pwc-archive/papers-with-abstracts huggingface dataset:
TGTOD: A Global Temporal Graph Transformer for Outlier Detection at Scale
Authors: Kay Liu, Jiahao Ding, MohamadAli Torkamani, Philip S. Yu
Date: 2024-12-01 00:00:00
Tasks: Link Prediction, Outlier Detection

While Transformers have revolutionized machine learning on various data, existing Transformers for temporal graphs face limitations in (1) restricted receptive fields, (2) overhead of subgraph extraction, and (3) suboptimal generalization capability beyond link prediction. In this paper, we rethink temporal graph Transformers and propose TGTOD, a novel end-to-end Temporal Graph Transformer for Outlier Detection. TGTOD employs global attention to model both structural and temporal dependencies within temporal graphs. To tackle scalability, our approach divides large temporal graphs into spatiotemporal patches, which are then processed by a hierarchical Transformer architecture comprising Patch Transformer, Cluster Transformer, and Temporal Transformer. We evaluate TGTOD on three public datasets under two settings, comparing with a wide range of baselines. Our experimental results demonstrate the effectiveness of TGTOD, achieving AP improvement of 61% on Elliptic. Furthermore, our efficiency evaluation shows that TGTOD reduces training time by 44x compared to existing Transformers for temporal graphs. To foster reproducibility, we make our implementation publicly available at https://github.com/kayzliu/tgtod.
Incentivizing Truthful Collaboration in Heterogeneous Federated Learning
Authors: Dimitar Chakarov, Nikita Tsoy, Kristian Minchev, Nikola Konstantinov
Date: 2024-12-01 00:00:00
Tasks: Federated Learning

Federated learning (FL) is a distributed collaborative learning method, where multiple clients learn together by sharing gradient updates instead of raw data. However, it is well-known that FL is vulnerable to manipulated updates from clients. In this work we study the impact of data heterogeneity on clients' incentives to manipulate their updates. First, we present heterogeneous collaborative learning scenarios where a client can modify their updates to be better off, and show that these manipulations can lead to diminishing model performance. To prevent such modifications, we formulate a game in which clients may misreport their gradient updates in order to "steer" the server model to their advantage. We develop a payment rule that provably disincentivizes sending modified updates under the FedSGD protocol. We derive explicit bounds on the clients' payments and the convergence rate of the global model, which allows us to study the trade-off between heterogeneity, payments and convergence. Finally, we provide an experimental evaluation of the effectiveness of our payment rule in the FedSGD, median-based aggregation FedSGD and FedAvg protocols on three tasks in computer vision and natural language processing. In all cases we find that our scheme successfully disincentivizes modifications.
Hierarchical Prompt Decision Transformer: Improving Few-Shot Policy Generalization with Global and Adaptive Guidance
Authors: Zhe Wang, Haozhu Wang, Yanjun Qi
Date: 2024-12-01 00:00:00
Tasks: MuJoCo

Decision transformers recast reinforcement learning as a conditional sequence generation problem, offering a simple but effective alternative to traditional value or policy-based methods. A recent key development in this area is the integration of prompting in decision transformers to facilitate few-shot policy generalization. However, current methods mainly use static prompt segments to guide rollouts, limiting their ability to provide context-specific guidance. Addressing this, we introduce a hierarchical prompting approach enabled by retrieval augmentation. Our method learns two layers of soft tokens as guiding prompts: (1) global tokens encapsulating task-level information about trajectories, and (2) adaptive tokens that deliver focused, timestep-specific instructions. The adaptive tokens are dynamically retrieved from a curated set of demonstration segments, ensuring context-aware guidance. Experiments across seven benchmark tasks in the MuJoCo and MetaWorld environments demonstrate the proposed approach consistently outperforms all baseline methods, suggesting that hierarchical prompting for decision transformers is an effective strategy to enable few-shot policy generalization.
Enhancing Brain Age Estimation with a Multimodal 3D CNN Approach Combining Structural MRI and AI-Synthesized Cerebral Blood Volume Data
Authors: Jordan Jomsky, Zongyu Li, Yiren Zhang, Tal Nuriel, Jia Guo
Date: 2024-12-01 00:00:00
Tasks: Age Estimation

