Machine Learning (cs.LG)

Abstract: Diffusion probabilistic models (DPMs) are a new class of generative models that have achieved state-of-the-art generation quality in various domains. Despite the promise, one major drawback of DPMs is the slow generation speed due to the large number of neural network evaluations required in the generation process. In this paper, we reveal an overlooked dimension -- model schedule -- for optimizing the trade-off between generation quality and speed. More specifically, we observe that small models, though having worse generation quality when used alone, could outperform large models in certain generation steps. Therefore, unlike the traditional way of using a single model, using different models in different generation steps in a carefully designed \emph{model schedule} could potentially improve generation quality and speed \emph{simultaneously}. We design OMS-DPM, a predictor-based search algorithm, to optimize the model schedule given an arbitrary generation time budget and a set of pre-trained models. We demonstrate that OMS-DPM can find model schedules that improve generation quality and speed than prior state-of-the-art methods across CIFAR-10, CelebA, ImageNet, and LSUN datasets. When applied to the public checkpoints of the Stable Diffusion model, we are able to accelerate the sampling by 2$\times$ while maintaining the generation quality.

Abstract: Learning representations according to the underlying geometry is of vital importance for non-Euclidean data. Studies have revealed that the hyperbolic space can effectively embed hierarchical or tree-like data. In particular, the few past years have witnessed a rapid development of hyperbolic neural networks. However, it is challenging to learn good hyperbolic representations since common Euclidean neural operations, such as convolution, do not extend to the hyperbolic space. Most hyperbolic neural networks do not embrace the convolution operation and ignore local patterns. Others either only use non-hyperbolic convolution, or miss essential properties such as equivariance to permutation. We propose HKConv, a novel trainable hyperbolic convolution which first correlates trainable local hyperbolic features with fixed kernel points placed in the hyperbolic space, then aggregates the output features within a local neighborhood. HKConv not only expressively learns local features according to the hyperbolic geometry, but also enjoys equivariance to permutation of hyperbolic points and invariance to parallel transport of a local neighborhood. We show that neural networks with HKConv layers advance state-of-the-art in various tasks.

Abstract: To accelerate distributed training, many gradient compression methods have been proposed to alleviate the communication bottleneck in synchronous stochastic gradient descent (S-SGD), but their efficacy in real-world applications still remains unclear. In this work, we first evaluate the efficiency of three representative compression methods (quantization with Sign-SGD, sparsification with Top-k SGD, and low-rank with Power-SGD) on a 32-GPU cluster. The results show that they cannot always outperform well-optimized S-SGD or even worse due to their incompatibility with three key system optimization techniques (all-reduce, pipelining, and tensor fusion) in S-SGD. To this end, we propose a novel gradient compression method, called alternate compressed Power-SGD (ACP-SGD), which alternately compresses and communicates low-rank matrices. ACP-SGD not only significantly reduces the communication volume, but also enjoys the three system optimizations like S-SGD. Compared with Power-SGD, the optimized ACP-SGD can largely reduce the compression and communication overheads, while achieving similar model accuracy. In our experiments, ACP-SGD achieves an average of 4.06x and 1.43x speedups over S-SGD and Power-SGD, respectively, and it consistently outperforms other baselines across different setups (from 8 GPUs to 64 GPUs and from 1Gb/s Ethernet to 100Gb/s InfiniBand).

Abstract: Offline reinforcement learning (RL) that learns policies from offline datasets without environment interaction has received considerable attention in recent years. Compared with the rich literature in the single-agent case, offline multi-agent RL is still a relatively underexplored area. Most existing methods directly apply offline RL ingredients in the multi-agent setting without fully leveraging the decomposable problem structure, leading to less satisfactory performance in complex tasks. We present OMAC, a new offline multi-agent RL algorithm with coupled value factorization. OMAC adopts a coupled value factorization scheme that decomposes the global value function into local and shared components, and also maintains the credit assignment consistency between the state-value and Q-value functions. Moreover, OMAC performs in-sample learning on the decomposed local state-value functions, which implicitly conducts max-Q operation at the local level while avoiding distributional shift caused by evaluating out-of-distribution actions. Based on the comprehensive evaluations of the offline multi-agent StarCraft II micro-management tasks, we demonstrate the superior performance of OMAC over the state-of-the-art offline multi-agent RL methods.

Abstract: Finding multiple temporal relationships among locations can benefit a bunch of urban applications, such as dynamic offline advertising and smart public transport planning. While some efforts have been made on finding static relationships among locations, little attention is focused on studying time-aware location relationships. Indeed, abundant location-based human activities are time-varying and the availability of these data enables a new paradigm for understanding the dynamic relationships in a period among connective locations. To this end, we propose to study a new problem, namely multi-Temporal relationship inference among locations (Trial for short), where the major challenge is how to integrate dynamic and geographical influence under the relationship sparsity constraint. Specifically, we propose a solution to Trial with a graph learning scheme, which includes a spatially evolving graph neural network (SEENet) with two collaborative components: spatially evolving graph convolution module (SEConv) and spatially evolving self-supervised learning strategy (SE-SSL). SEConv performs the intra-time aggregation and inter-time propagation to capture the multifaceted spatially evolving contexts from the view of location message passing. In addition, SE-SSL designs time-aware self-supervised learning tasks in a global-local manner with additional evolving constraint to enhance the location representation learning and further handle the relationship sparsity. Finally, experiments on four real-world datasets demonstrate the superiority of our method over several state-of-the-art approaches.

