pwc-archive/papers-with-abstracts huggingface dataset:
Multi-scale structural complexity as a quantitative measure of visual complexity
Authors: Anna Kravchenko, Andrey A. Bagrov, Mikhail I. Katsnelson, Veronica Dudarev
Date: 2024-08-07 00:00:00

While intuitive for humans, the concept of visual complexity is hard to define and quantify formally. We suggest adopting the multi-scale structural complexity (MSSC) measure, an approach that defines structural complexity of an object as the amount of dissimilarities between distinct scales in its hierarchical organization. In this work, we apply MSSC to the case of visual stimuli, using an open dataset of images with subjective complexity scores obtained from human participants (SAVOIAS). We demonstrate that MSSC correlates with subjective complexity on par with other computational complexity measures, while being more intuitive by definition, consistent across categories of images, and easier to compute. We discuss objective and subjective elements inherently present in human perception of complexity and the domains where the two are more likely to diverge. We show how the multi-scale nature of MSSC allows further investigation of complexity as it is perceived by humans.
Do Sharpness-based Optimizers Improve Generalization in Medical Image Analysis?
Authors: Mohamed Hassan, Aleksandar Vakanski, Min Xian
Date: 2024-08-07 00:00:00
Tasks: Deep Learning, Medical Image Analysis

Effective clinical deployment of deep learning models in healthcare demands high generalization performance to ensure accurate diagnosis and treatment planning. In recent years, significant research has focused on improving the generalization of deep learning models by regularizing the sharpness of the loss landscape. Among the optimization approaches that explicitly minimize sharpness, Sharpness-Aware Minimization (SAM) has shown potential in enhancing generalization performance on general domain image datasets. This success has led to the development of several advanced sharpness-based algorithms aimed at addressing the limitations of SAM, such as Adaptive SAM, surrogate-Gap SAM, Weighted SAM, and Curvature Regularized SAM. These sharpness-based optimizers have shown improvements in model generalization compared to conventional stochastic gradient descent optimizers and their variants on general domain image datasets, but they have not been thoroughly evaluated on medical images. This work provides a review of recent sharpness-based methods for improving the generalization of deep learning networks and evaluates the methods performance on medical breast ultrasound images. Our findings indicate that the initial SAM method successfully enhances the generalization of various deep learning models. While Adaptive SAM improves generalization of convolutional neural networks, it fails to do so for vision transformers. Other sharpness-based optimizers, however, do not demonstrate consistent results. The results reveal that, contrary to findings in the non-medical domain, SAM is the only recommended sharpness-based optimizer that consistently improves generalization in medical image analysis, and further research is necessary to refine the variants of SAM to enhance generalization performance in this field
Task-oriented Sequential Grounding in 3D Scenes
Authors: Zhuofan Zhang, Ziyu Zhu, Pengxiang Li, Tengyu Liu, Xiaojian Ma, Yixin Chen, Baoxiong Jia, Siyuan Huang, Qing Li
Date: 2024-08-07 00:00:00
Tasks: 3D visual grounding, Visual Grounding

Grounding natural language in physical 3D environments is essential for the advancement of embodied artificial intelligence. Current datasets and models for 3D visual grounding predominantly focus on identifying and localizing objects from static, object-centric descriptions. These approaches do not adequately address the dynamic and sequential nature of task-oriented grounding necessary for practical applications. In this work, we propose a new task: Task-oriented Sequential Grounding in 3D scenes, wherein an agent must follow detailed step-by-step instructions to complete daily activities by locating a sequence of target objects in indoor scenes. To facilitate this task, we introduce SG3D, a large-scale dataset containing 22,346 tasks with 112,236 steps across 4,895 real-world 3D scenes. The dataset is constructed using a combination of RGB-D scans from various 3D scene datasets and an automated task generation pipeline, followed by human verification for quality assurance. We adapted three state-of-the-art 3D visual grounding models to the sequential grounding task and evaluated their performance on SG3D. Our results reveal that while these models perform well on traditional benchmarks, they face significant challenges with task-oriented sequential grounding, underscoring the need for further research in this area.
Image-to-LaTeX Converter for Mathematical Formulas and Text
Authors: Daniil Gurgurov, Aleksey Morshnev
Date: 2024-08-07 00:00:00
Tasks: Decoder, GPU