The increasing global aging population necessitates improved methods to assess brain aging and its related neurodegenerative changes. Brain Age Gap Estimation (BrainAGE) offers a neuroimaging biomarker for understanding these changes by predicting brain age from MRI scans. Current approaches primarily use T1-weighted magnetic resonance imaging (T1w MRI) data, capturing only structural brain information. To address this limitation, AI-generated Cerebral Blood Volume (AICBV) data, synthesized from non-contrast MRI scans, offers functional insights by revealing subtle blood-tissue contrasts otherwise undetectable in standard imaging. We integrated AICBV with T1w MRI to predict brain age, combining both structural and functional metrics. We developed a deep learning model using a VGG-based architecture for both modalities and combined their predictions using linear regression. Our model achieved a mean absolute error (MAE) of 3.95 years and an $R^2$ of 0.943 on the test set ($n = 288$), outperforming existing models trained on similar data. We have further created gradient-based class activation maps (Grad-CAM) to visualize the regions of the brain that most influenced the model's predictions, providing interpretable insights into the structural and functional contributors to brain aging.
Optimal Algorithms for Augmented Testing of Discrete Distributions
Authors: Maryam Aliakbarpour, Piotr Indyk, Ronitt Rubinfeld, Sandeep Silwal
Date: 2024-12-01 00:00:00
Tasks: Two-sample testing

We consider the problem of hypothesis testing for discrete distributions. In the standard model, where we have sample access to an underlying distribution $p$, extensive research has established optimal bounds for uniformity testing, identity testing (goodness of fit), and closeness testing (equivalence or two-sample testing). We explore these problems in a setting where a predicted data distribution, possibly derived from historical data or predictive machine learning models, is available. We demonstrate that such a predictor can indeed reduce the number of samples required for all three property testing tasks. The reduction in sample complexity depends directly on the predictor's quality, measured by its total variation distance from $p$. A key advantage of our algorithms is their adaptability to the precision of the prediction. Specifically, our algorithms can self-adjust their sample complexity based on the accuracy of the available prediction, operating without any prior knowledge of the estimation's accuracy (i.e. they are consistent). Additionally, we never use more samples than the standard approaches require, even if the predictions provide no meaningful information (i.e. they are also robust). We provide lower bounds to indicate that the improvements in sample complexity achieved by our algorithms are information-theoretically optimal. Furthermore, experimental results show that the performance of our algorithms on real data significantly exceeds our worst-case guarantees for sample complexity, demonstrating the practicality of our approach.
From Priest to Doctor: Domain Adaptaion for Low-Resource Neural Machine Translation
Authors: Ali Marashian, Enora Rice, Luke Gessler, Alexis Palmer, Katharina von der Wense
Date: 2024-12-01 00:00:00
Tasks: Domain Adaptation, Low Resource Neural Machine Translation, Low-Resource Neural Machine Translation, Low Resource NMT, Machine Translation, NMT

Many of the world's languages have insufficient data to train high-performing general neural machine translation (NMT) models, let alone domain-specific models, and often the only available parallel data are small amounts of religious texts. Hence, domain adaptation (DA) is a crucial issue faced by contemporary NMT and has, so far, been underexplored for low-resource languages. In this paper, we evaluate a set of methods from both low-resource NMT and DA in a realistic setting, in which we aim to translate between a high-resource and a low-resource language with access to only: a) parallel Bible data, b) a bilingual dictionary, and c) a monolingual target-domain corpus in the high-resource language. Our results show that the effectiveness of the tested methods varies, with the simplest one, DALI, being most effective. We follow up with a small human evaluation of DALI, which shows that there is still a need for more careful investigation of how to accomplish DA for low-resource NMT.
AI Meets Antimatter: Unveiling Antihydrogen Annihilations
Authors: Ashley Ferreira, Mahip Singh, Andrea Capra, Ina Carli, Daniel Duque Quiceno, Wojciech T. Fedorko, Makoto M. Fujiwara, Muyan Li, Lars Martin, Yukiya Saito, Gareth Smith, Anqi Xu
Date: 2024-12-01 00:00:00
Tasks: Deep Learning, Position