Abstract: Machine learning is frequently used in affective computing, but presents challenges due the opacity of state-of-the-art machine learning methods. Because of the impact affective machine learning systems may have on an individual's life, it is important that models be made transparent to detect and mitigate biased decision making. In this regard, affective machine learning could benefit from the recent advancements in explainable artificial intelligence (XAI) research. We perform a structured literature review to examine the use of interpretability in the context of affective machine learning. We focus on studies using audio, visual, or audiovisual data for model training and identified 29 research articles. Our findings show an emergence of the use of interpretability methods in the last five years. However, their use is currently limited regarding the range of methods used, the depth of evaluations, and the consideration of use-cases. We outline the main gaps in the research and provide recommendations for researchers that aim to implement interpretable methods for affective machine learning.

Abstract: Representation learning based on multi-task pretraining has become a powerful approach in many domains. In particular, task-aware representation learning aims to learn an optimal representation for a specific target task by sampling data from a set of source tasks, while task-agnostic representation learning seeks to learn a universal representation for a class of tasks. In this paper, we propose a general and versatile algorithmic and theoretic framework for \textit{active representation learning}, where the learner optimally chooses which source tasks to sample from. This framework, along with a tractable meta algorithm, allows most arbitrary target and source task spaces (from discrete to continuous), covers both task-aware and task-agnostic settings, and is compatible with deep representation learning practices. We provide several instantiations under this framework, from bilinear and feature-based nonlinear to general nonlinear cases. In the bilinear case, by leveraging the non-uniform spectrum of the task representation and the calibrated source-target relevance, we prove that the sample complexity to achieve $\varepsilon$-excess risk on target scales with $ (k^*)^2 \|v^*\|_2^2 \varepsilon^{-2}$ where $k^*$ is the effective dimension of the target and $\|v^*\|_2^2 \in (0,1]$ represents the connection between source and target space. Compared to the passive one, this can save up to $\frac{1}{d_W}$ of sample complexity, where $d_W$ is the task space dimension. Finally, we demonstrate different instantiations of our meta algorithm in synthetic datasets and robotics problems, from pendulum simulations to real-world drone flight datasets. On average, our algorithms outperform baselines by $20\%-70\%$.

Abstract: While deep learning techniques have become extremely popular for solving a broad range of optimization problems, methods to enforce hard constraints during optimization, particularly on deep neural networks, remain underdeveloped. Inspired by the rich literature on meshless interpolation and its extension to spectral collocation methods in scientific computing, we develop a series of approaches for enforcing hard constraints on neural fields, which we refer to as \emph{Constrained Neural Fields} (CNF). The constraints can be specified as a linear operator applied to the neural field and its derivatives. We also design specific model representations and training strategies for problems where standard models may encounter difficulties, such as conditioning of the system, memory consumption, and capacity of the network when being constrained. Our approaches are demonstrated in a wide range of real-world applications. Additionally, we develop a framework that enables highly efficient model and constraint specification, which can be readily applied to any downstream task where hard constraints need to be explicitly satisfied during optimization.

Abstract: While there exist many ways to deploy machine learning models on microcontrollers, it is non-trivial to choose the optimal combination of frameworks and targets for a given application. Thus, automating the end-to-end benchmarking flow is of high relevance nowadays. A tool called MLonMCU is proposed in this paper and demonstrated by benchmarking the state-of-the-art TinyML frameworks TFLite for Microcontrollers and TVM effortlessly with a large number of configurations in a low amount of time.

Abstract: Active learning is a paradigm that significantly enhances the performance of machine learning models when acquiring labeled data is expensive. While several benchmarks exist for evaluating active learning strategies, their findings exhibit some misalignment. This discrepancy motivates us to develop a transparent and reproducible benchmark for the community. Our efforts result in an open-sourced implementation (https://github.com/ariapoy/active-learning-benchmark) that is reliable and extensible for future research. By conducting thorough re-benchmarking experiments, we have not only rectified misconfigurations in existing benchmark but also shed light on the under-explored issue of model compatibility, which directly causes the observed discrepancy. Resolving the discrepancy reassures that the uncertainty sampling strategy of active learning remains an effective and preferred choice for most datasets. Our experience highlights the importance of dedicating research efforts towards re-benchmarking existing benchmarks to produce more credible results and gain deeper insights.

Abstract: Partial-label learning is a popular weakly supervised learning setting that allows each training example to be annotated with a set of candidate labels. Previous studies on partial-label learning only focused on the classification setting where candidate labels are all discrete, which cannot handle continuous labels with real values. In this paper, we provide the first attempt to investigate partial-label regression, where each training example is annotated with a set of real-valued candidate labels. To solve this problem, we first propose a simple baseline method that takes the average loss incurred by candidate labels as the predictive loss. The drawback of this method lies in that the loss incurred by the true label may be overwhelmed by other false labels. To overcome this drawback, we propose an identification method that takes the least loss incurred by candidate labels as the predictive loss. We further improve it by proposing a progressive identification method to differentiate candidate labels using progressively updated weights for incurred losses. We prove that the latter two methods are model-consistent and provide convergence analyses. Our proposed methods are theoretically grounded and can be compatible with any models, optimizers, and losses. Experiments validate the effectiveness of our proposed methods.