In this project, we train a vision encoder-decoder model to generate LaTeX code from images of mathematical formulas and text. Utilizing a diverse collection of image-to-LaTeX data, we build two models: a base model with a Swin Transformer encoder and a GPT-2 decoder, trained on machine-generated images, and a fine-tuned version enhanced with Low-Rank Adaptation (LoRA) trained on handwritten formulas. We then compare the BLEU performance of our specialized model on a handwritten test set with other similar models, such as Pix2Text, TexTeller, and Sumen. Through this project, we contribute open-source models for converting images to LaTeX and provide from-scratch code for building these models with distributed training and GPU optimizations.
Risk and cross validation in ridge regression with correlated samples
Authors: Alexander Atanasov, Jacob A. Zavatone-Veth, Cengiz Pehlevan
Date: 2024-08-08 00:00:00
Tasks: regression, Time Series, Time Series Forecasting

Recent years have seen substantial advances in our understanding of high-dimensional ridge regression, but existing theories assume that training examples are independent. By leveraging techniques from random matrix theory and free probability, we provide sharp asymptotics for the in- and out-of-sample risks of ridge regression when the data points have arbitrary correlations. We demonstrate that in this setting, the generalized cross validation estimator (GCV) fails to correctly predict the out-of-sample risk. However, in the case where the noise residuals have the same correlations as the data points, one can modify the GCV to yield an efficiently-computable unbiased estimator that concentrates in the high-dimensional limit, which we dub CorrGCV. We further extend our asymptotic analysis to the case where the test point has nontrivial correlations with the training set, a setting often encountered in time series forecasting. Assuming knowledge of the correlation structure of the time series, this again yields an extension of the GCV estimator, and sharply characterizes the degree to which such test points yield an overly optimistic prediction of long-time risk. We validate the predictions of our theory across a variety of high dimensional data.
Learn To Learn More Precisely
Authors: Runxi Cheng, Yongxian Wei, Xianglong He, Wanyun Zhu, Songsong Huang, Fei Richard Yu, Fei Ma, Chun Yuan
Date: 2024-08-08 00:00:00
Tasks: Few-Shot Learning, Meta-Learning

Meta-learning has been extensively applied in the domains of few-shot learning and fast adaptation, achieving remarkable performance. While Meta-learning methods like Model-Agnostic Meta-Learning (MAML) and its variants provide a good set of initial parameters for the model, the model still tends to learn shortcut features, which leads to poor generalization. In this paper, we propose the formal conception of "learn to learn more precisely", which aims to make the model learn precise target knowledge from data and reduce the effect of noisy knowledge, such as background and noise. To achieve this target, we proposed a simple and effective meta-learning framework named Meta Self-Distillation(MSD) to maximize the consistency of learned knowledge, enhancing the models' ability to learn precise target knowledge. In the inner loop, MSD uses different augmented views of the same support data to update the model respectively. Then in the outer loop, MSD utilizes the same query data to optimize the consistency of learned knowledge, enhancing the model's ability to learn more precisely. Our experiment demonstrates that MSD exhibits remarkable performance in few-shot classification tasks in both standard and augmented scenarios, effectively boosting the accuracy and consistency of knowledge learned by the model.
Optimization-Driven Adaptive Experimentation
Authors: Ethan Che, Daniel R. Jiang, Hongseok Namkoong, Jimmy Wang
Date: 2024-08-08 00:00:00
Tasks: GPU, Thompson Sampling

