pwc-archive/papers-with-abstracts huggingface dataset:
Counterfactual Explanations for Linear Optimization
Authors: Jannis Kurtz, Ş. İlker Birbil, Dick den Hertog
Date: 2024-05-24 00:00:00
Tasks: counterfactual

The concept of counterfactual explanations (CE) has emerged as one of the important concepts to understand the inner workings of complex AI systems. In this paper, we translate the idea of CEs to linear optimization and propose, motivate, and analyze three different types of CEs: strong, weak, and relative. While deriving strong and weak CEs appears to be computationally intractable, we show that calculating relative CEs can be done efficiently. By detecting and exploiting the hidden convex structure of the optimization problem that arises in the latter case, we show that obtaining relative CEs can be done in the same magnitude of time as solving the original linear optimization problem. This is confirmed by an extensive numerical experiment study on the NETLIB library.
Counterexample-Guided Repair of Reinforcement Learning Systems Using Safety Critics
Authors: David Boetius, Stefan Leue
Date: 2024-05-24 00:00:00
Tasks: Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning

Naively trained Deep Reinforcement Learning agents may fail to satisfy vital safety constraints. To avoid costly retraining, we may desire to repair a previously trained reinforcement learning agent to obviate unsafe behaviour. We devise a counterexample-guided repair algorithm for repairing reinforcement learning systems leveraging safety critics. The algorithm jointly repairs a reinforcement learning agent and a safety critic using gradient-based constrained optimisation.
E(n) Equivariant Topological Neural Networks
Authors: Claudio Battiloro, Ege Karaismailoğlu, Mauricio Tec, George Dasoulas, Michelle Audirac, Francesca Dominici
Date: 2024-05-24 00:00:00
Tasks: Inductive Bias, Molecular Property Prediction, Property Prediction

Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue. TDL enables the principled modeling of arbitrary multi-way, hierarchical higher-order interactions by operating on combinatorial topological spaces, such as simplicial or cell complexes, instead of graphs. However, little is known about how to leverage geometric features such as positions and velocities for TDL. This paper introduces E(n)-Equivariant Topological Neural Networks (ETNNs), which are E(n)-equivariant message-passing networks operating on combinatorial complexes, formal objects unifying graphs, hypergraphs, simplicial, path, and cell complexes. ETNNs incorporate geometric node features while respecting rotation, reflection, and translation equivariance. Moreover, being TDL models, ETNNs are natively ready for settings with heterogeneous interactions. We provide a theoretical analysis to show the improved expressiveness of ETNNs over architectures for geometric graphs. We also show how E(n)-equivariant variants of TDL models can be directly derived from our framework. The broad applicability of ETNNs is demonstrated through two tasks of vastly different scales: i) molecular property prediction on the QM9 benchmark and ii) land-use regression for hyper-local estimation of air pollution with multi-resolution irregular geospatial data. The results indicate that ETNNs are an effective tool for learning from diverse types of richly structured data, as they match or surpass SotA equivariant TDL models with a significantly smaller computational burden, thus highlighting the benefits of a principled geometric inductive bias. Our implementation of ETNNs can be found at https://github.com/NSAPH-Projects/topological-equivariant-networks.
Smoothed Online Classification can be Harder than Batch Classification
Authors: Vinod Raman, Unique Subedi, Ambuj Tewari
Date: 2024-05-24 00:00:00
Tasks: Binary Classification, Classification

We study online classification under smoothed adversaries. In this setting, at each time point, the adversary draws an example from a distribution that has a bounded density with respect to a fixed base measure, which is known apriori to the learner. For binary classification and scalar-valued regression, previous works \citep{haghtalab2020smoothed, block2022smoothed} have shown that smoothed online learning is as easy as learning in the iid batch setting under PAC model. However, we show that smoothed online classification can be harder than the iid batch classification when the label space is unbounded. In particular, we construct a hypothesis class that is learnable in the iid batch setting under the PAC model but is not learnable under the smoothed online model. Finally, we identify a condition that ensures that the PAC learnability of a hypothesis class is sufficient for its smoothed online learnability.
Lost in the Averages: A New Specific Setup to Evaluate Membership Inference Attacks Against Machine Learning Models
Authors: Florent Guépin, Nataša Krčo, Matthieu Meeus, Yves-Alexandre de Montjoye
Date: 2024-05-24 00:00:00

