Machine Learning (cs.LG)

Abstract: In this study, we address the interpretability issue in complex, black-box Machine Learning models applied to sequence data. We introduce the Model-Based tree Hidden Semi-Markov Model (MOB-HSMM), an inherently interpretable model aimed at detecting high mortality risk events and discovering hidden patterns associated with the mortality risk in Intensive Care Units (ICU). This model leverages knowledge distilled from Deep Neural Networks (DNN) to enhance predictive performance while offering clear explanations. Our experimental results indicate the improved performance of Model-Based trees (MOB trees) via employing LSTM for learning sequential patterns, which are then transferred to MOB trees. Integrating MOB trees with the Hidden Semi-Markov Model (HSMM) in the MOB-HSMM enables uncovering potential and explainable sequences using available information.

Abstract: Graph Neural Networks (GNNs) have proven to be effective in processing and learning from graph-structured data. However, previous works mainly focused on understanding single graph inputs while many real-world applications require pair-wise analysis for graph-structured data (e.g., scene graph matching, code searching, and drug-drug interaction prediction). To this end, recent works have shifted their focus to learning the interaction between pairs of graphs. Despite their improved performance, these works were still limited in that the interactions were considered at the node-level, resulting in high computational costs and suboptimal performance. To address this issue, we propose a novel and efficient graph-level approach for extracting interaction representations using co-attention in graph pooling. Our method, Co-Attention Graph Pooling (CAGPool), exhibits competitive performance relative to existing methods in both classification and regression tasks using real-world datasets, while maintaining lower computational complexity.

Abstract: This paper investigates the impact of big data on deep learning models for full waveform inversion (FWI). While it is well known that big data can boost the performance of deep learning models in many tasks, its effectiveness has not been validated for FWI. To address this gap, we present an empirical study that investigates how deep learning models in FWI behave when trained on OpenFWI, a collection of large-scale, multi-structural datasets published recently. Particularly, we train and evaluate the FWI models on a combination of 10 2D subsets in OpenFWI that contain 470K data pairs in total. Our experiments demonstrate that larger datasets lead to better performance and generalization of deep learning models for FWI. We further demonstrate that model capacity needs to scale in accordance with data size for optimal improvement.

Abstract: We study the asymptotic overfitting behavior of interpolation with minimum norm ($\ell_2$ of the weights) two-layer ReLU networks for noisy univariate regression. We show that overfitting is tempered for the $L_1$ loss, and any $L_p$ loss for $p<2$, but catastrophic for $p\geq 2$.

Abstract: In this paper we present the initial screening order problem, a crucial step within candidate screening. It involves a human-like screener with an objective to find the first k suitable candidates rather than the best k suitable candidates in a candidate pool given an initial screening order. The initial screening order represents the way in which the human-like screener arranges the candidate pool prior to screening. The choice of initial screening order has considerable effects on the selected set of k candidates. We prove that under an unbalanced candidate pool (e.g., having more male than female candidates), the human-like screener can suffer from uneven efforts that hinder its decision-making over the protected, under-represented group relative to the non-protected, over-represented group. Other fairness results are proven under the human-like screener. This research is based on a collaboration with a large company to better understand its hiring process for potential automation. Our main contribution is the formalization of the initial screening order problem which, we argue, opens the path for future extensions of the current works on ranking algorithms, fairness, and automation for screening procedures.

Abstract: Hyperparameter optimization (HPO) is crucial for fine-tuning machine learning models but can be computationally expensive. To reduce costs, Multi-fidelity HPO (MF-HPO) leverages intermediate accuracy levels in the learning process and discards low-performing models early on. We compared various representative MF-HPO methods against a simple baseline on classical benchmark data. The baseline involved discarding all models except the Top-K after training for only one epoch, followed by further training to select the best model. Surprisingly, this baseline achieved similar results to its counterparts, while requiring an order of magnitude less computation. Upon analyzing the learning curves of the benchmark data, we observed a few dominant learning curves, which explained the success of our baseline. This suggests that researchers should (1) always use the suggested baseline in benchmarks and (2) broaden the diversity of MF-HPO benchmarks to include more complex cases.

Abstract: This article provides a comprehensive synthesis of the recent developments in synthetic data generation via deep generative models, focusing on tabular datasets. We specifically outline the importance of synthetic data generation in the context of privacy-sensitive data. Additionally, we highlight the advantages of using deep generative models over other methods and provide a detailed explanation of the underlying concepts, including unsupervised learning, neural networks, and generative models. The paper covers the challenges and considerations involved in using deep generative models for tabular datasets, such as data normalization, privacy concerns, and model evaluation. This review provides a valuable resource for researchers and practitioners interested in synthetic data generation and its applications.