Real-world experiments involve batched & delayed feedback, non-stationarity, multiple objectives & constraints, and (often some) personalization. Tailoring adaptive methods to address these challenges on a per-problem basis is infeasible, and static designs remain the de facto standard. Focusing on short-horizon ($\le 10$) adaptive experiments, we move away from bespoke algorithms and present a mathematical programming formulation that can flexibly incorporate a wide range of objectives, constraints, and statistical procedures. We formulating a dynamic program based on central limit approximations, which enables the use of scalable optimization methods based on auto-differentiation and GPU parallelization. To evaluate our framework, we implement a simple heuristic planning method ("solver") and benchmark it across hundreds of problem instances involving non-stationarity, personalization, and multiple objectives & constraints. Unlike bespoke methods (e.g., Thompson sampling variants), our mathematical programming framework provides consistent gains over static randomized control trials and exhibits robust performance across problem instances.
Activation degree thresholds and expressiveness of polynomial neural networks
Authors: Bella Finkel, Jose Israel Rodriguez, Chenxi Wu, Thomas Yahl
Date: 2024-08-08 00:00:00
Tasks: Polynomial Neural Networks

We study the expressive power of deep polynomial neural networks through the geometry of their neurovariety. We introduce the notion of the activation degree threshold of a network architecture to express when the dimension of the neurovariety achieves its theoretical maximum. We prove the existence of the activation degree threshold for all polynomial neural networks without width-one bottlenecks and demonstrate a universal upper bound that is quadratic in the width of largest size. In doing so, we prove the high activation degree conjecture of Kileel, Trager, and Bruna. Certain structured architectures have exceptional activation degree thresholds, making them especially expressive in the sense of their neurovariety dimension. In this direction, we prove that polynomial neural networks with equi-width architectures are maximally expressive by showing their activation degree threshold is one.
BA-LoRA: Bias-Alleviating Low-Rank Adaptation to Mitigate Catastrophic Inheritance in Large Language Models
Authors: Yupeng Chang, Yi Chang, Yuan Wu
Date: 2024-08-08 00:00:00
Tasks: Diversity, Natural Language Understanding, parameter-efficient fine-tuning, Text Generation

Large language models (LLMs) have demonstrated remarkable proficiency across various natural language processing (NLP) tasks. However, adapting LLMs to downstream applications requires computationally intensive and memory-demanding fine-tuning procedures. To alleviate these burdens, parameter-efficient fine-tuning (PEFT) techniques have emerged as a promising approach to tailor LLMs with minimal computational overhead. While PEFT methods offer substantial advantages, they do not fully address the pervasive issue of bias propagation from pre-training data. This work introduces Bias-Alleviating Low-Rank Adaptation (BA-LoRA), a novel PEFT method designed to counteract bias inheritance. BA-LoRA incorporates three distinct regularization terms: (1) a consistency regularizer, (2) a diversity regularizer, and (3) a singular value decomposition regularizer. These regularizers aim to enhance the models' consistency, diversity, and generalization capabilities during fine-tuning. We conduct extensive experiments on natural language understanding (NLU) and natural language generation (NLG) tasks using prominent LLMs such as LLaMA, Mistral, and Gemma. The results demonstrate that BA-LoRA outperforms LoRA and its state-of-the-art variants. Moreover, our method effectively mitigates the adverse effects of pre-training bias, leading to more reliable and robust model outputs. The code is available at https://github.com/cyp-jlu-ai/BA-LoRA.
Quantum Machine Learning: Performance and Security Implications in Real-World Applications
Authors: Zhengping Jay Luo, Tyler Stewart, Mourya Narasareddygari, Rui Duan, Shangqing Zhao
Date: 2024-08-08 00:00:00
Tasks: CPU, Quantum Machine Learning