Abstract: We propose a new generative hierarchical clustering model that learns a flexible tree-based posterior distribution over latent variables. The proposed Tree Variational Autoencoder (TreeVAE) hierarchically divides samples according to their intrinsic characteristics, shedding light on hidden structure in the data. It adapts its architecture to discover the optimal tree for encoding dependencies between latent variables. The proposed tree-based generative architecture permits lightweight conditional inference and improves generative performance by utilizing specialized leaf decoders. We show that TreeVAE uncovers underlying clusters in the data and finds meaningful hierarchical relations between the different groups on a variety of datasets, including real-world imaging data. We present empirically that TreeVAE provides a more competitive log-likelihood lower bound than the sequential counterparts. Finally, due to its generative nature, TreeVAE is able to generate new samples from the discovered clusters via conditional sampling.

Abstract: Momentum has become a crucial component in deep learning optimizers, necessitating a comprehensive understanding of when and why it accelerates stochastic gradient descent (SGD). To address the question of ''when'', we establish a meaningful comparison framework that examines the performance of SGD with Momentum (SGDM) under the \emph{effective learning rates} $\eta_{ef}$, a notion unifying the influence of momentum coefficient $\mu$ and batch size $b$ over learning rate $\eta$. In the comparison of SGDM and SGD with the same effective learning rate and the same batch size, we observe a consistent pattern: when $\eta_{ef}$ is small, SGDM and SGD experience almost the same empirical training losses; when $\eta_{ef}$ surpasses a certain threshold, SGDM begins to perform better than SGD. Furthermore, we observe that the advantage of SGDM over SGD becomes more pronounced with a larger batch size. For the question of ``why'', we find that the momentum acceleration is closely related to \emph{abrupt sharpening} which is to describe a sudden jump of the directional Hessian along the update direction. Specifically, the misalignment between SGD and SGDM happens at the same moment that SGD experiences abrupt sharpening and converges slower. Momentum improves the performance of SGDM by preventing or deferring the occurrence of abrupt sharpening. Together, this study unveils the interplay between momentum, learning rates, and batch sizes, thus improving our understanding of momentum acceleration.

Abstract: By default neural networks are not robust to changes in data distribution. This has been demonstrated with simple image corruptions, such as blurring or adding noise, degrading image classification performance. Many methods have been proposed to mitigate these issues but for the most part models are evaluated on single corruptions. In reality, visual space is compositional in nature, that is, that as well as robustness to elemental corruptions, robustness to compositions of corruptions is also needed. In this work we develop a compositional image classification task where, given a few elemental corruptions, models are asked to generalize to compositions of these corruptions. That is, to achieve compositional robustness. We experimentally compare empirical risk minimization with an invariance building pairwise contrastive loss and, counter to common intuitions in domain generalization, achieve only marginal improvements in compositional robustness by encouraging invariance. To move beyond invariance, following previously proposed inductive biases that model architectures should reflect data structure, we introduce a modular architecture whose structure replicates the compositional nature of the task. We then show that this modular approach consistently achieves better compositional robustness than non-modular approaches. We additionally find empirical evidence that the degree of invariance between representations of 'in-distribution' elemental corruptions fails to correlate with robustness to 'out-of-distribution' compositions of corruptions.

Abstract: In this paper the concept of a machine learning based hands-on detection algorithm is proposed. The hand detection is implemented on the hardware side using a capacitive method. A sensor mat in the steering wheel detects a change in capacity as soon as the driver's hands come closer. The evaluation and final decision about hands-on or hands-off situations is done using machine learning. In order to find a suitable machine learning model, different models are implemented and evaluated. Based on accuracy, memory consumption and computational effort the most promising one is selected and ported on a micro controller. The entire system is then evaluated in terms of reliability and response time.

Abstract: Learning paradigms based purely on offline data as well as those based solely on sequential online learning have been well-studied in the literature. In this paper, we consider combining offline data with online learning, an area less studied but of obvious practical importance. We consider the stochastic $K$-armed bandit problem, where our goal is to identify the arm with the highest mean in the presence of relevant offline data, with confidence $1-\delta$. We conduct a lower bound analysis on policies that provide such $1-\delta$ probabilistic correctness guarantees. We develop algorithms that match the lower bound on sample complexity when $\delta$ is small. Our algorithms are computationally efficient with an average per-sample acquisition cost of $\tilde{O}(K)$, and rely on a careful characterization of the optimality conditions of the lower bound problem.

Abstract: Optimization of rotating electrical machines is both time- and computationally expensive. Because of the different parametrization, design optimization is commonly executed separately for each machine technology. In this paper, we present the application of a variational auto-encoder (VAE) to optimize two different machine technologies simultaneously, namely an asynchronous machine and a permanent magnet synchronous machine. After training, we employ a deep neural network and a decoder as meta-models to predict global key performance indicators (KPIs) and generate associated new designs, respectively, through unified latent space in the optimization loop. Numerical results demonstrate concurrent parametric multi-objective technology optimization in the high-dimensional design space. The VAE-based approach is quantitatively compared to a classical deep learning-based direct approach for KPIs prediction.

