pwc-archive/papers-with-abstracts huggingface dataset:
A Large-Scale Neutral Comparison Study of Survival Models on Low-Dimensional Data
Authors: Lukas Burk, John Zobolas, Bernd Bischl, Andreas Bender, Marvin N. Wright, Raphael Sonabend
Date: 2024-06-06 00:00:00
Tasks: scoring rule, Survival Analysis

This work presents the first large-scale neutral benchmark experiment focused on single-event, right-censored, low-dimensional survival data. Benchmark experiments are essential in methodological research to scientifically compare new and existing model classes through proper empirical evaluation. Existing benchmarks in the survival literature are often narrow in scope, focusing, for example, on high-dimensional data. Additionally, they may lack appropriate tuning or evaluation procedures, or are qualitative reviews, rather than quantitative comparisons. This comprehensive study aims to fill the gap by neutrally evaluating a broad range of methods and providing generalizable conclusions. We benchmark 18 models, ranging from classical statistical approaches to many common machine learning methods, on 32 publicly available datasets. The benchmark tunes for both a discrimination measure and a proper scoring rule to assess performance in different settings. Evaluating on 8 survival metrics, we assess discrimination, calibration, and overall predictive performance of the tested models. Using discrimination measures, we find that no method significantly outperforms the Cox model. However, (tuned) Accelerated Failure Time models were able to achieve significantly better results with respect to overall predictive performance as measured by the right-censored log-likelihood. Machine learning methods that performed comparably well include Oblique Random Survival Forests under discrimination, and Cox-based likelihood-boosting under overall predictive performance. We conclude that for predictive purposes in the standard survival analysis setting of low-dimensional, right-censored data, the Cox Proportional Hazards model remains a simple and robust method, sufficient for practitioners.
Open Problem: Active Representation Learning
Authors: Nikola Milosevic, Gesine Müller, Jan Huisken, Nico Scherf
Date: 2024-06-06 00:00:00
Tasks: Representation Learning, scientific discovery, Simultaneous Localization and Mapping

In this work, we introduce the concept of Active Representation Learning, a novel class of problems that intertwines exploration and representation learning within partially observable environments. We extend ideas from Active Simultaneous Localization and Mapping (active SLAM), and translate them to scientific discovery problems, exemplified by adaptive microscopy. We explore the need for a framework that derives exploration skills from representations that are in some sense actionable, aiming to enhance the efficiency and effectiveness of data collection and model building in the natural sciences.
Talos: A More Effective and Efficient Adversarial Defense for GNN Models Based on the Global Homophily of Graphs
Authors: Duanyu Li, Huijun Wu, Min Xie, Xugang Wu, Zhenwei Wu, Wenzhe Zhang
Date: 2024-06-06 00:00:00
Tasks: Adversarial Defense, Graph Neural Network, Graph structure learning

Graph neural network (GNN) models play a pivotal role in numerous tasks involving graph-related data analysis. Despite their efficacy, similar to other deep learning models, GNNs are susceptible to adversarial attacks. Even minor perturbations in graph data can induce substantial alterations in model predictions. While existing research has explored various adversarial defense techniques for GNNs, the challenge of defending against adversarial attacks on real-world scale graph data remains largely unresolved. On one hand, methods reliant on graph purification and preprocessing tend to excessively emphasize local graph information, leading to sub-optimal defensive outcomes. On the other hand, approaches rooted in graph structure learning entail significant time overheads, rendering them impractical for large-scale graphs. In this paper, we propose a new defense method named Talos, which enhances the global, rather than local, homophily of graphs as a defense. Experiments show that the proposed approach notably outperforms state-of-the-art defense approaches, while imposing little computational overhead.
Predictability Analysis of Regression Problems via Conditional Entropy Estimations
Authors: Yu-Hsueh Fang, Chia-Yen Lee
Date: 2024-06-06 00:00:00
Tasks: regression