Abstract: In multi-task learning (MTL), gradient balancing has recently attracted more research interest than loss balancing since it often leads to better performance. However, loss balancing is much more efficient than gradient balancing, and thus it is still worth further exploration in MTL. Note that prior studies typically ignore that there exist varying improvable gaps across multiple tasks, where the improvable gap per task is defined as the distance between the current training progress and desired final training progress. Therefore, after loss balancing, the performance imbalance still arises in many cases. In this paper, following the loss balancing framework, we propose two novel improvable gap balancing (IGB) algorithms for MTL: one takes a simple heuristic, and the other (for the first time) deploys deep reinforcement learning for MTL. Particularly, instead of directly balancing the losses in MTL, both algorithms choose to dynamically assign task weights for improvable gap balancing. Moreover, we combine IGB and gradient balancing to show the complementarity between the two types of algorithms. Extensive experiments on two benchmark datasets demonstrate that our IGB algorithms lead to the best results in MTL via loss balancing and achieve further improvements when combined with gradient balancing. Code is available at https://github.com/YanqiDai/IGB4MTL.

Abstract: In small satellites there is less room for heat control equipment, scientific instruments, and electronic components. Furthermore, the near proximity of the electronics makes power dissipation difficult, with the risk of not being able to control the temperature appropriately, reducing component lifetime and mission performance. To address this challenge, taking advantage of the advent of increasing intelligence on board satellites, a deep reinforcement learning based framework that uses Soft Actor-Critic algorithm is proposed for learning the thermal control policy onboard. The framework is evaluated both in a naive simulated environment and in a real space edge processing computer that will be shipped in the future IMAGIN-e mission and hosted in the ISS. The experiment results show that the proposed framework is able to learn to control the payload processing power to maintain the temperature under operational ranges, complementing traditional thermal control systems.

Abstract: We raise concerns about controllers' robustness in simple reinforcement learning benchmark problems. We focus on neural network controllers and their low neuron and symbolic abstractions. A typical controller reaching high mean return values still generates an abundance of persistent low-return solutions, which is a highly undesirable property, easily exploitable by an adversary. We find that the simpler controllers admit more persistent bad solutions. We provide an algorithm for a systematic robustness study and prove existence of persistent solutions and, in some cases, periodic orbits, using a computer-assisted proof methodology.

Abstract: Most group fairness notions detect unethical biases by computing statistical parity metrics on a model's output. However, this approach suffers from several shortcomings, such as philosophical disagreement, mutual incompatibility, and lack of interpretability. These shortcomings have spurred the research on complementary bias detection methods that offer additional transparency into the sources of discrimination and are agnostic towards an a priori decision on the definition of fairness and choice of protected features. A recent proposal in this direction is LUCID (Locating Unfairness through Canonical Inverse Design), where canonical sets are generated by performing gradient descent on the input space, revealing a model's desired input given a preferred output. This information about the model's mechanisms, i.e., which feature values are essential to obtain specific outputs, allows exposing potential unethical biases in its internal logic. Here, we present LUCID-GAN, which generates canonical inputs via a conditional generative model instead of gradient-based inverse design. LUCID-GAN has several benefits, including that it applies to non-differentiable models, ensures that canonical sets consist of realistic inputs, and allows to assess proxy and intersectional discrimination. We empirically evaluate LUCID-GAN on the UCI Adult and COMPAS data sets and show that it allows for detecting unethical biases in black-box models without requiring access to the training data.

Abstract: The numerical approximation of partial differential equations (PDEs) poses formidable challenges in high dimensions since classical grid-based methods suffer from the so-called curse of dimensionality. Recent attempts rely on a combination of Monte Carlo methods and variational formulations, using neural networks for function approximation. Extending previous work (Richter et al., 2021), we argue that tensor trains provide an appealing framework for parabolic PDEs: The combination of reformulations in terms of backward stochastic differential equations and regression-type methods holds the promise of leveraging latent low-rank structures, enabling both compression and efficient computation. Emphasizing a continuous-time viewpoint, we develop iterative schemes, which differ in terms of computational efficiency and robustness. We demonstrate both theoretically and numerically that our methods can achieve a favorable trade-off between accuracy and computational efficiency. While previous methods have been either accurate or fast, we have identified a novel numerical strategy that can often combine both of these aspects.

Abstract: This work investigates the potential of Federated Learning (FL) for official statistics and shows how well the performance of FL models can keep up with centralized learning methods. At the same time, its utilization can safeguard the privacy of data holders, thus facilitating access to a broader range of data and ultimately enhancing official statistics. By simulating three different use cases, important insights on the applicability of the technology are gained. The use cases are based on a medical insurance data set, a fine dust pollution data set and a mobile radio coverage data set - all of which are from domains close to official statistics. We provide a detailed analysis of the results, including a comparison of centralized and FL algorithm performances for each simulation. In all three use cases, we were able to train models via FL which reach a performance very close to the centralized model benchmarks. Our key observations and their implications for transferring the simulations into practice are summarized. We arrive at the conclusion that FL has the potential to emerge as a pivotal technology in future use cases of official statistics.