Abstract: Magneto-static finite element (FE) simulations make numerical optimization of electrical machines very time-consuming and computationally intensive during the design stage. In this paper, we present the application of a hybrid data-and physics-driven model for numerical optimization of permanent magnet synchronous machines (PMSM). Following the data-driven supervised training, deep neural network (DNN) will act as a meta-model to characterize the electromagnetic behavior of PMSM by predicting intermediate FE measures. These intermediate measures are then post-processed with various physical models to compute the required key performance indicators (KPIs), e.g., torque, shaft power, and material costs. We perform multi-objective optimization with both classical FE and a hybrid approach using a nature-inspired evolutionary algorithm. We show quantitatively that the hybrid approach maintains the quality of Pareto results better or close to conventional FE simulation-based optimization while being computationally very cheap.

Abstract: Schr\"odinger bridges (SBs) provide an elegant framework for modeling the temporal evolution of populations in physical, chemical, or biological systems. Such natural processes are commonly subject to changes in population size over time due to the emergence of new species or birth and death events. However, existing neural parameterizations of SBs such as diffusion Schr\"odinger bridges (DSBs) are restricted to settings in which the endpoints of the stochastic process are both probability measures and assume conservation of mass constraints. To address this limitation, we introduce unbalanced DSBs which model the temporal evolution of marginals with arbitrary finite mass. This is achieved by deriving the time reversal of stochastic differential equations with killing and birth terms. We present two novel algorithmic schemes that comprise a scalable objective function for training unbalanced DSBs and provide a theoretical analysis alongside challenging applications on predicting heterogeneous molecular single-cell responses to various cancer drugs and simulating the emergence and spread of new viral variants.

Abstract: Although powerful graph neural networks (GNNs) have boosted numerous real-world applications, the potential privacy risk is still underexplored. To close this gap, we perform the first comprehensive study of graph reconstruction attack that aims to reconstruct the adjacency of nodes. We show that a range of factors in GNNs can lead to the surprising leakage of private links. Especially by taking GNNs as a Markov chain and attacking GNNs via a flexible chain approximation, we systematically explore the underneath principles of graph reconstruction attack, and propose two information theory-guided mechanisms: (1) the chain-based attack method with adaptive designs for extracting more private information; (2) the chain-based defense method that sharply reduces the attack fidelity with moderate accuracy loss. Such two objectives disclose a critical belief that to recover better in attack, you must extract more multi-aspect knowledge from the trained GNN; while to learn safer for defense, you must forget more link-sensitive information in training GNNs. Empirically, we achieve state-of-the-art results on six datasets and three common GNNs. The code is publicly available at: https://github.com/tmlr-group/MC-GRA.

Abstract: In recent years, Machine Learning algorithms, in particular supervised learning techniques, have been shown to be very effective in solving regression problems. We compare the performance of a newly proposed regression algorithm against four conventional machine learning algorithms namely, Decision Trees, Random Forest, k-Nearest Neighbours and XG Boost. The proposed algorithm was presented in detail in a previous paper but detailed comparisons were not included. We do an in-depth comparison, using the Mean Absolute Error (MAE) as the performance metric, on a diverse set of datasets to illustrate the great potential and robustness of the proposed approach. The reader is free to replicate our results since we have provided the source code in a GitHub repository while the datasets are publicly available.

Abstract: The non-Euclidean geometry of hyperbolic spaces has recently garnered considerable attention in the realm of representation learning. Current endeavors in hyperbolic representation largely presuppose that the underlying hierarchies can be automatically inferred and preserved through the adaptive optimization process. This assumption, however, is questionable and requires further validation. In this work, we first introduce a position-tracking mechanism to scrutinize existing prevalent \hlms, revealing that the learned representations are sub-optimal and unsatisfactory. To address this, we propose a simple yet effective method, hyperbolic informed embedding (HIE), by incorporating cost-free hierarchical information deduced from the hyperbolic distance of the node to origin (i.e., induced hyperbolic norm) to advance existing \hlms. The proposed method HIE is both task-agnostic and model-agnostic, enabling its seamless integration with a broad spectrum of models and tasks. Extensive experiments across various models and different tasks demonstrate the versatility and adaptability of the proposed method. Remarkably, our method achieves a remarkable improvement of up to 21.4\% compared to the competing baselines.

Abstract: When training a Neural Network, it is optimized using the available training data with the hope that it generalizes well to new or unseen testing data. At the same absolute value, a flat minimum in the loss landscape is presumed to generalize better than a sharp minimum. Methods for determining flat minima have been mostly researched for independent and identically distributed (i. i. d.) data such as images. Graphs are inherently non-i. i. d. since the vertices are edge-connected. We investigate flat minima methods and combinations of those methods for training graph neural networks (GNNs). We use GCN and GAT as well as extend Graph-MLP to work with more layers and larger graphs. We conduct experiments on small and large citation, co-purchase, and protein datasets with different train-test splits in both the transductive and inductive training procedure. Results show that flat minima methods can improve the performance of GNN models by over 2 points, if the train-test split is randomized. Following Shchur et al., randomized splits are essential for a fair evaluation of GNNs, as other (fixed) splits like 'Planetoid' are biased. Overall, we provide important insights for improving and fairly evaluating flat minima methods on GNNs. We recommend practitioners to always use weight averaging techniques, in particular EWA when using early stopping. While weight averaging techniques are only sometimes the best performing method, they are less sensitive to hyperparameters, need no additional training, and keep the original model unchanged. All source code is available in https://github.com/Foisunt/FMMs-in-GNNs.

