pwc-archive/papers-with-abstracts huggingface dataset:
Cross-Modality Translation with Generative Adversarial Networks to Unveil Alzheimer's Disease Biomarkers
Authors: Reihaneh Hassanzadeh, Anees Abrol, Hamid Reza Hassanzadeh, Vince D. Calhoun
Date: 2024-05-08 00:00:00
Tasks: Diagnostic, Functional Connectivity, Generative Adversarial Network, SSIM

Generative approaches for cross-modality transformation have recently gained significant attention in neuroimaging. While most previous work has focused on case-control data, the application of generative models to disorder-specific datasets and their ability to preserve diagnostic patterns remain relatively unexplored. Hence, in this study, we investigated the use of a generative adversarial network (GAN) in the context of Alzheimer's disease (AD) to generate functional network connectivity (FNC) and T1-weighted structural magnetic resonance imaging data from each other. We employed a cycle-GAN to synthesize data in an unpaired data transition and enhanced the transition by integrating weak supervision in cases where paired data were available. Our findings revealed that our model could offer remarkable capability, achieving a structural similarity index measure (SSIM) of $0.89 \pm 0.003$ for T1s and a correlation of $0.71 \pm 0.004$ for FNCs. Moreover, our qualitative analysis revealed similar patterns between generated and actual data when comparing AD to cognitively normal (CN) individuals. In particular, we observed significantly increased functional connectivity in cerebellar-sensory motor and cerebellar-visual networks and reduced connectivity in cerebellar-subcortical, auditory-sensory motor, sensory motor-visual, and cerebellar-cognitive control networks. Additionally, the T1 images generated by our model showed a similar pattern of atrophy in the hippocampal and other temporal regions of Alzheimer's patients.
Taking a Moment for Distributional Robustness
Authors: Jabari Hastings, Christopher Jung, Charlotte Peale, Vasilis Syrgkanis
Date: 2024-05-08 00:00:00

A rich line of recent work has studied distributionally robust learning approaches that seek to learn a hypothesis that performs well, in the worst-case, on many different distributions over a population. We argue that although the most common approaches seek to minimize the worst-case loss over distributions, a more reasonable goal is to minimize the worst-case distance to the true conditional expectation of labels given each covariate. Focusing on the minmax loss objective can dramatically fail to output a solution minimizing the distance to the true conditional expectation when certain distributions contain high levels of label noise. We introduce a new min-max objective based on what is known as the adversarial moment violation and show that minimizing this objective is equivalent to minimizing the worst-case $\ell_2$-distance to the true conditional expectation if we take the adversary's strategy space to be sufficiently rich. Previous work has suggested minimizing the maximum regret over the worst-case distribution as a way to circumvent issues arising from differential noise levels. We show that in the case of square loss, minimizing the worst-case regret is also equivalent to minimizing the worst-case $\ell_2$-distance to the true conditional expectation. Although their objective and our objective both minimize the worst-case distance to the true conditional expectation, we show that our approach provides large empirical savings in computational cost in terms of the number of groups, while providing the same noise-oblivious worst-distribution guarantee as the minimax regret approach, thus making positive progress on an open question posed by Agarwal and Zhang (2022).
Automated Program Repair: Emerging trends pose and expose problems for benchmarks
Authors: Joseph Renzullo, Pemma Reiter, Westley Weimer, Stephanie Forrest
Date: 2024-05-08 00:00:00
Tasks: Machine Translation, Program Repair, Translation, valid

Machine learning (ML) now pervades the field of Automated Program Repair (APR). Algorithms deploy neural machine translation and large language models (LLMs) to generate software patches, among other tasks. But, there are important differences between these applications of ML and earlier work. Evaluations and comparisons must take care to ensure that results are valid and likely to generalize. A challenge is that the most popular APR evaluation benchmarks were not designed with ML techniques in mind. This is especially true for LLMs, whose large and often poorly-disclosed training datasets may include problems on which they are evaluated.
Markowitz Meets Bellman: Knowledge-distilled Reinforcement Learning for Portfolio Management
Authors: Gang Hu, Ming Gu
Date: 2024-05-08 00:00:00
Tasks: Knowledge Distillation, Management, reinforcement-learning, Reinforcement Learning