Membership Inference Attacks (MIAs) are widely used to evaluate the propensity of a machine learning (ML) model to memorize an individual record and the privacy risk releasing the model poses. MIAs are commonly evaluated similarly to ML models: the MIA is performed on a test set of models trained on datasets unseen during training, which are sampled from a larger pool, $D_{eval}$. The MIA is evaluated across all datasets in this test set, and is thus evaluated across the distribution of samples from $D_{eval}$. While this was a natural extension of ML evaluation to MIAs, recent work has shown that a record's risk heavily depends on its specific dataset. For example, outliers are particularly vulnerable, yet an outlier in one dataset may not be one in another. The sources of randomness currently used to evaluate MIAs may thus lead to inaccurate individual privacy risk estimates. We propose a new, specific evaluation setup for MIAs against ML models, using weight initialization as the sole source of randomness. This allows us to accurately evaluate the risk associated with the release of a model trained on a specific dataset. Using SOTA MIAs, we empirically show that the risk estimates given by the current setup lead to many records being misclassified as low risk. We derive theoretical results which, combined with empirical evidence, suggest that the risk calculated in the current setup is an average of the risks specific to each sampled dataset, validating our use of weight initialization as the only source of randomness. Finally, we consider an MIA with a stronger adversary leveraging information about the target dataset to infer membership. Taken together, our results show that current MIA evaluation is averaging the risk across datasets leading to inaccurate risk estimates, and the risk posed by attacks leveraging information about the target dataset to be potentially underestimated.
Model-free reinforcement learning with noisy actions for automated experimental control in optics
Authors: Lea Richtmann, Viktoria-S. Schmiesing, Dennis Wilken, Jan Heine, Aaron Tranter, Avishek Anand, Tobias J. Osborne, Michèle Heurs
Date: 2024-05-24 00:00:00
Tasks: Reinforcement Learning (RL)

Setting up and controlling optical systems is often a challenging and tedious task. The high number of degrees of freedom to control mirrors, lenses, or phases of light makes automatic control challenging, especially when the complexity of the system cannot be adequately modeled due to noise or non-linearities. Here, we show that reinforcement learning (RL) can overcome these challenges when coupling laser light into an optical fiber, using a model-free RL approach that trains directly on the experiment without pre-training. By utilizing the sample-efficient algorithms Soft Actor-Critic (SAC) or Truncated Quantile Critics (TQC), our agent learns to couple with 90% efficiency, comparable to the human expert. We demonstrate that direct training on an experiment can replace extensive system modeling. Our result exemplifies RL's potential to tackle problems in optics, paving the way for more complex applications where full noise modeling is not feasible.
Towards Client Driven Federated Learning
Authors: Songze Li, Chenqing Zhu
Date: 2024-05-24 00:00:00
Tasks: Federated Learning

Conventional federated learning (FL) frameworks follow a server-driven model where the server determines session initiation and client participation, which faces challenges in accommodating clients' asynchronous needs for model updates. We introduce Client-Driven Federated Learning (CDFL), a novel FL framework that puts clients at the driving role. In CDFL, each client independently and asynchronously updates its model by uploading the locally trained model to the server and receiving a customized model tailored to its local task. The server maintains a repository of cluster models, iteratively refining them using received client models. Our framework accommodates complex dynamics in clients' data distributions, characterized by time-varying mixtures of cluster distributions, enabling rapid adaptation to new tasks with superior performance. In contrast to traditional clustered FL protocols that send multiple cluster models to a client to perform distribution estimation, we propose a paradigm that offloads the estimation task to the server and only sends a single model to a client, and novel strategies to improve estimation accuracy. We provide a theoretical analysis of CDFL's convergence. Extensive experiments across various datasets and system settings highlight CDFL's substantial advantages in model performance and computation efficiency over baselines.
A Misleading Gallery of Fluid Motion by Generative Artificial Intelligence
Authors: Ali Kashefi
Date: 2024-05-24 00:00:00
Tasks: Text Generation, Video Generation