Abstract: Energy time-series analysis describes the process of analyzing past energy observations and possibly external factors so as to predict the future. Different tasks are involved in the general field of energy time-series analysis and forecasting, with electric load demand forecasting, personalized energy consumption forecasting, as well as renewable energy generation forecasting being among the most common ones. Following the exceptional performance of Deep Learning (DL) in a broad area of vision tasks, DL models have successfully been utilized in time-series forecasting tasks. This paper aims to provide insight into various DL methods geared towards improving the performance in energy time-series forecasting tasks, with special emphasis in Greek Energy Market, and equip the reader with the necessary knowledge to apply these methods in practice.

Abstract: We derive the first finite-time logarithmic regret bounds for Bayesian bandits. For Gaussian bandits, we obtain a $O(c_h \log^2 n)$ bound, where $c_h$ is a prior-dependent constant. This matches the asymptotic lower bound of Lai (1987). Our proofs mark a technical departure from prior works, and are simple and general. To show generality, we apply our technique to linear bandits. Our bounds shed light on the value of the prior in the Bayesian setting, both in the objective and as a side information given to the learner. They significantly improve the $\tilde{O}(\sqrt{n})$ bounds, that despite the existing lower bounds, have become standard in the literature.

Abstract: Multivariate sequential data collected in practice often exhibit temporal irregularities, including nonuniform time intervals and component misalignment. However, if uneven spacing and asynchrony are endogenous characteristics of the data rather than a result of insufficient observation, the information content of these irregularities plays a defining role in characterizing the multivariate dependence structure. Existing approaches for probabilistic forecasting either overlook the resulting statistical heterogeneities, are susceptible to imputation biases, or impose parametric assumptions on the data distribution. This paper proposes an end-to-end solution that overcomes these limitations by allowing the observation arrival times to play the central role of model construction, which is at the core of temporal irregularities. To acknowledge temporal irregularities, we first enable unique hidden states for components so that the arrival times can dictate when, how, and which hidden states to update. We then develop a conditional flow representation to non-parametrically represent the data distribution, which is typically non-Gaussian, and supervise this representation by carefully factorizing the log-likelihood objective to select conditional information that facilitates capturing time variation and path dependency. The broad applicability and superiority of the proposed solution are confirmed by comparing it with existing approaches through ablation studies and testing on real-world datasets.

Abstract: Modern machine learning models deployed in the wild can encounter both covariate and semantic shifts, giving rise to the problems of out-of-distribution (OOD) generalization and OOD detection respectively. While both problems have received significant research attention lately, they have been pursued independently. This may not be surprising, since the two tasks have seemingly conflicting goals. This paper provides a new unified approach that is capable of simultaneously generalizing to covariate shifts while robustly detecting semantic shifts. We propose a margin-based learning framework that exploits freely available unlabeled data in the wild that captures the environmental test-time OOD distributions under both covariate and semantic shifts. We show both empirically and theoretically that the proposed margin constraint is the key to achieving both OOD generalization and detection. Extensive experiments show the superiority of our framework, outperforming competitive baselines that specialize in either OOD generalization or OOD detection. Code is publicly available at https://github.com/deeplearning-wisc/scone.

Abstract: Clinical data is often affected by clinically irrelevant factors such as discrepancies between measurement devices or differing processing methods between sites. In the field of machine learning (ML), these factors are known as domains and the distribution differences they cause in the data are known as domain shifts. ML models trained using data from one domain often perform poorly when applied to data from another domain, potentially leading to wrong predictions. As such, developing machine learning models that can generalise well across multiple domains is a challenging yet essential task in the successful application of ML in clinical practice. In this paper, we propose a novel disentangled autoencoder (Dis-AE) neural network architecture that can learn domain-invariant data representations for multi-label classification of medical measurements even when the data is influenced by multiple interacting domain shifts at once. The model utilises adversarial training to produce data representations from which the domain can no longer be determined. We evaluate the model's domain generalisation capabilities on synthetic datasets and full blood count (FBC) data from blood donors as well as primary and secondary care patients, showing that Dis-AE improves model generalisation on multiple domains simultaneously while preserving clinically relevant information.

Abstract: When solving decision-making tasks, humans typically depend on information from two key sources: (1) Historical policy data, which provides interaction replay from the environment, and (2) Analytical insights in natural language form, exposing the invaluable thought process or strategic considerations. Despite this, the majority of preceding research focuses on only one source: they either use historical replay exclusively to directly learn policy or value functions, or engaged in language model training utilizing mere language corpus. In this paper, we argue that a powerful autonomous agent should cover both sources. Thus, we propose ChessGPT, a GPT model bridging policy learning and language modeling by integrating data from these two sources in Chess games. Specifically, we build a large-scale game and language dataset related to chess. Leveraging the dataset, we showcase two model examples ChessCLIP and ChessGPT, integrating policy learning and language modeling. Finally, we propose a full evaluation framework for evaluating language model's chess ability. Experimental results validate our model and dataset's effectiveness. We open source our code, model, and dataset at https://github.com/waterhorse1/ChessGPT.

