pwc-archive/papers-with-abstracts huggingface dataset:
Causal Modeling with Stationary Diffusions
Authors: Lars Lorch, Andreas Krause, Bernhard Schölkopf
Date: 2023-10-26 00:00:00
Tasks: Causal Inference

We develop a novel approach towards causal inference. Rather than structural equations over a causal graph, we learn stochastic differential equations (SDEs) whose stationary densities model a system's behavior under interventions. These stationary diffusion models do not require the formalism of causal graphs, let alone the common assumption of acyclicity. We show that in several cases, they generalize to unseen interventions on their variables, often better than classical approaches. Our inference method is based on a new theoretical result that expresses a stationarity condition on the diffusion's generator in a reproducing kernel Hilbert space. The resulting kernel deviation from stationarity (KDS) is an objective function of independent interest.
PSP: Pre-Training and Structure Prompt Tuning for Graph Neural Networks
Authors: Qingqing Ge, Zeyuan Zhao, Yiding Liu, Anfeng Cheng, Xiang Li, Shuaiqiang Wang, Dawei Yin
Date: 2023-10-26 00:00:00
Tasks: Contrastive Learning, Graph Classification, Node Classification

Graph Neural Networks (GNNs) are powerful in learning semantics of graph data. Recently, a new paradigm "pre-train and prompt" has shown promising results in adapting GNNs to various tasks with less supervised data. The success of such paradigm can be attributed to the more consistent objectives of pre-training and task-oriented prompt tuning, where the pre-trained knowledge can be effectively transferred to downstream tasks. Most existing methods are based on the class prototype vector framework. However, in the few-shot scenarios, given few labeled data, class prototype vectors are difficult to be accurately constructed or learned. Meanwhile, the structure information of graph is usually exploited during pre-training for learning node representations, while neglected in the prompt tuning stage for learning more accurate prototype vectors. In addition, they generally ignore the impact of heterophilous neighborhoods on node representation and are not suitable for heterophilous graphs. To bridge these gaps, we propose a novel pre-training and structure prompt tuning framework for GNNs, namely PSP, which consistently exploits structure information in both pre-training and prompt tuning stages. In particular, PSP 1) employs a dual-view contrastive learning to align the latent semantic spaces of node attributes and graph structure, and 2) incorporates structure information in prompted graph to construct more accurate prototype vectors and elicit more pre-trained knowledge in prompt tuning. We conduct extensive experiments on node classification and graph classification tasks to evaluate the effectiveness of PSP. We show that PSP can lead to superior performance in few-shot scenarios on both homophilous and heterophilous graphs. The implemented code is available at https://github.com/gqq1210/PSP.
A Challenge in Reweighting Data with Bilevel Optimization
Authors: Anastasia Ivanova, Pierre Ablin
Date: 2023-10-26 00:00:00
Tasks: Bilevel Optimization

In many scenarios, one uses a large training set to train a model with the goal of performing well on a smaller testing set with a different distribution. Learning a weight for each data point of the training set is an appealing solution, as it ideally allows one to automatically learn the importance of each training point for generalization on the testing set. This task is usually formalized as a bilevel optimization problem. Classical bilevel solvers are based on a warm-start strategy where both the parameters of the models and the data weights are learned at the same time. We show that this joint dynamic may lead to sub-optimal solutions, for which the final data weights are very sparse. This finding illustrates the difficulty of data reweighting and offers a clue as to why this method is rarely used in practice.
Multitask Online Learning: Listen to the Neighborhood Buzz
Authors: Juliette Achddou, Nicolò Cesa-Bianchi, Pierre Laforgue
Date: 2023-10-26 00:00:00

We study multitask online learning in a setting where agents can only exchange information with their neighbors on an arbitrary communication network. We introduce $\texttt{MT-CO}_2\texttt{OL}$, a decentralized algorithm for this setting whose regret depends on the interplay between the task similarities and the network structure. Our analysis shows that the regret of $\texttt{MT-CO}_2\texttt{OL}$ is never worse (up to constants) than the bound obtained when agents do not share information. On the other hand, our bounds significantly improve when neighboring agents operate on similar tasks. In addition, we prove that our algorithm can be made differentially private with a negligible impact on the regret. Finally, we provide experimental support for our theory.
On the recognition of the game type based on physiological signals and eye tracking
Authors: Łukasz Czekaj, Łukasz Radzinski, Mateusz Kolimaga, Jakub Domaszewicz, Robert Kitłowski, Mariusz Szwoch, Włodzisław Duch
Date: 2023-10-26 00:00:00
Tasks: Activity Recognition, Human Activity Recognition, Person Recognition