In the field of machine learning, regression problems are pivotal due to their ability to predict continuous outcomes. Traditional error metrics like mean squared error, mean absolute error, and coefficient of determination measure model accuracy. The model accuracy is the consequence of the selected model and the features, which blurs the analysis of contribution. Predictability, in the other hand, focus on the predictable level of a target variable given a set of features. This study introduces conditional entropy estimators to assess predictability in regression problems, bridging this gap. We enhance and develop reliable conditional entropy estimators, particularly the KNIFE-P estimator and LMC-P estimator, which offer under- and over-estimation, providing a practical framework for predictability analysis. Extensive experiments on synthesized and real-world datasets demonstrate the robustness and utility of these estimators. Additionally, we extend the analysis to the coefficient of determination \(R^2 \), enhancing the interpretability of predictability. The results highlight the effectiveness of KNIFE-P and LMC-P in capturing the achievable performance and limitations of feature sets, providing valuable tools in the development of regression models. These indicators offer a robust framework for assessing the predictability for regression problems.
Subspace Clustering in Wavelet Packets Domain
Authors: Ivica Kopriva, Damir Sersic
Date: 2024-06-06 00:00:00
Tasks: Clustering, Representation Learning

Subspace clustering (SC) algorithms utilize the union of subspaces model to cluster data points according to the subspaces from which they are drawn. To better address separability of subspaces and robustness to noise we propose a wavelet packet (WP) based transform domain subspace clustering. Depending on the number of resolution levels, WP yields several representations instantiated in terms of subbands. The first approach combines original and subband data into one complementary multi-view representation. Afterward, we formulate joint representation learning as a low-rank MERA tensor network approximation problem. That is motivated by the strong representation power of the MERA network to capture complex intra/inter-view dependencies in corresponding self-representation tensor. In the second approach, we use a self-stopping computationally efficient method to select the subband with the smallest clustering error on the validation set. When existing SC algorithms are applied to the chosen subband, their performance is expected to improve. Consequently, both approaches enable the re-use of SC algorithms developed so far. Improved clustering performance is due to the dual nature of subbands as representations and filters, which is essential for noise suppression. We exemplify the proposed WP domain approach to SC on the MERA tensor network and eight other well-known linear SC algorithms using six well-known image datasets representing faces, digits, and objects. Although WP domain-based SC is a linear method, it achieved clustering performance comparable with some best deep SC algorithms and outperformed many other deep SC algorithms by a significant margin. That is in particular case for the WP MERA SC algorithm. On the COIL100 dataset, it achieves an accuracy of 87.45% and outperforms the best deep SC competitor in the amount of 14.75%.
How does Inverse RL Scale to Large State Spaces? A Provably Efficient Approach
Authors: Filippo Lazzati, Mirco Mutti, Alberto Maria Metelli
Date: 2024-06-06 00:00:00

In online Inverse Reinforcement Learning (IRL), the learner can collect samples about the dynamics of the environment to improve its estimate of the reward function. Since IRL suffers from identifiability issues, many theoretical works on online IRL focus on estimating the entire set of rewards that explain the demonstrations, named the feasible reward set. However, none of the algorithms available in the literature can scale to problems with large state spaces. In this paper, we focus on the online IRL problem in Linear Markov Decision Processes (MDPs). We show that the structure offered by Linear MDPs is not sufficient for efficiently estimating the feasible set when the state space is large. As a consequence, we introduce the novel framework of rewards compatibility, which generalizes the notion of feasible set, and we develop CATY-IRL, a sample efficient algorithm whose complexity is independent of the cardinality of the state space in Linear MDPs. When restricted to the tabular setting, we demonstrate that CATY-IRL is minimax optimal up to logarithmic factors. As a by-product, we show that Reward-Free Exploration (RFE) enjoys the same worst-case rate, improving over the state-of-the-art lower bound. Finally, we devise a unifying framework for IRL and RFE that may be of independent interest.
Spherinator and HiPSter: Representation Learning for Unbiased Knowledge Discovery from Simulations
Authors: Kai L. Polsterer, Bernd Doser, Andreas Fehlner, Sebastian Trujillo-Gomez
Date: 2024-06-06 00:00:00
Tasks: Dimensionality Reduction, Representation Learning