In this technical report, we extensively investigate the accuracy of outputs from well-known generative artificial intelligence (AI) applications in response to prompts describing common fluid motion phenomena familiar to the fluid mechanics community. We examine a range of applications, including Midjourney, Dall-E, Runway ML, Microsoft Designer, Gemini, Meta AI, and Leonardo AI, introduced by prominent companies such as Google, OpenAI, Meta, and Microsoft. Our text prompts for generating images or videos include examples such as "Von Karman vortex street", "flow past an airfoil", "Kelvin-Helmholtz instability", "shock waves on a sharp-nosed supersonic body", etc. We compare the images generated by these applications with real images from laboratory experiments and numerical software. Our findings indicate that these generative AI models are not adequately trained in fluid dynamics imagery, leading to potentially misleading outputs. Beyond text-to-image/video generation, we further explore the transition from image/video to text generation using these AI tools, aiming to investigate the accuracy of their descriptions of fluid motion phenomena. This report serves as a cautionary note for educators in academic institutions, highlighting the potential for these tools to mislead students. It also aims to inform researchers at these renowned companies, encouraging them to address this issue. We conjecture that a primary reason for this shortcoming is the limited access to copyright-protected fluid motion images from scientific journals.
Fine-Grained Dynamic Framework for Bias-Variance Joint Optimization on Data Missing Not at Random
Authors: Mingming Ha, Xuewen Tao, Wenfang Lin, Qionxu Ma, Wujiang Xu, Linxun Chen
Date: 2024-05-24 00:00:00
Tasks: Generalization Bounds, Missing Values, Recommendation Systems

In most practical applications such as recommendation systems, display advertising, and so forth, the collected data often contains missing values and those missing values are generally missing-not-at-random, which deteriorates the prediction performance of models. Some existing estimators and regularizers attempt to achieve unbiased estimation to improve the predictive performance. However, variances and generalization bound of these methods are generally unbounded when the propensity scores tend to zero, compromising their stability and robustness. In this paper, we first theoretically reveal that limitations of regularization techniques. Besides, we further illustrate that, for more general estimators, unbiasedness will inevitably lead to unbounded variance. These general laws inspire us that the estimator designs is not merely about eliminating bias, reducing variance, or simply achieve a bias-variance trade-off. Instead, it involves a quantitative joint optimization of bias and variance. Then, we develop a systematic fine-grained dynamic learning framework to jointly optimize bias and variance, which adaptively selects an appropriate estimator for each user-item pair according to the predefined objective function. With this operation, the generalization bounds and variances of models are reduced and bounded with theoretical guarantees. Extensive experiments are conducted to verify the theoretical results and the effectiveness of the proposed dynamic learning framework.
Reshuffling Resampling Splits Can Improve Generalization of Hyperparameter Optimization
Authors: Thomas Nagler, Lennart Schneider, Bernd Bischl, Matthias Feurer
Date: 2024-05-24 00:00:00
Tasks: Hyperparameter Optimization

Hyperparameter optimization is crucial for obtaining peak performance of machine learning models. The standard protocol evaluates various hyperparameter configurations using a resampling estimate of the generalization error to guide optimization and select a final hyperparameter configuration. Without much evidence, paired resampling splits, i.e., either a fixed train-validation split or a fixed cross-validation scheme, are often recommended. We show that, surprisingly, reshuffling the splits for every configuration often improves the final model's generalization performance on unseen data. Our theoretical analysis explains how reshuffling affects the asymptotic behavior of the validation loss surface and provides a bound on the expected regret in the limiting regime. This bound connects the potential benefits of reshuffling to the signal and noise characteristics of the underlying optimization problem. We confirm our theoretical results in a controlled simulation study and demonstrate the practical usefulness of reshuffling in a large-scale, realistic hyperparameter optimization experiment. While reshuffling leads to test performances that are competitive with using fixed splits, it drastically improves results for a single train-validation holdout protocol and can often make holdout become competitive with standard CV while being computationally cheaper.
Tensor Frames -- How To Make Any Message Passing Network Equivariant
Authors: Peter Lippmann, Gerrit Gerhartz, Roman Remme, Fred A. Hamprecht
Date: 2024-05-24 00:00:00