Automated interpretation of signals yields many impressive applications from the area of affective computing and human activity recognition (HAR). In this paper we ask the question about possibility of cognitive activity recognition on the base of particular set of signals. We use recognition of the game played by the participant as a playground for exploration of the problem. We build classifier of three different games (Space Invaders, Tetris, Tower Defence) and inter-game pause. We validate classifier in the player-independent and player-dependent scenario. We discuss the improvement in the player-dependent scenario in the context of biometric person recognition. On the base of the results obtained in game classification, we consider potential applications in smart surveillance and quantified self.
Towards Unifying Diffusion Models for Probabilistic Spatio-Temporal Graph Learning
Authors: Junfeng Hu, Xu Liu, Zhencheng Fan, Yuxuan Liang, Roger Zimmermann
Date: 2023-10-26 00:00:00
Tasks: Denoising, Graph Learning

Spatio-temporal graph learning is a fundamental problem in modern urban systems. Existing approaches tackle different tasks independently, tailoring their models to unique task characteristics. These methods, however, fall short of modeling intrinsic uncertainties in the spatio-temporal data. Meanwhile, their specialized designs misalign with the current research efforts toward unifying spatio-temporal graph learning solutions. In this paper, we propose to model these tasks in a unified probabilistic perspective, viewing them as predictions based on conditional information with shared dependencies. Based on this proposal, we introduce Unified Spatio-Temporal Diffusion Models (USTD) to address the tasks uniformly under the uncertainty-aware diffusion framework. USTD is holistically designed, comprising a shared spatio-temporal encoder and attention-based denoising decoders that are task-specific. The encoder, optimized by pre-training strategies, effectively captures conditional spatio-temporal patterns. The decoders, utilizing attention mechanisms, generate predictions by leveraging learned patterns. Opting for forecasting and kriging, the decoders are designed as Spatial Gated Attention (SGA) and Temporal Gated Attention (TGA) for each task, with different emphases on the spatial and temporal dimensions. Combining the advantages of deterministic encoders and probabilistic decoders, USTD achieves state-of-the-art performances compared to both deterministic and probabilistic baselines, while also providing valuable uncertainty estimates.
Exploring the Trie of Rules: a fast data structure for the representation of association rules
Authors: Mikhail Kudriavtsev, Marija Bezbradica, Andrew McCarren
Date: 2023-10-26 00:00:00

Association rule mining techniques can generate a large volume of sequential data when implemented on transactional databases. Extracting insights from a large set of association rules has been found to be a challenging process. When examining a ruleset, the fundamental question is how to summarise and represent meaningful mined knowledge efficiently. Many algorithms and strategies have been developed to address issue of knowledge extraction; however, the effectiveness of this process can be limited by the data structures. A better data structure can sufficiently affect the speed of the knowledge extraction process. This paper proposes a novel data structure, called the Trie of rules, for storing a ruleset that is generated by association rule mining. The resulting data structure is a prefix-tree graph structure made of pre-mined rules. This graph stores the rules as paths within the prefix-tree in a way that similar rules overlay each other. Each node in the tree represents a rule where a consequent is this node, and an antecedent is a path from this node to the root of the tree. The evaluation showed that the proposed representation technique is promising. It compresses a ruleset with almost no data loss and benefits in terms of time for basic operations such as searching for a specific rule and sorting, which is the base for many knowledge discovery methods. Moreover, our method demonstrated a significant improvement in traversing time, achieving an 8-fold increase compared to traditional data structures.
De-novo Chemical Reaction Generation by Means of Temporal Convolutional Neural Networks
Authors: Andrei Buin, Hung Yi Chiang, S. Andrew Gadsden, Faraz A. Alderson
Date: 2023-10-26 00:00:00
Tasks: Language Modelling, Transfer Learning

We present here a combination of two networks, Recurrent Neural Networks (RNN) and Temporarily Convolutional Neural Networks (TCN) in de novo reaction generation using the novel Reaction Smiles-like representation of reactions (CGRSmiles) with atom mapping directly incorporated. Recurrent Neural Networks are known for their autoregressive properties and are frequently used in language modelling with direct application to SMILES generation. The relatively novel TCNs possess similar properties with wide receptive field while obeying the causality required for natural language processing (NLP). The combination of both latent representations expressed through TCN and RNN results in an overall better performance compared to RNN alone. Additionally, it is shown that different fine-tuning protocols have a profound impact on generative scope of the model when applied on a dataset of interest via transfer learning.
A multi-artifact EEG denoising by frequency-based deep learning
Authors: Matteo Gabardi, Aurora Saibene, Francesca Gasparini, Daniele Rizzo, Fabio Antonio Stella
Date: 2023-10-26 00:00:00
Tasks: Deep Learning, Denoising, EEG, EEG Denoising