The ALPHA-g experiment at CERN aims to perform the first-ever direct measurement of the effect of gravity on antimatter, determining its weight to within 1% precision. This measurement requires an accurate prediction of the vertical position of annihilations within the detector. In this work, we present a novel approach to annihilation position reconstruction using an ensemble of models based on the PointNet deep learning architecture. The newly developed model, PointNet Ensemble for Annihilation Reconstruction (PEAR) outperforms the standard approach to annihilation position reconstruction, providing more than twice the resolution while maintaining a similarly low bias. This work may also offer insights for similar efforts applying deep learning to experiments that require high resolution and low bias.
Construction of generalized samplets in Banach spaces
Authors: Peter Balazs, Michael Multerer
Date: 2024-12-01 00:00:00
Tasks: Data Compression

Recently, samplets have been introduced as localized discrete signed measures which are tailored to an underlying data set. Samplets exhibit vanishing moments, i.e., their measure integrals vanish for all polynomials up to a certain degree, which allows for feature detection and data compression. In the present article, we extend the different construction steps of samplets to functionals in Banach spaces more general than point evaluations. To obtain stable representations, we assume that these functionals form frames with square-summable coefficients or even Riesz bases with square-summable coefficients. In either case, the corresponding analysis operator is injective and we obtain samplet bases with the desired properties by means of constructing an isometry of the analysis operator's image. Making the assumption that the dual of the Banach space under consideration is imbedded into the space of compactly supported distributions, the multilevel hierarchy for the generalized samplet construction is obtained by spectral clustering of a similarity graph for the functionals' supports. Based on this multilevel hierarchy, generalized samplets exhibit vanishing moments with respect to a given set of primitives within the Banach space. We derive an abstract localization result for the generalized samplet coefficients with respect to the samplets' support sizes and the approximability of the Banach space elements by the chosen primitives. Finally, we present three examples showcasing the generalized samplet framework.
Calibration through the Lens of Interpretability
Authors: Alireza Torabian, Ruth Urner
Date: 2024-12-01 00:00:00

Calibration is a frequently invoked concept when useful label probability estimates are required on top of classification accuracy. A calibrated model is a function whose values correctly reflect underlying label probabilities. Calibration in itself however does not imply classification accuracy, nor human interpretable estimates, nor is it straightforward to verify calibration from finite data. There is a plethora of evaluation metrics (and loss functions) that each assess a specific aspect of a calibration model. In this work, we initiate an axiomatic study of the notion of calibration. We catalogue desirable properties of calibrated models as well as corresponding evaluation metrics and analyze their feasibility and correspondences. We complement this analysis with an empirical evaluation, comparing common calibration methods to employing a simple, interpretable decision tree.
Leveraging Intermediate Neural Collapse with Simplex ETFs for Efficient Deep Neural Networks
Authors: Emily Liu
Date: 2024-12-01 00:00:00

Neural collapse is a phenomenon observed during the terminal phase of neural network training, characterized by the convergence of network activations, class means, and linear classifier weights to a simplex equiangular tight frame (ETF), a configuration of vectors that maximizes mutual distance within a subspace. This phenomenon has been linked to improved interpretability, robustness, and generalization in neural networks. However, its potential to guide neural network training and regularization remains underexplored. Previous research has demonstrated that constraining the final layer of a neural network to a simplex ETF can reduce the number of trainable parameters without sacrificing model accuracy. Furthermore, deep fully connected networks exhibit neural collapse not only in the final layer but across all layers beyond a specific effective depth. Using these insights, we propose two novel training approaches: Adaptive-ETF, a generalized framework that enforces simplex ETF constraints on all layers beyond the effective depth, and ETF-Transformer, which applies simplex ETF constraints to the feedforward layers within transformer blocks. We show that these approaches achieve training and testing performance comparable to those of their baseline counterparts while significantly reducing the number of learnable parameters.
Lightweight Contenders: Navigating Semi-Supervised Text Mining through Peer Collaboration and Self Transcendence
Authors: Qianren Mao, Weifeng Jiang, Junnan Liu, Chenghua Lin, Qian Li, Xianqing Wen, JianXin Li, Jinhu Lu
Date: 2024-12-01 00:00:00
Tasks: text-classification, Text Classification