In many applications of geometric deep learning, the choice of global coordinate frame is arbitrary, and predictions should be independent of the reference frame. In other words, the network should be equivariant with respect to rotations and reflections of the input, i.e., the transformations of O(d). We present a novel framework for building equivariant message passing architectures and modifying existing non-equivariant architectures to be equivariant. Our approach is based on local coordinate frames, between which geometric information is communicated consistently by including tensorial objects in the messages. Our framework can be applied to message passing on geometric data in arbitrary dimensional Euclidean space. While many other approaches for equivariant message passing require specialized building blocks, such as non-standard normalization layers or non-linearities, our approach can be adapted straightforwardly to any existing architecture without such modifications. We explicitly demonstrate the benefit of O(3)-equivariance for a popular point cloud architecture and produce state-of-the-art results on normal vector regression on point clouds.
Efficient Recurrent Off-Policy RL Requires a Context-Encoder-Specific Learning Rate
Authors: Fan-Ming Luo, Zuolin Tu, Zefang Huang, Yang Yu
Date: 2024-05-24 00:00:00
Tasks: Decision Making, Reinforcement Learning (RL)

Real-world decision-making tasks are usually partially observable Markov decision processes (POMDPs), where the state is not fully observable. Recent progress has demonstrated that recurrent reinforcement learning (RL), which consists of a context encoder based on recurrent neural networks (RNNs) for unobservable state prediction and a multilayer perceptron (MLP) policy for decision making, can mitigate partial observability and serve as a robust baseline for POMDP tasks. However, previous recurrent RL methods face training stability issues due to the gradient instability of RNNs. In this paper, we propose Recurrent Off-policy RL with Context-Encoder-Specific Learning Rate (RESeL) to tackle this issue. Specifically, RESeL uses a lower learning rate for context encoder than other MLP layers to ensure the stability of the former while maintaining the training efficiency of the latter. We integrate this technique into existing off-policy RL methods, resulting in the RESeL algorithm. We evaluated RESeL in 18 POMDP tasks, including classic, meta-RL, and credit assignment scenarios, as well as five MDP locomotion tasks. The experiments demonstrate significant improvements in training stability with RESeL. Comparative results show that RESeL achieves notable performance improvements over previous recurrent RL baselines in POMDP tasks, and is competitive with or even surpasses state-of-the-art methods in MDP tasks. Further ablation studies highlight the necessity of applying a distinct learning rate for the context encoder.
Randomized Midpoint Method for Log-Concave Sampling under Constraints
Authors: Yifeng Yu, Lu Yu
Date: 2024-05-24 00:00:00

In this paper, we study the problem of sampling from log-concave distributions supported on convex, compact sets, with a particular focus on the randomized midpoint discretization of both vanilla and kinetic Langevin diffusions in this constrained setting. We propose a unified proximal framework for handling constraints via a broad class of projection operators, including Euclidean, Bregman, and Gauge projections. Within this framework, we establish non-asymptotic bounds in both $\mathcal{W}_1$ and $\mathcal{W}_2$ distances, providing precise complexity guarantees and performance comparisons. In addition, our analysis leads to sharper convergence guarantees for both vanilla and kinetic Langevin Monte Carlo under constraints, improving upon existing theoretical results.
Fast training and sampling of Restricted Boltzmann Machines
Authors: Nicolas Béreux, Aurélien Decelle, Cyril Furtlehner, Lorenzo Rosset, Beatriz Seoane
Date: 2024-05-24 00:00:00