Investment portfolios, central to finance, balance potential returns and risks. This paper introduces a hybrid approach combining Markowitz's portfolio theory with reinforcement learning, utilizing knowledge distillation for training agents. In particular, our proposed method, called KDD (Knowledge Distillation DDPG), consist of two training stages: supervised and reinforcement learning stages. The trained agents optimize portfolio assembly. A comparative analysis against standard financial models and AI frameworks, using metrics like returns, the Sharpe ratio, and nine evaluation indices, reveals our model's superiority. It notably achieves the highest yield and Sharpe ratio of 2.03, ensuring top profitability with the lowest risk in comparable return scenarios.
Large Language Model Enhanced Machine Learning Estimators for Classification
Authors: Yuhang Wu, Yingfei Wang, Chu Wang, Zeyu Zheng
Date: 2024-05-08 00:00:00
Tasks: Binary Classification, Language Modeling, Language Modelling, Large Language Model, Transfer Learning

Pre-trained large language models (LLM) have emerged as a powerful tool for simulating various scenarios and generating output given specific instructions and multimodal input. In this work, we analyze the specific use of LLM to enhance a classical supervised machine learning method for classification problems. We propose a few approaches to integrate LLM into a classical machine learning estimator to further enhance the prediction performance. We examine the performance of the proposed approaches through both standard supervised learning binary classification tasks, and a transfer learning task where the test data observe distribution changes compared to the training data. Numerical experiments using four publicly available datasets are conducted and suggest that using LLM to enhance classical machine learning estimators can provide significant improvement on prediction performance.
Searching for Programmatic Policies in Semantic Spaces
Authors: Rubens O. Moraes, Levi H. S. Lelis
Date: 2024-05-08 00:00:00

Syntax-guided synthesis is commonly used to generate programs encoding policies. In this approach, the set of programs, that can be written in a domain-specific language defines the search space, and an algorithm searches within this space for programs that encode strong policies. In this paper, we propose an alternative method for synthesizing programmatic policies, where we search within an approximation of the language's semantic space. We hypothesized that searching in semantic spaces is more sample-efficient compared to syntax-based spaces. Our rationale is that the search is more efficient if the algorithm evaluates different agent behaviors as it searches through the space, a feature often missing in syntax-based spaces. This is because small changes in the syntax of a program often do not result in different agent behaviors. We define semantic spaces by learning a library of programs that present different agent behaviors. Then, we approximate the semantic space by defining a neighborhood function for local search algorithms, where we replace parts of the current candidate program with programs from the library. We evaluated our hypothesis in a real-time strategy game called MicroRTS. Empirical results support our hypothesis that searching in semantic spaces can be more sample-efficient than searching in syntax-based spaces.
Latent Variable Double Gaussian Process Model for Decoding Complex Neural Data
Authors: Navid Ziaei, Joshua J. Stim, Melanie D. Goodman-Keiser, Scott Sponheim, Alik S. Widge, Sasoun Krikorian, Ali Yousefi
Date: 2024-05-08 00:00:00
Tasks: Decoder, Gaussian Processes

Non-parametric models, such as Gaussian Processes (GP), show promising results in the analysis of complex data. Their applications in neuroscience data have recently gained traction. In this research, we introduce a novel neural decoder model built upon GP models. The core idea is that two GPs generate neural data and their associated labels using a set of low- dimensional latent variables. Under this modeling assumption, the latent variables represent the underlying manifold or essential features present in the neural data. When GPs are trained, the latent variable can be inferred from neural data to decode the labels with a high accuracy. We demonstrate an application of this decoder model in a verbal memory experiment dataset and show that the decoder accuracy in predicting stimulus significantly surpasses the state-of-the-art decoder models. The preceding performance of this model highlights the importance of utilizing non-parametric models in the analysis of neuroscience data.
Initialization is Critical to Whether Transformers Fit Composite Functions by Reasoning or Memorizing
Authors: Zhongwang Zhang, Pengxiao Lin, Zhiwei Wang, Yaoyu Zhang, Zhi-Qin John Xu
Date: 2024-05-08 00:00:00