Abstract: The combinatorial pure exploration (CPE) in the stochastic multi-armed bandit setting (MAB) is a well-studied online decision-making problem: A player wants to find the optimal \emph{action} $\boldsymbol{\pi}^*$ from \emph{action class} $\mathcal{A}$, which is a collection of subsets of arms with certain combinatorial structures. Though CPE can represent many combinatorial structures such as paths, matching, and spanning trees, most existing works focus only on binary action class $\mathcal{A}\subseteq\{0, 1\}^d$ for some positive integer $d$. This binary formulation excludes important problems such as the optimal transport, knapsack, and production planning problems. To overcome this limitation, we extend the binary formulation to real, $\mathcal{A}\subseteq\mathbb{R}^d$, and propose a new algorithm. The only assumption we make is that the number of actions in $\mathcal{A}$ is polynomial in $d$. We show an upper bound of the sample complexity for our algorithm and the action class-dependent lower bound for R-CPE-MAB, by introducing a quantity that characterizes the problem's difficulty, which is a generalization of the notion \emph{width} introduced in Chen et al.[2014].

Abstract: There has been a recent surge of interest in developing generally-capable agents that can adapt to new tasks without additional training in the environment. Learning world models from reward-free exploration is a promising approach, and enables policies to be trained using imagined experience for new tasks. Achieving a general agent requires robustness across different environments. However, different environments may require different amounts of data to learn a suitable world model. In this work, we address the problem of efficiently learning robust world models in the reward-free setting. As a measure of robustness, we consider the minimax regret objective. We show that the minimax regret objective can be connected to minimising the maximum error in the world model across environments. This informs our algorithm, WAKER: Weighted Acquisition of Knowledge across Environments for Robustness. WAKER selects environments for data collection based on the estimated error of the world model for each environment. Our experiments demonstrate that WAKER outperforms naive domain randomisation, resulting in improved robustness, efficiency, and generalisation.

Abstract: Learning to control unknown nonlinear dynamical systems is a fundamental problem in reinforcement learning and control theory. A commonly applied approach is to first explore the environment (exploration), learn an accurate model of it (system identification), and then compute an optimal controller with the minimum cost on this estimated system (policy optimization). While existing work has shown that it is possible to learn a uniformly good model of the system~\citep{mania2020active}, in practice, if we aim to learn a good controller with a low cost on the actual system, certain system parameters may be significantly more critical than others, and we therefore ought to focus our exploration on learning such parameters. In this work, we consider the setting of nonlinear dynamical systems and seek to formally quantify, in such settings, (a) which parameters are most relevant to learning a good controller, and (b) how we can best explore so as to minimize uncertainty in such parameters. Inspired by recent work in linear systems~\citep{wagenmaker2021task}, we show that minimizing the controller loss in nonlinear systems translates to estimating the system parameters in a particular, task-dependent metric. Motivated by this, we develop an algorithm able to efficiently explore the system to reduce uncertainty in this metric, and prove a lower bound showing that our approach learns a controller at a near-instance-optimal rate. Our algorithm relies on a general reduction from policy optimization to optimal experiment design in arbitrary systems, and may be of independent interest. We conclude with experiments demonstrating the effectiveness of our method in realistic nonlinear robotic systems.

Abstract: We consider robot learning in the context of shared autonomy, where control of the system can switch between a human teleoperator and autonomous control. In this setting we address reinforcement learning, and learning from demonstration, where there is a cost associated with human time. This cost represents the human time required to teleoperate the robot, or recover the robot from failures. For each episode, the agent must choose between requesting human teleoperation, or using one of its autonomous controllers. In our approach, we learn to predict the success probability for each controller, given the initial state of an episode. This is used in a contextual multi-armed bandit algorithm to choose the controller for the episode. A controller is learnt online from demonstrations and reinforcement learning so that autonomous performance improves, and the system becomes less reliant on the teleoperator with more experience. We show that our approach to controller selection reduces the human cost to perform two simulated tasks and a single real-world task.

Abstract: We develop a re-weighted gradient descent technique for boosting the performance of deep neural networks. Our algorithm involves the importance weighting of data points during each optimization step. Our approach is inspired by distributionally robust optimization with $f$-divergences, which has been known to result in models with improved generalization guarantees. Our re-weighting scheme is simple, computationally efficient, and can be combined with any popular optimization algorithms such as SGD and Adam. Empirically, we demonstrate our approach's superiority on various tasks, including vanilla classification, classification with label imbalance, noisy labels, domain adaptation, and tabular representation learning. Notably, we obtain improvements of +0.7% and +1.44% over SOTA on DomainBed and Tabular benchmarks, respectively. Moreover, our algorithm boosts the performance of BERT on GLUE benchmarks by +1.94%, and ViT on ImageNet-1K by +0.9%. These results demonstrate the effectiveness of the proposed approach, indicating its potential for improving performance in diverse domains.