Quantum computing has garnered significant attention in recent years from both academia and industry due to its potential to achieve a "quantum advantage" over classical computers. The advent of quantum computing introduces new challenges for security and privacy. This poster explores the performance and security implications of quantum computing through a case study of machine learning in a real-world application. We compare the performance of quantum machine learning (QML) algorithms to their classical counterparts using the Alzheimer's disease dataset. Our results indicate that QML algorithms show promising potential while they still have not surpassed classical algorithms in terms of learning capability and convergence difficulty, and running quantum algorithms through simulations on classical computers requires significantly large memory space and CPU time. Our study also indicates that QMLs have inherited vulnerabilities from classical machine learning algorithms while also introduce new attack vectors.
How Transformers Utilize Multi-Head Attention in In-Context Learning? A Case Study on Sparse Linear Regression
Authors: Xingwu Chen, Lei Zhao, Difan Zou
Date: 2024-08-08 00:00:00
Tasks: In-Context Learning, regression

Despite the remarkable success of transformer-based models in various real-world tasks, their underlying mechanisms remain poorly understood. Recent studies have suggested that transformers can implement gradient descent as an in-context learner for linear regression problems and have developed various theoretical analyses accordingly. However, these works mostly focus on the expressive power of transformers by designing specific parameter constructions, lacking a comprehensive understanding of their inherent working mechanisms post-training. In this study, we consider a sparse linear regression problem and investigate how a trained multi-head transformer performs in-context learning. We experimentally discover that the utilization of multi-heads exhibits different patterns across layers: multiple heads are utilized and essential in the first layer, while usually only a single head is sufficient for subsequent layers. We provide a theoretical explanation for this observation: the first layer preprocesses the context data, and the following layers execute simple optimization steps based on the preprocessed context. Moreover, we demonstrate that such a preprocess-then-optimize algorithm can significantly outperform naive gradient descent and ridge regression algorithms. Further experimental results support our explanations. Our findings offer insights into the benefits of multi-head attention and contribute to understanding the more intricate mechanisms hidden within trained transformers.
AExGym: Benchmarks and Environments for Adaptive Experimentation
Authors: Jimmy Wang, Ethan Che, Daniel R. Jiang, Hongseok Namkoong
Date: 2024-08-08 00:00:00

Innovations across science and industry are evaluated using randomized trials (a.k.a. A/B tests). While simple and robust, such static designs are inefficient or infeasible for testing many hypotheses. Adaptive designs can greatly improve statistical power in theory, but they have seen limited adoption due to their fragility in practice. We present a benchmark for adaptive experimentation based on real-world datasets, highlighting prominent practical challenges to operationalizing adaptivity: non-stationarity, batched/delayed feedback, multiple outcomes and objectives, and external validity. Our benchmark aims to spur methodological development that puts practical performance (e.g., robustness) as a central concern, rather than mathematical guarantees on contrived instances. We release an open source library, AExGym, which is designed with modularity and extensibility in mind to allow experimentation practitioners to develop custom environments and algorithms.
Hybrid Reinforcement Learning Breaks Sample Size Barriers in Linear MDPs
Authors: Kevin Tan, Wei Fan, Yuting Wei
Date: 2024-08-08 00:00:00
Tasks: Offline RL, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Hybrid Reinforcement Learning (RL), where an agent learns from both an offline dataset and online explorations in an unknown environment, has garnered significant recent interest. A crucial question posed by Xie et al. (2022) is whether hybrid RL can improve upon the existing lower bounds established in purely offline and purely online RL without relying on the single-policy concentrability assumption. While Li et al. (2023) provided an affirmative answer to this question in the tabular PAC RL case, the question remains unsettled for both the regret-minimizing RL case and the non-tabular case. In this work, building upon recent advancements in offline RL and reward-agnostic exploration, we develop computationally efficient algorithms for both PAC and regret-minimizing RL with linear function approximation, without single-policy concentrability. We demonstrate that these algorithms achieve sharper error or regret bounds that are no worse than, and can improve on, the optimal sample complexity in offline RL (the first algorithm, for PAC RL) and online RL (the second algorithm, for regret-minimizing RL) in linear Markov decision processes (MDPs), regardless of the quality of the behavior policy. To our knowledge, this work establishes the tightest theoretical guarantees currently available for hybrid RL in linear MDPs.
Advancing Molecular Machine Learning Representations with Stereoelectronics-Infused Molecular Graphs
Authors: Daniil A. Boiko, Thiago Reschützegger, Benjamin Sanchez-Lengeling, Samuel M. Blau, Gabe Gomes
Date: 2024-08-08 00:00:00
Tasks: Graph Neural Network, Molecular Property Prediction, molecular representation, Property Prediction