Transformers have shown impressive capabilities across various tasks, but their performance on compositional problems remains a topic of debate. In this work, we investigate the mechanisms of how transformers behave on unseen compositional tasks. We discover that the parameter initialization scale plays a critical role in determining whether the model learns inferential (reasoning-based) solutions, which capture the underlying compositional primitives, or symmetric (memory-based) solutions, which simply memorize mappings without understanding the compositional structure. By analyzing the information flow and vector representations within the model, we reveal the distinct mechanisms underlying these solution types. We further find that inferential (reasoning-based) solutions exhibit low complexity bias, which we hypothesize is a key factor enabling them to learn individual mappings for single anchors. We validate our conclusions on various real-world datasets. Our findings provide valuable insights into the role of initialization scale in tuning the reasoning and memorizing ability and we propose the initialization rate $\gamma$ to be a convenient tunable hyper-parameter in common deep learning frameworks, where $1/d_{\mathrm{in}}^\gamma$ is the standard deviation of parameters of the layer with $d_{\mathrm{in}}$ input neurons.
ASPIRE: Iterative Amortized Posterior Inference for Bayesian Inverse Problems
Authors: Rafael Orozco, Ali Siahkoohi, Mathias Louboutin, Felix J. Herrmann
Date: 2024-05-08 00:00:00
Tasks: Uncertainty Quantification, Variational Inference

Due to their uncertainty quantification, Bayesian solutions to inverse problems are the framework of choice in applications that are risk averse. These benefits come at the cost of computations that are in general, intractable. New advances in machine learning and variational inference (VI) have lowered the computational barrier by learning from examples. Two VI paradigms have emerged that represent different tradeoffs: amortized and non-amortized. Amortized VI can produce fast results but due to generalizing to many observed datasets it produces suboptimal inference results. Non-amortized VI is slower at inference but finds better posterior approximations since it is specialized towards a single observed dataset. Current amortized VI techniques run into a sub-optimality wall that can not be improved without more expressive neural networks or extra training data. We present a solution that enables iterative improvement of amortized posteriors that uses the same networks architectures and training data. The benefits of our method requires extra computations but these remain frugal since they are based on physics-hybrid methods and summary statistics. Importantly, these computations remain mostly offline thus our method maintains cheap and reusable online evaluation while bridging the approximation gap these two paradigms. We denote our proposed method ASPIRE - Amortized posteriors with Summaries that are Physics-based and Iteratively REfined. We first validate our method on a stylized problem with a known posterior then demonstrate its practical use on a high-dimensional and nonlinear transcranial medical imaging problem with ultrasound. Compared with the baseline and previous methods from the literature our method stands out as an computationally efficient and high-fidelity method for posterior inference.
Delta Tensor: Efficient Vector and Tensor Storage in Delta Lake
Authors: Zhiwei Bao, Liu Liao-Liao, Zhiyu Wu, Yifan Zhou, Dan Fan, Michal Aibin, Yvonne Coady, Andrew Brownsword
Date: 2024-05-03 00:00:00
Tasks: Management

The exponential growth of artificial intelligence (AI) and machine learning (ML) applications has necessitated the development of efficient storage solutions for vector and tensor data. This paper presents a novel approach for tensor storage in a Lakehouse architecture using Delta Lake. By adopting the multidimensional array storage strategy from array databases and sparse encoding methods to Delta Lake tables, experiments show that this approach has demonstrated notable improvements in both space and time efficiencies when compared to traditional serialization of tensors. These results provide valuable insights for the development and implementation of optimized vector and tensor storage solutions in data-intensive applications, contributing to the evolution of efficient data management practices in AI and ML domains in cloud-native environments
Model Reconstruction Using Counterfactual Explanations: A Perspective From Polytope Theory
Authors: Pasan Dissanayake, Sanghamitra Dutta
Date: 2024-05-08 00:00:00
Tasks: counterfactual, Model extraction

