dąbrowski" ]
2023-09-27 15:36:45
http://arxiv.org/abs/2309.15730v2
http://arxiv.org/pdf/2309.15730v2
2309.15730v2
Factorized Diffusion Architectures for Unsupervised Image Generation and Segmentation
We develop a neural network architecture which, trained in an unsupervised manner as a denoising diffusion model, simultaneously learns to both generate and segment images. Learning is driven entirely by the denoising diffusion objective, without any annotation or prior knowledge about regions during training. A computational bottleneck, built into the neural architecture, encourages the denoising network to partition an input into regions, denoise them in parallel, and combine the results. Our trained model generates both synthetic images and, by simple examination of its internal predicted partitions, a semantic segmentation of those images. Without any finetuning, we directly apply our unsupervised model to the downstream task of segmenting real images via noising and subsequently denoising them. Experiments demonstrate that our model achieves accurate unsupervised image segmentation and high-quality synthetic image generation across multiple datasets.
[ "Xin Yuan", "Michael Maire" ]
2023-09-27 15:32:46
http://arxiv.org/abs/2309.15726v1
http://arxiv.org/pdf/2309.15726v1
2309.15726v1