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global features, and simple molecular graphs that are inherently information-sparse representations. However, as the complexity of prediction tasks increases, the molecular representation needs to encode higher fidelity information. This work introduces a novel approach to infusing quantum-chemical-rich information into molecular graphs via stereoelectronic effects, enhancing expressivity and interpretability. Learning to predict the stereoelectronics-infused representation with a tailored double graph neural network workflow enables its application to any downstream molecular machine learning task without expensive quantum chemical calculations. We show that the explicit addition of stereoelectronic information significantly improves the performance of message-passing 2D machine learning models for molecular property prediction. We show that the learned representations trained on small molecules can accurately extrapolate to much larger molecular structures, yielding chemical insight into orbital interactions for previously intractable systems, such as entire proteins, opening new avenues of molecular design. Finally, we have developed a web application (simg.cheme.cmu.edu) where users can rapidly explore stereoelectronic information for their own molecular systems.
Knowledge-Aided Semantic Communication Leveraging Probabilistic Graphical Modeling
Authors: Haowen Wan, Qianqian Yang, Jiancheng Tang, Zhiguo Shi
Date: 2024-08-08 00:00:00
Tasks: Semantic Communication

In this paper, we propose a semantic communication approach based on probabilistic graphical model (PGM). The proposed approach involves constructing a PGM from a training dataset, which is then shared as common knowledge between the transmitter and receiver. We evaluate the importance of various semantic features and present a PGM-based compression algorithm designed to eliminate predictable portions of semantic information. Furthermore, we introduce a technique to reconstruct the discarded semantic information at the receiver end, generating approximate results based on the PGM. Simulation results indicate a significant improvement in transmission efficiency over existing methods, while maintaining the quality of the transmitted images.
Model-Based Transfer Learning for Contextual Reinforcement Learning
Authors: Jung-Hoon Cho, Vindula Jayawardana, Sirui Li, Cathy Wu
Date: 2024-08-08 00:00:00
Tasks: Bayesian Optimization, continuous-control, Continuous Control, Deep Reinforcement Learning, Gaussian Processes, model, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Transfer Learning

Deep reinforcement learning (RL) is a powerful approach to complex decision making. However, one issue that limits its practical application is its brittleness, sometimes failing to train in the presence of small changes in the environment. Motivated by the success of zero-shot transfer-where pre-trained models perform well on related tasks-we consider the problem of selecting a good set of training tasks to maximize generalization performance across a range of tasks. Given the high cost of training, it is critical to select training tasks strategically, but not well understood how to do so. We hence introduce Model-Based Transfer Learning (MBTL), which layers on top of existing RL methods to effectively solve contextual RL problems. MBTL models the generalization performance in two parts: 1) the performance set point, modeled using Gaussian processes, and 2) performance loss (generalization gap), modeled as a linear function of contextual similarity. MBTL combines these two pieces of information within a Bayesian optimization (BO) framework to strategically select training tasks. We show theoretically that the method exhibits sublinear regret in the number of training tasks and discuss conditions to further tighten regret bounds. We experimentally validate our methods using urban traffic and standard continuous control benchmarks. The experimental results suggest that MBTL can achieve up to 43x improved sample efficiency compared with canonical independent training and multi-task training. Further experiments demonstrate the efficacy of BO and the insensitivity to the underlying RL algorithm and hyperparameters. This work lays the foundations for investigating explicit modeling of generalization, thereby enabling principled yet effective methods for contextual RL.