The semi-supervised learning (SSL) strategy in lightweight models requires reducing annotated samples and facilitating cost-effective inference. However, the constraint on model parameters, imposed by the scarcity of training labels, limits the SSL performance. In this paper, we introduce PS-NET, a novel framework tailored for semi-supervised text mining with lightweight models. PS-NET incorporates online distillation to train lightweight student models by imitating the Teacher model. It also integrates an ensemble of student peers that collaboratively instruct each other. Additionally, PS-NET implements a constant adversarial perturbation schema to further self-augmentation by progressive generalizing. Our PS-NET, equipped with a 2-layer distilled BERT, exhibits notable performance enhancements over SOTA lightweight SSL frameworks of FLiText and DisCo in SSL text classification with extremely rare labelled data.
Quantifying perturbation impacts for large language models
Authors: Paulius Rauba, Qiyao Wei, Mihaela van der Schaar
Date: 2024-12-01 00:00:00
Tasks: Semantic Similarity, Semantic Textual Similarity

We consider the problem of quantifying how an input perturbation impacts the outputs of large language models (LLMs), a fundamental task for model reliability and post-hoc interpretability. A key obstacle in this domain is disentangling the meaningful changes in model responses from the intrinsic stochasticity of LLM outputs. To overcome this, we introduce Distribution-Based Perturbation Analysis (DBPA), a framework that reformulates LLM perturbation analysis as a frequentist hypothesis testing problem. DBPA constructs empirical null and alternative output distributions within a low-dimensional semantic similarity space via Monte Carlo sampling. Comparisons of Monte Carlo estimates in the reduced dimensionality space enables tractable frequentist inference without relying on restrictive distributional assumptions. The framework is model-agnostic, supports the evaluation of arbitrary input perturbations on any black-box LLM, yields interpretable p-values, supports multiple perturbation testing via controlled error rates, and provides scalar effect sizes for any chosen similarity or distance metric. We demonstrate the effectiveness of DBPA in evaluating perturbation impacts, showing its versatility for perturbation analysis.
Combinatorial Rising Bandit
Authors: Seockbean Song, Youngsik Yoon, Siwei Wang, Wei Chen, Jungseul Ok
Date: 2024-12-01 00:00:00
Tasks: Deep Reinforcement Learning, Recommendation Systems

Combinatorial online learning is a fundamental task to decide the optimal combination of base arms in sequential interactions with systems providing uncertain rewards, which is applicable to diverse domains such as robotics, social advertising, network routing and recommendation systems. In real-world scenarios, we often observe rising rewards, where the selection of a base arm not only provides an instantaneous reward but also contributes to the enhancement of future rewards, {\it e.g.}, robots enhancing proficiency through practice and social influence strengthening in the history of successful recommendations. To address this, we introduce the problem of combinatorial rising bandit to minimize policy regret and propose a provably efficient algorithm, called Combinatorial Rising Upper Confidence Bound (CRUCB), of which regret upper bound is close to a regret lower bound. To the best of our knowledge, previous studies do not provide a sub-linear regret lower bound, making it impossible to assess the efficiency of their algorithms. However, we provide the sub-linear regret lower bound for combinatorial rising bandit and show that CRUCB is provably efficient by showing that the regret upper bound is close to the regret lower bound. In addition, we empirically demonstrate the effectiveness and superiority of CRUCB not only in synthetic environments but also in realistic applications of deep reinforcement learning.
Online Poisoning Attack Against Reinforcement Learning under Black-box Environments
Authors: Jianhui Li, Bokang Zhang, Junfeng Wu
Date: 2024-12-01 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