Electroencephalographic (EEG) signals are fundamental to neuroscience research and clinical applications such as brain-computer interfaces and neurological disorder diagnosis. These signals are typically a combination of neurological activity and noise, originating from various sources, including physiological artifacts like ocular and muscular movements. Under this setting, we tackle the challenge of distinguishing neurological activity from noise-related sources. We develop a novel EEG denoising model that operates in the frequency domain, leveraging prior knowledge about noise spectral features to adaptively compute optimal convolutional filters for noise separation. The model is trained to learn an empirical relationship connecting the spectral characteristics of noise and noisy signal to a non-linear transformation which allows signal denoising. Performance evaluation on the EEGdenoiseNet dataset shows that the proposed model achieves optimal results according to both temporal and spectral metrics. The model is found to remove physiological artifacts from input EEG data, thus achieving effective EEG denoising. Indeed, the model performance either matches or outperforms that achieved by benchmark models, proving to effectively remove both muscle and ocular artifacts without the need to perform any training on the particular type of artifact.
On Forecast Stability
Authors: Rakshitha Godahewa, Christoph Bergmeir, Zeynep Erkin Baz, Chengjun Zhu, Zhangdi Song, Salvador García, Dario Benavides
Date: 2023-10-26 00:00:00

Forecasts are typically not produced in a vacuum but in a business context, where forecasts are generated on a regular basis and interact with each other. For decisions, it may be important that forecasts do not change arbitrarily, and are stable in some sense. However, this area has received only limited attention in the forecasting literature. In this paper, we explore two types of forecast stability that we call vertical stability and horizontal stability. The existing works in the literature are only applicable to certain base models and extending these frameworks to be compatible with any base model is not straightforward. Furthermore, these frameworks can only stabilise the forecasts vertically. To fill this gap, we propose a simple linear-interpolation-based approach that is applicable to stabilise the forecasts provided by any base model vertically and horizontally. The approach can produce both accurate and stable forecasts. Using N-BEATS, Pooled Regression and LightGBM as the base models, in our evaluation on four publicly available datasets, the proposed framework is able to achieve significantly higher stability and/or accuracy compared to a set of benchmarks including a state-of-the-art forecast stabilisation method across three error metrics and six stability metrics.
Demonstration-Regularized RL
Authors: Daniil Tiapkin, Denis Belomestny, Daniele Calandriello, Eric Moulines, Alexey Naumov, Pierre Perrault, Michal Valko, Pierre Menard
Date: 2023-10-26 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Incorporating expert demonstrations has empirically helped to improve the sample efficiency of reinforcement learning (RL). This paper quantifies theoretically to what extent this extra information reduces RL's sample complexity. In particular, we study the demonstration-regularized reinforcement learning that leverages the expert demonstrations by KL-regularization for a policy learned by behavior cloning. Our findings reveal that using $N^{\mathrm{E}}$ expert demonstrations enables the identification of an optimal policy at a sample complexity of order $\widetilde{O}(\mathrm{Poly}(S,A,H)/(\varepsilon^2 N^{\mathrm{E}}))$ in finite and $\widetilde{O}(\mathrm{Poly}(d,H)/(\varepsilon^2 N^{\mathrm{E}}))$ in linear Markov decision processes, where $\varepsilon$ is the target precision, $H$ the horizon, $A$ the number of action, $S$ the number of states in the finite case and $d$ the dimension of the feature space in the linear case. As a by-product, we provide tight convergence guarantees for the behaviour cloning procedure under general assumptions on the policy classes. Additionally, we establish that demonstration-regularized methods are provably efficient for reinforcement learning from human feedback (RLHF). In this respect, we provide theoretical evidence showing the benefits of KL-regularization for RLHF in tabular and linear MDPs. Interestingly, we avoid pessimism injection by employing computationally feasible regularization to handle reward estimation uncertainty, thus setting our approach apart from the prior works.
Looping in the Human Collaborative and Explainable Bayesian Optimization
Authors: Masaki Adachi, Brady Planden, David A. Howey, Michael A. Osborne, Sebastian Orbell, Natalia Ares, Krikamol Muandet, Siu Lun Chau
Date: 2023-10-26 00:00:00
Tasks: Bayesian Optimization

Like many optimizers, Bayesian optimization often falls short of gaining user trust due to opacity. While attempts have been made to develop human-centric optimizers, they typically assume user knowledge is well-specified and error-free, employing users mainly as supervisors of the optimization process. We relax these assumptions and propose a more balanced human-AI partnership with our Collaborative and Explainable Bayesian Optimization (CoExBO) framework. Instead of explicitly requiring a user to provide a knowledge model, CoExBO employs preference learning to seamlessly integrate human insights into the optimization, resulting in algorithmic suggestions that resonate with user preference. CoExBO explains its candidate selection every iteration to foster trust, empowering users with a clearer grasp of the optimization. Furthermore, CoExBO offers a no-harm guarantee, allowing users to make mistakes; even with extreme adversarial interventions, the algorithm converges asymptotically to a vanilla Bayesian optimization. We validate CoExBO's efficacy through human-AI teaming experiments in lithium-ion battery design, highlighting substantial improvements over conventional methods. Code is available https://github.com/ma921/CoExBO.
Variance of ML-based software fault predictors: are we really improving fault prediction?
Authors: Xhulja Shahini, Domenic Bubel, Andreas Metzger
Date: 2023-10-26 00:00:00
Tasks: Prediction