Counterfactual explanations provide ways of achieving a favorable model outcome with minimum input perturbation. However, counterfactual explanations can also be leveraged to reconstruct the model by strategically training a surrogate model to give similar predictions as the original (target) model. In this work, we analyze how model reconstruction using counterfactuals can be improved by further leveraging the fact that the counterfactuals also lie quite close to the decision boundary. Our main contribution is to derive novel theoretical relationships between the error in model reconstruction and the number of counterfactual queries required using polytope theory. Our theoretical analysis leads us to propose a strategy for model reconstruction that we call Counterfactual Clamping Attack (CCA) which trains a surrogate model using a unique loss function that treats counterfactuals differently than ordinary instances. Our approach also alleviates the related problem of decision boundary shift that arises in existing model reconstruction approaches when counterfactuals are treated as ordinary instances. Experimental results demonstrate that our strategy improves fidelity between the target and surrogate model predictions on several datasets.
Distributed Least Squares in Small Space via Sketching and Bias Reduction
Authors: Sachin Garg, Kevin Tan, Michał Dereziński
Date: 2024-05-08 00:00:00

Matrix sketching is a powerful tool for reducing the size of large data matrices. Yet there are fundamental limitations to this size reduction when we want to recover an accurate estimator for a task such as least square regression. We show that these limitations can be circumvented in the distributed setting by designing sketching methods that minimize the bias of the estimator, rather than its error. In particular, we give a sparse sketching method running in optimal space and current matrix multiplication time, which recovers a nearly-unbiased least squares estimator using two passes over the data. This leads to new communication-efficient distributed averaging algorithms for least squares and related tasks, which directly improve on several prior approaches. Our key novelty is a new bias analysis for sketched least squares, giving a sharp characterization of its dependence on the sketch sparsity. The techniques include new higher-moment restricted Bai-Silverstein inequalities, which are of independent interest to the non-asymptotic analysis of deterministic equivalents for random matrices that arise from sketching.
Multiplicative Dynamic Mode Decomposition
Authors: Nicolas Boullé, Matthew J. Colbrook
Date: 2024-05-08 00:00:00

Koopman operators are infinite-dimensional operators that linearize nonlinear dynamical systems, facilitating the study of their spectral properties and enabling the prediction of the time evolution of observable quantities. Recent methods have aimed to approximate Koopman operators while preserving key structures. However, approximating Koopman operators typically requires a dictionary of observables to capture the system's behavior in a finite-dimensional subspace. The selection of these functions is often heuristic, may result in the loss of spectral information, and can severely complicate structure preservation. This paper introduces Multiplicative Dynamic Mode Decomposition (MultDMD), which enforces the multiplicative structure inherent in the Koopman operator within its finite-dimensional approximation. Leveraging this multiplicative property, we guide the selection of observables and define a constrained optimization problem for the matrix approximation, which can be efficiently solved. MultDMD presents a structured approach to finite-dimensional approximations and can more accurately reflect the spectral properties of the Koopman operator. We elaborate on the theoretical framework of MultDMD, detailing its formulation, optimization strategy, and convergence properties. The efficacy of MultDMD is demonstrated through several examples, including the nonlinear pendulum, the Lorenz system, and fluid dynamics data, where we demonstrate its remarkable robustness to noise.
Harmonizing Program Induction with Rate-Distortion Theory
Authors: Hanqi Zhou, David G. Nagy, Charley M. Wu
Date: 2024-05-08 00:00:00
Tasks: Program induction

Many aspects of human learning have been proposed as a process of constructing mental programs: from acquiring symbolic number representations to intuitive theories about the world. In parallel, there is a long-tradition of using information processing to model human cognition through Rate Distortion Theory (RDT). Yet, it is still poorly understood how to apply RDT when mental representations take the form of programs. In this work, we adapt RDT by proposing a three way trade-off among rate (description length), distortion (error), and computational costs (search budget). We use simulations on a melody task to study the implications of this trade-off, and show that constructing a shared program library across tasks provides global benefits. However, this comes at the cost of sensitivity to curricula, which is also characteristic of human learners. Finally, we use methods from partial information decomposition to generate training curricula that induce more effective libraries and better generalization.
A Review on Fragment-based De Novo 2D Molecule Generation
Authors: Sergei Voloboev
Date: 2024-05-08 00:00:00