Simulations are the best approximation to experimental laboratories in astrophysics and cosmology. However, the complexity, richness, and large size of their outputs severely limit the interpretability of their predictions. We describe a new, unbiased, and machine learning based approach to obtaining useful scientific insights from a broad range of simulations. The method can be used on today's largest simulations and will be essential to solve the extreme data exploration and analysis challenges posed by the Exascale era. Furthermore, this concept is so flexible, that it will also enable explorative access to observed data. Our concept is based on applying nonlinear dimensionality reduction to learn compact representations of the data in a low-dimensional space. The simulation data is projected onto this space for interactive inspection, visual interpretation, sample selection, and local analysis. We present a prototype using a rotational invariant hyperspherical variational convolutional autoencoder, utilizing a power distribution in the latent space, and trained on galaxies from IllustrisTNG simulation. Thereby, we obtain a natural Hubble tuning fork like similarity space that can be visualized interactively on the surface of a sphere by exploiting the power of HiPS tilings in Aladin Lite.
Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models
Authors: Zun Wang, Chang Liu, Nianlong Zou, He Zhang, Xinran Wei, Lin Huang, Lijun Wu, Bin Shao
Date: 2024-06-06 00:00:00

In this study, we introduce a unified neural network architecture, the Deep Equilibrium Density Functional Theory Hamiltonian (DEQH) model, which incorporates Deep Equilibrium Models (DEQs) for predicting Density Functional Theory (DFT) Hamiltonians. The DEQH model inherently captures the self-consistency nature of Hamiltonian, a critical aspect often overlooked by traditional machine learning approaches for Hamiltonian prediction. By employing DEQ within our model architecture, we circumvent the need for DFT calculations during the training phase to introduce the Hamiltonian's self-consistency, thus addressing computational bottlenecks associated with large or complex systems. We propose a versatile framework that combines DEQ with off-the-shelf machine learning models for predicting Hamiltonians. When benchmarked on the MD17 and QH9 datasets, DEQHNet, an instantiation of the DEQH framework, has demonstrated a significant improvement in prediction accuracy. Beyond a predictor, the DEQH model is a Hamiltonian solver, in the sense that it uses the fixed-point solving capability of the deep equilibrium model to iteratively solve for the Hamiltonian. Ablation studies of DEQHNet further elucidate the network's effectiveness, offering insights into the potential of DEQ-integrated networks for Hamiltonian learning. We open source our implementation at https://github.com/Zun-Wang/DEQHNet.
Speed of Light Exact Greedy Decoding for RNN-T Speech Recognition Models on GPU
Authors: Daniel Galvez, Vladimir Bataev, Hainan Xu, Tim Kaldewey
Date: 2024-06-06 00:00:00
Tasks: GPU, speech-recognition, Speech Recognition

The vast majority of inference time for RNN Transducer (RNN-T) models today is spent on decoding. Current state-of-the-art RNN-T decoding implementations leave the GPU idle ~80% of the time. Leveraging a new CUDA 12.4 feature, CUDA graph conditional nodes, we present an exact GPU-based implementation of greedy decoding for RNN-T models that eliminates this idle time. Our optimizations speed up a 1.1 billion parameter RNN-T model end-to-end by a factor of 2.5x. This technique can applied to the "label looping" alternative greedy decoding algorithm as well, achieving 1.7x and 1.4x end-to-end speedups when applied to 1.1 billion parameter RNN-T and Token and Duration Transducer models respectively. This work enables a 1.1 billion parameter RNN-T model to run only 16% slower than a similarly sized CTC model, contradicting the common belief that RNN-T models are not suitable for high throughput inference. The implementation is available in NVIDIA NeMo.
Projection-Free Variance Reduction Methods for Stochastic Constrained Multi-Level Compositional Optimization
Authors: Wei Jiang, Sifan Yang, Wenhao Yang, Yibo Wang, Yuanyu Wan, Lijun Zhang
Date: 2024-06-06 00:00:00