Abstract: While much progress has been achieved over the last decades in neuro-inspired machine learning, there are still fundamental theoretical problems in gradient-based learning using combinations of neurons. These problems, such as saddle points and suboptimal plateaus of the cost function, can lead in theory and practice to failures of learning. In addition, the discrete step size selection of the gradient is problematic since too large steps can lead to instability and too small steps slow down the learning. This paper describes an alternative discrete MinMax learning approach for continuous piece-wise linear functions. Global exponential convergence of the algorithm is established using Contraction Theory with Inequality Constraints, which is extended from the continuous to the discrete case in this paper: The parametrization of each linear function piece is, in contrast to deep learning, linear in the proposed MinMax network. This allows a linear regression stability proof as long as measurements do not transit from one linear region to its neighbouring linear region. The step size of the discrete gradient descent is Lagrangian limited orthogonal to the edge of two neighbouring linear functions. It will be shown that this Lagrangian step limitation does not decrease the convergence of the unconstrained system dynamics in contrast to a step size limitation in the direction of the gradient. We show that the convergence rate of a constrained piece-wise linear function learning is equivalent to the exponential convergence rates of the individual local linear regions.

Abstract: Density Based Clustering are a type of Clustering methods using in data mining for extracting previously unknown patterns from data sets. There are a number of density based clustering methods such as DBSCAN, OPTICS, DENCLUE, VDBSCAN, DVBSCAN, DBCLASD and ST-DBSCAN. In this paper, a study of these methods is done along with their characteristics, advantages and disadvantages and most importantly, their applicability to different types of data sets to mine useful and appropriate patterns.

Abstract: Forecasting multivariate time series data, which involves predicting future values of variables over time using historical data, has significant practical applications. Although deep learning-based models have shown promise in this field, they often fail to capture the causal relationship between dependent variables, leading to less accurate forecasts. Additionally, these models cannot handle the cold-start problem in time series data, where certain variables lack historical data, posing challenges in identifying dependencies among variables. To address these limitations, we introduce the Cold Causal Demand Forecasting (CDF-cold) framework that integrates causal inference with deep learning-based models to enhance the forecasting accuracy of multivariate time series data affected by the cold-start problem. To validate the effectiveness of the proposed approach, we collect 15 multivariate time-series datasets containing the network traffic of different Google data centers. Our experiments demonstrate that the CDF-cold framework outperforms state-of-the-art forecasting models in predicting future values of multivariate time series data.

Abstract: Deep neural networks are superior to shallow networks in learning complex representations. As such, there is a fast-growing interest in utilizing them in large-scale settings. The training process of neural networks is already known to be time-consuming, and having a deep architecture only aggravates the issue. This process consists mostly of matrix operations, among which matrix multiplication is the bottleneck. Several sampling-based techniques have been proposed for speeding up the training time of deep neural networks by approximating the matrix products. These techniques fall under two categories: (i) sampling a subset of nodes in every hidden layer as active at every iteration and (ii) sampling a subset of nodes from the previous layer to approximate the current layer's activations using the edges from the sampled nodes. In both cases, the matrix products are computed using only the selected samples. In this paper, we evaluate the scalability of these approaches on CPU machines with limited computational resources. Making a connection between the two research directions as special cases of approximating matrix multiplications in the context of neural networks, we provide a negative theoretical analysis that shows feedforward approximation is an obstacle against scalability. We conduct comprehensive experimental evaluations that demonstrate the most pressing challenges and limitations associated with the studied approaches. We observe that the hashing-based node selection method is not scalable to a large number of layers, confirming our theoretical analysis. Finally, we identify directions for future research.

Abstract: Out-of-Distribution (OOD) detection is critical for the reliable operation of open-world intelligent systems. Despite the emergence of an increasing number of OOD detection methods, the evaluation inconsistencies present challenges for tracking the progress in this field. OpenOOD v1 initiated the unification of the OOD detection evaluation but faced limitations in scalability and usability. In response, this paper presents OpenOOD v1.5, a significant improvement from its predecessor that ensures accurate, standardized, and user-friendly evaluation of OOD detection methodologies. Notably, OpenOOD v1.5 extends its evaluation capabilities to large-scale datasets such as ImageNet, investigates full-spectrum OOD detection which is important yet underexplored, and introduces new features including an online leaderboard and an easy-to-use evaluator. This work also contributes in-depth analysis and insights derived from comprehensive experimental results, thereby enriching the knowledge pool of OOD detection methodologies. With these enhancements, OpenOOD v1.5 aims to drive advancements and offer a more robust and comprehensive evaluation benchmark for OOD detection research.

Abstract: An improved understanding of soil can enable more sustainable land-use practices. Nevertheless, soil is called a complex, living medium due to the complex interaction of different soil processes that limit our understanding of soil. Process-based models and analyzing observed data provide two avenues for improving our understanding of soil processes. Collecting observed data is cost-prohibitive but reflects real-world behavior, while process-based models can be used to generate ample synthetic data which may not be representative of reality. We propose a framework, knowledge-guided representation learning, and causal structure learning (KGRCL), to accelerate scientific discoveries in soil science. The framework improves representation learning for simulated soil processes via conditional distribution matching with observed soil processes. Simultaneously, the framework leverages both observed and simulated data to learn a causal structure among the soil processes. The learned causal graph is more representative of ground truth than other graphs generated from other causal discovery methods. Furthermore, the learned causal graph is leveraged in a supervised learning setup to predict the impact of fertilizer use and changing weather on soil carbon. We present the results in five different locations to show the improvement in the prediction performance in out-of-sample and few-shots setting.