In the field of computational molecule generation, an essential task in the discovery of new chemical compounds, fragment-based deep generative models are a leading approach, consistently achieving state-of-the-art results in molecular design benchmarks as of 2023. We present a detailed comparative assessment of their architectures, highlighting their unique approaches to molecular fragmentation and generative modeling. This review also includes comparisons of output quality, generation speed, and the current limitations of specific models. We also highlight promising avenues for future research that could bridge fragment-based models to real-world applications.
Learning Social Graph for Inactive User Recommendation
Authors: Nian Liu, Shen Fan, Ting Bai, Peng Wang, Mingwei Sun, Yanhu Mo, Xiaoxiao Xu, Hong Liu, Chuan Shi
Date: 2024-05-08 00:00:00
Tasks: Graph structure learning, Recommendation Systems

Social relations have been widely incorporated into recommender systems to alleviate data sparsity problem. However, raw social relations don't always benefit recommendation due to their inferior quality and insufficient quantity, especially for inactive users, whose interacted items are limited. In this paper, we propose a novel social recommendation method called LSIR (\textbf{L}earning \textbf{S}ocial Graph for \textbf{I}nactive User \textbf{R}ecommendation) that learns an optimal social graph structure for social recommendation, especially for inactive users. LSIR recursively aggregates user and item embeddings to collaboratively encode item and user features. Then, graph structure learning (GSL) is employed to refine the raw user-user social graph, by removing noisy edges and adding new edges based on the enhanced embeddings. Meanwhile, mimic learning is implemented to guide active users in mimicking inactive users during model training, which improves the construction of new edges for inactive users. Extensive experiments on real-world datasets demonstrate that LSIR achieves significant improvements of up to 129.58\% on NDCG in inactive user recommendation. Our code is available at~\url{https://github.com/liun-online/LSIR}.
Inference With Combining Rules From Multiple Differentially Private Synthetic Datasets
Authors: Leila Nombo, Anne-Sophie Charest
Date: 2024-05-08 00:00:00
Tasks: Synthetic Data Generation

Differential privacy (DP) has been accepted as a rigorous criterion for measuring the privacy protection offered by random mechanisms used to obtain statistics or, as we will study here, synthetic datasets from confidential data. Methods to generate such datasets are increasingly numerous, using varied tools including Bayesian models, deep neural networks and copulas. However, little is still known about how to properly perform statistical inference with these differentially private synthetic (DIPS) datasets. The challenge is for the analyses to take into account the variability from the synthetic data generation in addition to the usual sampling variability. A similar challenge also occurs when missing data is imputed before analysis, and statisticians have developed appropriate inference procedures for this case, which we tend extended to the case of synthetic datasets for privacy. In this work, we study the applicability of these procedures, based on combining rules, to the analysis of DIPS datasets. Our empirical experiments show that the proposed combining rules may offer accurate inference in certain contexts, but not in all cases.
The Detection of KIC 1718360, A Rotating Variable with a Possible Companion, Using Machine Learning
Authors: Jakob Roche
Date: 2024-05-07 00:00:00

This paper presents the detection of a periodic dimming event in the lightcurve of the G1.5IV-V type star KIC 1718360. This is based on visible-light observations conducted by both the TESS and Kepler space telescopes. Analysis of the data seems to point toward a high rotation rate in the star, with a rotational period of 2.938 days. The high variability seen within the star's lightcurve points toward classification as a rotating variable. The initial observation was made in Kepler Quarter 16 data using the One-Class SVM machine learning method. Subsequent observations by the TESS space telescope corroborated these findings. It appears that KIC 1718360 is a nearby rotating variable that appears in little to no major catalogs as such. A secondary, additional periodic dip is also present, indicating a possible exoplanetary companion.