This paper investigates projection-free algorithms for stochastic constrained multi-level optimization. In this context, the objective function is a nested composition of several smooth functions, and the decision set is closed and convex. Existing projection-free algorithms for solving this problem suffer from two limitations: 1) they solely focus on the gradient mapping criterion and fail to match the optimal sample complexities in unconstrained settings; 2) their analysis is exclusively applicable to non-convex functions, without considering convex and strongly convex objectives. To address these issues, we introduce novel projection-free variance reduction algorithms and analyze their complexities under different criteria. For gradient mapping, our complexities improve existing results and match the optimal rates for unconstrained problems. For the widely-used Frank-Wolfe gap criterion, we provide theoretical guarantees that align with those for single-level problems. Additionally, by using a stage-wise adaptation, we further obtain complexities for convex and strongly convex functions. Finally, numerical experiments on different tasks demonstrate the effectiveness of our methods.
DeepRacer on Physical Track: Parameters Exploration and Performance Evaluation
Authors: Sinan Koparan, Bahman Javadi
Date: 2024-06-06 00:00:00
Tasks: Object

This paper focuses on the physical racetrack capabilities of AWS DeepRacer. Two separate experiments were conducted. The first experiment (Experiment I) focused on evaluating the impact of hyperparameters on the physical environment. Hyperparameters such as gradient descent batch size and loss type were changed systematically as well as training time settings. The second experiment (Experiment II) focused on exploring AWS DeepRacer object avoidance in the physical environment. It was uncovered that in the simulated environment, models with a higher gradient descent batch size had better performance than models with a lower gradient descent batch size. Alternatively, in the physical environment, a gradient descent batch size of 128 appears to be preferable. It was found that models using the loss type of Huber outperformed models that used the loss type of MSE in both the simulated and physical environments. Finally, object avoidance in the simulated environment appeared to be effective; however, when bringing these models to the physical environment, there was a pronounced challenge to avoid objects. Therefore, object avoidance in the physical environment remains an open challenge.
Privacy Preserving Semi-Decentralized Mean Estimation over Intermittently-Connected Networks
Authors: Rajarshi Saha, Mohamed Seif, Michal Yemini, Andrea J. Goldsmith, H. Vincent Poor
Date: 2024-06-06 00:00:00
Tasks: Privacy Preserving

We consider the problem of privately estimating the mean of vectors distributed across different nodes of an unreliable wireless network, where communications between nodes can fail intermittently. We adopt a semi-decentralized setup, wherein to mitigate the impact of intermittently connected links, nodes can collaborate with their neighbors to compute a local consensus, which they relay to a central server. In such a setting, the communications between any pair of nodes must ensure that the privacy of the nodes is rigorously maintained to prevent unauthorized information leakage. We study the tradeoff between collaborative relaying and privacy leakage due to the data sharing among nodes and, subsequently, propose PriCER: Private Collaborative Estimation via Relaying -- a differentially private collaborative algorithm for mean estimation to optimize this tradeoff. The privacy guarantees of PriCER arise (i) implicitly, by exploiting the inherent stochasticity of the flaky network connections, and (ii) explicitly, by adding Gaussian perturbations to the estimates exchanged by the nodes. Local and central privacy guarantees are provided against eavesdroppers who can observe different signals, such as the communications amongst nodes during local consensus and (possibly multiple) transmissions from the relays to the central server. We substantiate our theoretical findings with numerical simulations. Our implementation is available at https://github.com/rajarshisaha95/private-collaborative-relaying.
RoboCoder: Robotic Learning from Basic Skills to General Tasks with Large Language Models
Authors: Jingyao Li, Pengguang Chen, Sitong Wu, Chuanyang Zheng, Hong Xu, Jiaya Jia
Date: 2024-06-06 00:00:00