This paper proposes an online environment poisoning algorithm tailored for reinforcement learning agents operating in a black-box setting, where an adversary deliberately manipulates training data to lead the agent toward a mischievous policy. In contrast to prior studies that primarily investigate white-box settings, we focus on a scenario characterized by \textit{unknown} environment dynamics to the attacker and a \textit{flexible} reinforcement learning algorithm employed by the targeted agent. We first propose an attack scheme that is capable of poisoning the reward functions and state transitions. The poisoning task is formalized as a constrained optimization problem, following the framework of \cite{ma2019policy}. Given the transition probabilities are unknown to the attacker in a black-box environment, we apply a stochastic gradient descent algorithm, where the exact gradients are approximated using sample-based estimates. A penalty-based method along with a bilevel reformulation is then employed to transform the problem into an unconstrained counterpart and to circumvent the double-sampling issue. The algorithm's effectiveness is validated through a maze environment.
Proper Latent Decomposition
Authors: Daniel Kelshaw, Luca Magri
Date: 2024-12-01 00:00:00

In this paper, we introduce the proper latent decomposition (PLD) as a generalization of the proper orthogonal decomposition (POD) on manifolds. PLD is a nonlinear reduced-order modeling technique for compressing high-dimensional data into nonlinear coordinates. First, we compute a reduced set of intrinsic coordinates (latent space) to accurately describe a flow with fewer degrees of freedom than the numerical discretization. The latent space, which is geometrically a manifold, is inferred by an autoencoder. Second, we leverage tools from differential geometry to develop numerical methods for operating directly on the latent space; namely, a metric-constrained Eikonal solver for distance computations. With this proposed numerical framework, we propose an algorithm to perform PLD on the manifold. Third, we demonstrate results for a laminar flow case and the turbulent Kolmogorov flow. For the laminar flow case, we are able to identify a semi-analytical expression for the solution of Navier-Stokes; in the Kolmogorov flow case, we are able to identify a dominant mode that exhibits physical structures, which are compared with POD. This work opens opportunities for analyzing autoencoders and latent spaces, nonlinear reduced-order modeling and scientific insights into the structure of high-dimensional data.
Learning Mamba as a Continual Learner
Authors: Chongyang Zhao, Dong Gong
Date: 2024-12-01 00:00:00
Tasks: Continual Learning, Mamba, State Space Models

Continual learning (CL) aims to efficiently learn and accumulate knowledge from a data stream with different distributions. By formulating CL as a sequence prediction task, meta-continual learning (MCL) enables to meta-learn an efficient continual learner based on the recent advanced sequence models, e.g., Transformers. Although attention-free models (e.g., Linear Transformers) can ideally match CL's essential objective and efficiency requirements, they usually perform not well in MCL. Considering that the attention-free Mamba achieves excellent performances matching Transformers' on general sequence modeling tasks, in this paper, we aim to answer a question -- Can attention-free Mamba perform well on MCL? By formulating Mamba with selective state space models (SSMs) for MCL tasks, we propose to meta-learn Mamba as a continual learner, referred to as MambaCL. By incorporating selectivity regularization, we can effectively train MambaCL. Through comprehensive experiments across various CL tasks, we also explore how Mamba and other models perform in different MCL scenarios. Our experiments and analyses highlight the promising performance and generalization capabilities of Mamba in MCL.
3D-PDR Orion dataset and NeuralPDR: Neural Differential Equations for Photodissociation Regions
Authors: Gijs Vermariën, Serena Viti, Rahul Ravichandran, Thomas G. Bisbas
Date: 2024-12-01 00:00:00

We present a novel dataset of simulations of the photodissociation region (PDR) in the Orion Bar and provide benchmarks of emulators for the dataset. Numerical models of PDRs are computationally expensive since the modeling of these changing regions requires resolving the thermal balance and chemical composition along a line-of-sight into an interstellar cloud. This often makes it a bottleneck for 3D simulations of these regions. In this work, we provide a dataset of 8192 models with different initial conditions simulated with 3D-PDR. We then benchmark different architectures, focusing on Augmented Neural Ordinary Differential Equation (ANODE) based models (Code be found at https://github.com/uclchem/neuralpdr). Obtaining fast and robust emulators that can be included as preconditioners of classical codes or full emulators into 3D simulations of PDRs.