Restricted Boltzmann Machines (RBMs) are effective tools for modeling complex systems and deriving insights from data. However, training these models with highly structured data presents significant challenges due to the slow mixing characteristics of Markov Chain Monte Carlo processes. In this study, we build upon recent theoretical advancements in RBM training, to significantly reduce the computational cost of training (in very clustered datasets), evaluating and sampling in RBMs in general. The learning process is analogous to thermodynamic continuous phase transitions observed in ferromagnetic models, where new modes in the probability measure emerge in a continuous manner. Such continuous transitions are associated with the critical slowdown effect, which adversely affects the accuracy of gradient estimates, particularly during the initial stages of training with clustered data. To mitigate this issue, we propose a pre-training phase that encodes the principal components into a low-rank RBM through a convex optimization process. This approach enables efficient static Monte Carlo sampling and accurate computation of the partition function. We exploit the continuous and smooth nature of the parameter annealing trajectory to achieve reliable and computationally efficient log-likelihood estimations, enabling online assessment during the training, and propose a novel sampling strategy named parallel trajectory tempering (PTT) which outperforms previously optimized MCMC methods. Our results show that this training strategy enables RBMs to effectively address highly structured datasets that conventional methods struggle with. We also provide evidence that our log-likelihood estimation is more accurate than traditional, more computationally intensive approaches in controlled scenarios. The PTT algorithm significantly accelerates MCMC processes compared to existing and conventional methods.
Pipeline Parallelism with Controllable Memory
Authors: Penghui Qi, Xinyi Wan, Nyamdavaa Amar, Min Lin
Date: 2024-05-24 00:00:00

Pipeline parallelism has been widely explored, but most existing schedules lack a systematic methodology. In this paper, we propose a framework to decompose pipeline schedules as repeating a building block, and show that the lifespan of the building block decides the peak activation memory of the pipeline schedule. Guided by the observations, we find that almost all existing pipeline schedules, to the best of our knowledge, are memory inefficient. To address this, we introduce a family of memory efficient building blocks with controllable activation memory, which can reduce the peak activation memory to 1/2 of 1F1B without sacrificing efficiency, and even to 1/3 with comparable throughput. We can also achieve almost zero pipeline bubbles while maintaining the same activation memory as 1F1B. Our evaluations demonstrate that in pure pipeline parallelism settings, our methods outperform 1F1B by from 7% to 55% in terms of throughput. When employing a grid search over hybrid parallelism hyperparameters in practical scenarios, our methods demonstrate a 16% throughput improvement over the 1F1B baseline for large language models. The implementation is open-sourced at https://github.com/sail-sg/zero-bubble-pipeline-parallelism.
Coordinated Multi-Neighborhood Learning on a Directed Acyclic Graph
Authors: Stephen Smith, Qing Zhou
Date: 2024-05-24 00:00:00
Tasks: Causal Discovery

Learning the structure of causal directed acyclic graphs (DAGs) is useful in many areas of machine learning and artificial intelligence, with wide applications. However, in the high-dimensional setting, it is challenging to obtain good empirical and theoretical results without strong and often restrictive assumptions. Additionally, it is questionable whether all of the variables purported to be included in the network are observable. It is of interest then to restrict consideration to a subset of the variables for relevant and reliable inferences. In fact, researchers in various disciplines can usually select a set of target nodes in the network for causal discovery. This paper develops a new constraint-based method for estimating the local structure around multiple user-specified target nodes, enabling coordination in structure learning between neighborhoods. Our method facilitates causal discovery without learning the entire DAG structure. We establish consistency results for our algorithm with respect to the local neighborhood structure of the target nodes in the true graph. Experimental results on synthetic and real-world data show that our algorithm is more accurate in learning the neighborhood structures with much less computational cost than standard methods that estimate the entire DAG. An R package implementing our methods may be accessed at https://github.com/stephenvsmith/CML.