Abstract: Deep neural networks (DNNs) are vulnerable to backdoor attack, which does not affect the network's performance on clean data but would manipulate the network behavior once a trigger pattern is added. Existing defense methods have greatly reduced attack success rate, but their prediction accuracy on clean data still lags behind a clean model by a large margin. Inspired by the stealthiness and effectiveness of backdoor attack, we propose a simple but highly effective defense framework which injects non-adversarial backdoors targeting poisoned samples. Following the general steps in backdoor attack, we detect a small set of suspected samples and then apply a poisoning strategy to them. The non-adversarial backdoor, once triggered, suppresses the attacker's backdoor on poisoned data, but has limited influence on clean data. The defense can be carried out during data preprocessing, without any modification to the standard end-to-end training pipeline. We conduct extensive experiments on multiple benchmarks with different architectures and representative attacks. Results demonstrate that our method achieves state-of-the-art defense effectiveness with by far the lowest performance drop on clean data. Considering the surprising defense ability displayed by our framework, we call for more attention to utilizing backdoor for backdoor defense. Code is available at https://github.com/damianliumin/non-adversarial_backdoor.

Abstract: We propose a methodology for planting watermarks in text from an autoregressive language model that are robust to perturbations without changing the distribution over text up to a certain maximum generation budget. We generate watermarked text by mapping a sequence of random numbers -- which we compute using a randomized watermark key -- to a sample from the language model. To detect watermarked text, any party who knows the key can align the text to the random number sequence. We instantiate our watermark methodology with two sampling schemes: inverse transform sampling and exponential minimum sampling. We apply these watermarks to three language models -- OPT-1.3B, LLaMA-7B and Alpaca-7B -- to experimentally validate their statistical power and robustness to various paraphrasing attacks. Notably, for both the OPT-1.3B and LLaMA-7B models, we find we can reliably detect watermarked text ($p \leq 0.01$) from $35$ tokens even after corrupting between $40$-$50$\% of the tokens via random edits (i.e., substitutions, insertions or deletions). For the Alpaca-7B model, we conduct a case study on the feasibility of watermarking responses to typical user instructions. Due to the lower entropy of the responses, detection is more difficult: around $25\%$ of the responses -- whose median length is around $100$ tokens -- are detectable with $p \leq 0.01$, and the watermark is also less robust to certain automated paraphrasing attacks we implement.

Abstract: In this work, we show that simultaneously training and mixing neural networks is a promising way to conduct Neural Architecture Search (NAS). For hyperparameter optimization, reusing the partially trained weights allows for efficient search, as was previously demonstrated by the Population Based Training (PBT) algorithm. We propose PBT-NAS, an adaptation of PBT to NAS where architectures are improved during training by replacing poorly-performing networks in a population with the result of mixing well-performing ones and inheriting the weights using the shrink-perturb technique. After PBT-NAS terminates, the created networks can be directly used without retraining. PBT-NAS is highly parallelizable and effective: on challenging tasks (image generation and reinforcement learning) PBT-NAS achieves superior performance compared to baselines (random search and mutation-based PBT).

Abstract: The optimization algorithm and its hyperparameters can significantly affect the training speed and resulting model accuracy in machine learning applications. The wish list for an ideal optimizer includes fast and smooth convergence to low error, low computational demand, and general applicability. Our recently introduced continual resilient (CoRe) optimizer has shown superior performance compared to other state-of-the-art first-order gradient-based optimizers for training lifelong machine learning potentials. In this work we provide an extensive performance comparison of the CoRe optimizer and nine other optimization algorithms including the Adam optimizer and resilient backpropagation (RPROP) for diverse machine learning tasks. We analyze the influence of different hyperparameters and provide generally applicable values. The CoRe optimizer yields best or competitive performance in every investigated application, while only one hyperparameter needs to be changed depending on mini-batch or batch learning.

Abstract: Understanding how external stimuli are encoded in distributed neural activity is of significant interest in clinical and basic neuroscience. To address this need, it is essential to develop analytical tools capable of handling limited data and the intrinsic stochasticity present in neural data. In this study, we propose a straightforward Bayesian time series classifier (BTsC) model that tackles these challenges whilst maintaining a high level of interpretability. We demonstrate the classification capabilities of this approach by utilizing neural data to decode colors in a visual task. The model exhibits consistent and reliable average performance of 75.55% on 4 patients' dataset, improving upon state-of-the-art machine learning techniques by about 3.0 percent. In addition to its high classification accuracy, the proposed BTsC model provides interpretable results, making the technique a valuable tool to study neural activity in various tasks and categories. The proposed solution can be applied to neural data recorded in various tasks, where there is a need for interpretable results and accurate classification accuracy.