Software quality assurance activities become increasingly difficult as software systems become more and more complex and continuously grow in size. Moreover, testing becomes even more expensive when dealing with large-scale systems. Thus, to effectively allocate quality assurance resources, researchers have proposed fault prediction (FP) which utilizes machine learning (ML) to predict fault-prone code areas. However, ML algorithms typically make use of stochastic elements to increase the prediction models' generalizability and efficiency of the training process. These stochastic elements, also known as nondeterminism-introducing (NI) factors, lead to variance in the training process and as a result, lead to variance in prediction accuracy and training time. This variance poses a challenge for reproducibility in research. More importantly, while fault prediction models may have shown good performance in the lab (e.g., often-times involving multiple runs and averaging outcomes), high variance of results can pose the risk that these models show low performance when applied in practice. In this work, we experimentally analyze the variance of a state-of-the-art fault prediction approach. Our experimental results indicate that NI factors can indeed cause considerable variance in the fault prediction models' accuracy. We observed a maximum variance of 10.10% in terms of the per-class accuracy metric. We thus, also discuss how to deal with such variance.
fairret: a Framework for Differentiable Fairness Regularization Terms
Authors: Maarten Buyl, MaryBeth Defrance, Tijl De Bie
Date: 2023-10-26 00:00:00
Tasks: Fairness

Current fairness toolkits in machine learning only admit a limited range of fairness definitions and have seen little integration with automatic differentiation libraries, despite the central role these libraries play in modern machine learning pipelines. We introduce a framework of fairness regularization terms (fairrets) which quantify bias as modular, flexible objectives that are easily integrated in automatic differentiation pipelines. By employing a general definition of fairness in terms of linear-fractional statistics, a wide class of fairrets can be computed efficiently. Experiments show the behavior of their gradients and their utility in enforcing fairness with minimal loss of predictive power compared to baselines. Our contribution includes a PyTorch implementation of the fairret framework.
Grokking Beyond Neural Networks: An Empirical Exploration with Model Complexity
Authors: Jack Miller, Charles O'Neill, Thang Bui
Date: 2023-10-26 00:00:00
Tasks: regression

In some settings neural networks exhibit a phenomenon known as \textit{grokking}, where they achieve perfect or near-perfect accuracy on the validation set long after the same performance has been achieved on the training set. In this paper, we discover that grokking is not limited to neural networks but occurs in other settings such as Gaussian process (GP) classification, GP regression, linear regression and Bayesian neural networks. We also uncover a mechanism by which to induce grokking on algorithmic datasets via the addition of dimensions containing spurious information. The presence of the phenomenon in non-neural architectures shows that grokking is not restricted to settings considered in current theoretical and empirical studies. Instead, grokking may be possible in any model where solution search is guided by complexity and error.
Codebook Features: Sparse and Discrete Interpretability for Neural Networks
Authors: Alex Tamkin, Mohammad Taufeeque, Noah D. Goodman
Date: 2023-10-26 00:00:00
Tasks: Quantization

Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. This sparse, discrete bottleneck also provides an intuitive way of controlling neural network behavior: first, find codes that activate when the desired behavior is present, then activate those same codes during generation to elicit that behavior. We validate our approach by training codebook Transformers on several different datasets. First, we explore a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. Second, we train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics by activating the appropriate codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at https://github.com/taufeeque9/codebook-features.
miditok: A Python package for MIDI file tokenization
Authors: Nathan Fradet, Jean-Pierre Briot, Fabien Chhel, Amal El Fallah Seghrouchni, Nicolas Gutowski
Date: 2023-10-26 00:00:00
Tasks: Music Generation, Music Information Retrieval

Recent progress in natural language processing has been adapted to the symbolic music modality. Language models, such as Transformers, have been used with symbolic music for a variety of tasks among which music generation, modeling or transcription, with state-of-the-art performances. These models are beginning to be used in production products. To encode and decode music for the backbone model, they need to rely on tokenizers, whose role is to serialize music into sequences of distinct elements called tokens. MidiTok is an open-source library allowing to tokenize symbolic music with great flexibility and extended features. It features the most popular music tokenizations, under a unified API. It is made to be easily used and extensible for everyone.