The emergence of Large Language Models (LLMs) has improved the prospects for robotic tasks. However, existing benchmarks are still limited to single tasks with limited generalization capabilities. In this work, we introduce a comprehensive benchmark and an autonomous learning framework, RoboCoder aimed at enhancing the generalization capabilities of robots in complex environments. Unlike traditional methods that focus on single-task learning, our research emphasizes the development of a general-purpose robotic coding algorithm that enables robots to leverage basic skills to tackle increasingly complex tasks. The newly proposed benchmark consists of 80 manually designed tasks across 7 distinct entities, testing the models' ability to learn from minimal initial mastery. Initial testing revealed that even advanced models like GPT-4 could only achieve a 47% pass rate in three-shot scenarios with humanoid entities. To address these limitations, the RoboCoder framework integrates Large Language Models (LLMs) with a dynamic learning system that uses real-time environmental feedback to continuously update and refine action codes. This adaptive method showed a remarkable improvement, achieving a 36% relative improvement. Our codes will be released.
Adaptive Multi-Scale Decomposition Framework for Time Series Forecasting
Authors: Yifan Hu, Peiyuan Liu, Peng Zhu, Dawei Cheng, Tao Dai
Date: 2024-06-06 00:00:00
Tasks: Computational Efficiency, Data Integration, Time Series, Time Series Forecasting

Transformer-based and MLP-based methods have emerged as leading approaches in time series forecasting (TSF). While Transformer-based methods excel in capturing long-range dependencies, they suffer from high computational complexities and tend to overfit. Conversely, MLP-based methods offer computational efficiency and adeptness in modeling temporal dynamics, but they struggle with capturing complex temporal patterns effectively. To address these challenges, we propose a novel MLP-based Adaptive Multi-Scale Decomposition (AMD) framework for TSF. Our framework decomposes time series into distinct temporal patterns at multiple scales, leveraging the Multi-Scale Decomposable Mixing (MDM) block to dissect and aggregate these patterns in a residual manner. Complemented by the Dual Dependency Interaction (DDI) block and the Adaptive Multi-predictor Synthesis (AMS) block, our approach effectively models both temporal and channel dependencies and utilizes autocorrelation to refine multi-scale data integration. Comprehensive experiments demonstrate that our AMD framework not only overcomes the limitations of existing methods but also consistently achieves state-of-the-art performance in both long-term and short-term forecasting tasks across various datasets, showcasing superior efficiency. Code is available at \url{https://github.com/TROUBADOUR000/AMD}
Your Absorbing Discrete Diffusion Secretly Models the Conditional Distributions of Clean Data
Authors: Jingyang Ou, Shen Nie, Kaiwen Xue, Fengqi Zhu, Jiacheng Sun, Zhenguo Li, Chongxuan Li
Date: 2024-06-06 00:00:00
Tasks: Denoising, Language Modeling, Language Modelling

Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by this finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval. Empirically, RADD is up to 3.5 times faster while achieving similar performance with the strongest baseline. Built upon the new perspective of conditional distributions, we further unify absorbing discrete diffusion and any-order autoregressive models (AO-ARMs), showing that the upper bound on the negative log-likelihood for the diffusion model can be interpreted as an expected negative log-likelihood for AO-ARMs. Further, our RADD models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale. Our code is available at https://github.com/ML-GSAI/RADD.
Phase-Amplitude Reduction-Based Imitation Learning
Authors: Satoshi Yamamori, Jun Morimoto
Date: 2024-06-06 00:00:00
Tasks: Imitation Learning

In this study, we propose the use of the phase-amplitude reduction method to construct an imitation learning framework. Imitating human movement trajectories is recognized as a promising strategy for generating a range of human-like robot movements. Unlike previous dynamical system-based imitation learning approaches, our proposed method allows the robot not only to imitate a limit cycle trajectory but also to replicate the transient movement from the initial or disturbed state to the limit cycle. Consequently, our method offers a safer imitation learning approach that avoids generating unpredictable motions immediately after disturbances or from a specified initial state. We first validated our proposed method by reconstructing a simple limit-cycle attractor. We then compared the proposed approach with a conventional method on a lemniscate trajectory tracking task with a simulated robot arm. Our findings confirm that our proposed method can more accurately generate transient movements to converge on a target periodic attractor compared to the previous standard approach. Subsequently, we applied our method to a real robot arm to imitate periodic human movements.