Abstract: Adversarial attacks are a major concern in security-centered applications, where malicious actors continuously try to mislead Machine Learning (ML) models into wrongly classifying fraudulent activity as legitimate, whereas system maintainers try to stop them. Adversarially training ML models that are robust against such attacks can prevent business losses and reduce the work load of system maintainers. In such applications data is often tabular and the space available for attackers to manipulate undergoes complex feature engineering transformations, to provide useful signals for model training, to a space attackers cannot access. Thus, we propose a new form of adversarial training where attacks are propagated between the two spaces in the training loop. We then test this method empirically on a real world dataset in the domain of credit card fraud detection. We show that our method can prevent about 30% performance drops under moderate attacks and is essential under very aggressive attacks, with a trade-off loss in performance under no attacks smaller than 7%.

Abstract: Information technology (IT) systems are vital for modern businesses, handling data storage, communication, and process automation. Monitoring these systems is crucial for their proper functioning and efficiency, as it allows collecting extensive observational time series data for analysis. The interest in causal discovery is growing in IT monitoring systems as knowing causal relations between different components of the IT system helps in reducing downtime, enhancing system performance and identifying root causes of anomalies and incidents. It also allows proactive prediction of future issues through historical data analysis. Despite its potential benefits, applying causal discovery algorithms on IT monitoring data poses challenges, due to the complexity of the data. For instance, IT monitoring data often contains misaligned time series, sleeping time series, timestamp errors and missing values. This paper presents case studies on applying causal discovery algorithms to different IT monitoring datasets, highlighting benefits and ongoing challenges.

Abstract: In recurrent neural networks, learning long-term dependency is the main difficulty due to the vanishing and exploding gradient problem. Many researchers are dedicated to solving this issue and they proposed many algorithms. Although these algorithms have achieved great success, understanding how the information decays remains an open problem. In this paper, we study the dynamics of the hidden state in recurrent neural networks. We propose a new perspective to analyze the hidden state space based on an eigen decomposition of the weight matrix. We start the analysis by linear state space model and explain the function of preserving information in activation functions. We provide an explanation for long-term dependency based on the eigen analysis. We also point out the different behavior of eigenvalues for regression tasks and classification tasks. From the observations on well-trained recurrent neural networks, we proposed a new initialization method for recurrent neural networks, which improves consistently performance. It can be applied to vanilla-RNN, LSTM, and GRU. We test on many datasets, such as Tomita Grammars, pixel-by-pixel MNIST datasets, and machine translation datasets (Multi30k). It outperforms the Xavier initializer and kaiming initializer as well as other RNN-only initializers like IRNN and sp-RNN in several tasks.

Abstract: Learning policies from previously recorded data is a promising direction for real-world robotics tasks, as online learning is often infeasible. Dexterous manipulation in particular remains an open problem in its general form. The combination of offline reinforcement learning with large diverse datasets, however, has the potential to lead to a breakthrough in this challenging domain analogously to the rapid progress made in supervised learning in recent years. To coordinate the efforts of the research community toward tackling this problem, we propose a benchmark including: i) a large collection of data for offline learning from a dexterous manipulation platform on two tasks, obtained with capable RL agents trained in simulation; ii) the option to execute learned policies on a real-world robotic system and a simulation for efficient debugging. We evaluate prominent open-sourced offline reinforcement learning algorithms on the datasets and provide a reproducible experimental setup for offline reinforcement learning on real systems.

Abstract: In this paper, we propose a new event memory architecture (MemNet) for recurrent neural networks, which is universal for different types of time series data such as scalar, multivariate or symbolic. Unlike other external neural memory architectures, it stores key-value pairs, which separate the information for addressing and for content to improve the representation, as in the digital archetype. Moreover, the key-value pairs also avoid the compromise between memory depth and resolution that applies to memories constructed by the model state. One of the MemNet key characteristics is that it requires only linear adaptive mapping functions while implementing a nonlinear operation on the input data. MemNet architecture can be applied without modifications to scalar time series, logic operators on strings, and also to natural language processing, providing state-of-the-art results in all application domains such as the chaotic time series, the symbolic operation tasks, and the question-answering tasks (bAbI). Finally, controlled by five linear layers, MemNet requires a much smaller number of training parameters than other external memory networks as well as the transformer network. The space complexity of MemNet equals a single self-attention layer. It greatly improves the efficiency of the attention mechanism and opens the door for IoT applications.