Abstract: This paper presents a comprehensive benchmarking suite tailored to offline safe reinforcement learning (RL) challenges, aiming to foster progress in the development and evaluation of safe learning algorithms in both the training and deployment phases. Our benchmark suite contains three packages: 1) expertly crafted safe policies, 2) D4RL-styled datasets along with environment wrappers, and 3) high-quality offline safe RL baseline implementations. We feature a methodical data collection pipeline powered by advanced safe RL algorithms, which facilitates the generation of diverse datasets across 38 popular safe RL tasks, from robot control to autonomous driving. We further introduce an array of data post-processing filters, capable of modifying each dataset's diversity, thereby simulating various data collection conditions. Additionally, we provide elegant and extensible implementations of prevalent offline safe RL algorithms to accelerate research in this area. Through extensive experiments with over 50000 CPU and 800 GPU hours of computations, we evaluate and compare the performance of these baseline algorithms on the collected datasets, offering insights into their strengths, limitations, and potential areas of improvement. Our benchmarking framework serves as a valuable resource for researchers and practitioners, facilitating the development of more robust and reliable offline safe RL solutions in safety-critical applications. The benchmark website is available at \url{www.offline-saferl.org}.

Abstract: Reinforcement learning agents deployed in the real world often have to cope with partially observable environments. Therefore, most agents employ memory mechanisms to approximate the state of the environment. Recently, there have been impressive success stories in mastering partially observable environments, mostly in the realm of computer games like Dota 2, StarCraft II, or MineCraft. However, none of these methods are interpretable in the sense that it is not comprehensible for humans how the agent decides which actions to take based on its inputs. Yet, human understanding is necessary in order to deploy such methods in high-stake domains like autonomous driving or medical applications. We propose a novel memory mechanism that operates on human language to illuminate the decision-making process. First, we use CLIP to associate visual inputs with language tokens. Then we feed these tokens to a pretrained language model that serves the agent as memory and provides it with a coherent and interpretable representation of the past. Our memory mechanism achieves state-of-the-art performance in environments where memorizing the past is crucial to solve tasks. Further, we present situations where our memory component excels or fails to demonstrate strengths and weaknesses of our new approach.

Abstract: Machine learning models often learn latent embedding representations that capture the domain semantics of their training data. These embedding representations are valuable for interpreting trained models, building new models, and analyzing new datasets. However, interpreting and using embeddings can be challenging due to their opaqueness, high dimensionality, and the large size of modern datasets. To tackle these challenges, we present WizMap, an interactive visualization tool to help researchers and practitioners easily explore large embeddings. With a novel multi-resolution embedding summarization method and a familiar map-like interaction design, WizMap enables users to navigate and interpret embedding spaces with ease. Leveraging modern web technologies such as WebGL and Web Workers, WizMap scales to millions of embedding points directly in users' web browsers and computational notebooks without the need for dedicated backend servers. WizMap is open-source and available at the following public demo link: https://poloclub.github.io/wizmap.

Abstract: This article provides a comprehensive understanding of optimization in deep learning, with a primary focus on the challenges of gradient vanishing and gradient exploding, which normally lead to diminished model representational ability and training instability, respectively. We analyze these two challenges through several strategic measures, including the improvement of gradient flow and the imposition of constraints on a network's Lipschitz constant. To help understand the current optimization methodologies, we categorize them into two classes: explicit optimization and implicit optimization. Explicit optimization methods involve direct manipulation of optimizer parameters, including weight, gradient, learning rate, and weight decay. Implicit optimization methods, by contrast, focus on improving the overall landscape of a network by enhancing its modules, such as residual shortcuts, normalization methods, attention mechanisms, and activations. In this article, we provide an in-depth analysis of these two optimization classes and undertake a thorough examination of the Jacobian matrices and the Lipschitz constants of many widely used deep learning modules, highlighting existing issues as well as potential improvements. Moreover, we also conduct a series of analytical experiments to substantiate our theoretical discussions. This article does not aim to propose a new optimizer or network. Rather, our intention is to present a comprehensive understanding of optimization in deep learning. We hope that this article will assist readers in gaining a deeper insight in this field and encourages the development of more robust, efficient, and high-performing models.

Abstract: The growing size of datasets and deep learning models has made faster and memory-efficient training crucial. Reversible transformers have recently been introduced as an exciting new method for extremely memory-efficient training, but they come with an additional computation overhead of activation re-computation in the backpropagation phase. We present PaReprop, a fast Parallelized Reversible Backpropagation algorithm that parallelizes the additional activation re-computation overhead in reversible training with the gradient computation itself in backpropagation phase. We demonstrate the effectiveness of the proposed PaReprop algorithm through extensive benchmarking across model families (ViT, MViT, Swin and RoBERTa), data modalities (Vision & NLP), model sizes (from small to giant), and training batch sizes. Our empirical results show that PaReprop achieves up to 20% higher training throughput than vanilla reversible training, largely mitigating the theoretical overhead of 25% lower throughput from activation recomputation in reversible training. Project page: https://tylerzhu.com/pareprop.