pwc-archive/papers-with-abstracts huggingface dataset:
Improve ROI with Causal Learning and Conformal Prediction
Authors: Meng Ai, Zhuo Chen, Jibin Wang, Jing Shang, Tao Tao, Zhen Li
Date: 2024-07-01 00:00:00
Tasks: Conformal Prediction, Decision Making, Marketing, Prediction

In the commercial sphere, such as operations and maintenance, advertising, and marketing recommendations, intelligent decision-making utilizing data mining and neural network technologies is crucial, especially in resource allocation to optimize ROI. This study delves into the Cost-aware Binary Treatment Assignment Problem (C-BTAP) across different industries, with a focus on the state-of-the-art Direct ROI Prediction (DRP) method. However, the DRP model confronts issues like covariate shift and insufficient training data, hindering its real-world effectiveness. Addressing these challenges is essential for ensuring dependable and robust predictions in varied operational contexts. This paper presents a robust Direct ROI Prediction (rDRP) method, designed to address challenges in real-world deployment of neural network-based uplift models, particularly under conditions of covariate shift and insufficient training data. The rDRP method, enhancing the standard DRP model, does not alter the model's structure or require retraining. It utilizes conformal prediction and Monte Carlo dropout for interval estimation, adapting to model uncertainty and data distribution shifts. A heuristic calibration method, inspired by a Kaggle competition, combines point and interval estimates. The effectiveness of these approaches is validated through offline tests and online A/B tests in various settings, demonstrating significant improvements in target rewards compared to the state-of-the-art method.
Joint Pruning and Channel-wise Mixed-Precision Quantization for Efficient Deep Neural Networks
Authors: Beatrice Alessandra Motetti, Matteo Risso, Alessio Burrello, Enrico Macii, Massimo Poncino, Daniele Jahier Pagliari
Date: 2024-07-01 00:00:00
Tasks: Quantization

The resource requirements of deep neural networks (DNNs) pose significant challenges to their deployment on edge devices. Common approaches to address this issue are pruning and mixed-precision quantization, which lead to latency and memory occupation improvements. These optimization techniques are usually applied independently. We propose a novel methodology to apply them jointly via a lightweight gradient-based search, and in a hardware-aware manner, greatly reducing the time required to generate Pareto-optimal DNNs in terms of accuracy versus cost (i.e., latency or memory). We test our approach on three edge-relevant benchmarks, namely CIFAR-10, Google Speech Commands, and Tiny ImageNet. When targeting the optimization of the memory footprint, we are able to achieve a size reduction of 47.50% and 69.54% at iso-accuracy with the baseline networks with all weights quantized at 8 and 2-bit, respectively. Our method surpasses a previous state-of-the-art approach with up to 56.17% size reduction at iso-accuracy. With respect to the sequential application of state-of-the-art pruning and mixed-precision optimizations, we obtain comparable or superior results, but with a significantly lowered training time. In addition, we show how well-tailored cost models can improve the cost versus accuracy trade-offs when targeting specific hardware for deployment.
SE(3)-Hyena Operator for Scalable Equivariant Learning
Authors: Artem Moskalev, Mangal Prakash, Rui Liao, Tommaso Mansi
Date: 2024-07-01 00:00:00

Modeling global geometric context while maintaining equivariance is crucial for accurate predictions in many fields such as biology, chemistry, or vision. Yet, this is challenging due to the computational demands of processing high-dimensional data at scale. Existing approaches such as equivariant self-attention or distance-based message passing, suffer from quadratic complexity with respect to sequence length, while localized methods sacrifice global information. Inspired by the recent success of state-space and long-convolutional models, in this work, we introduce SE(3)-Hyena operator, an equivariant long-convolutional model based on the Hyena operator. The SE(3)-Hyena captures global geometric context at sub-quadratic complexity while maintaining equivariance to rotations and translations. Evaluated on equivariant associative recall and n-body modeling, SE(3)-Hyena matches or outperforms equivariant self-attention while requiring significantly less memory and computational resources for long sequences. Our model processes the geometric context of 20k tokens x3.5 times faster than the equivariant transformer and allows x175 longer a context within the same memory budget.
Ranking by Lifts: A Cost-Benefit Approach to Large-Scale A/B Tests
Authors: Pallavi Basu, Ron Berman
Date: 2024-07-01 00:00:00
Tasks: valid

A/B testers that conduct large-scale tests often prioritize lifts as the main outcome metric and want to be able to control costs resulting from false rejections of the null. This work develops a decision-theoretic framework for maximizing profits subject to false discovery rate (FDR) control. We build an empirical Bayes solution for the problem via a greedy knapsack approach. We derive an oracle rule based on ranking the ratio of expected lifts and the cost of wrong rejections using the local false discovery rate (lfdr) statistic. Our oracle decision rule is valid and optimal for large-scale tests. Further, we establish asymptotic validity for the data-driven procedure and demonstrate finite-sample validity in experimental studies. We also demonstrate the merit of the proposed method over other FDR control methods. Finally, we discuss an application to data collected by experiments on the Optimizely platform.
Neural Networks Trained by Weight Permutation are Universal Approximators
Authors: Yongqiang Cai, Gaohang Chen, Zhonghua Qiao
Date: 2024-07-01 00:00:00

The universal approximation property is fundamental to the success of neural networks, and has traditionally been achieved by training networks without any constraints on their parameters. However, recent experimental research proposed a novel permutation-based training method, which exhibited a desired classification performance without modifying the exact weight values. In this paper, we provide a theoretical guarantee of this permutation training method by proving its ability to guide a ReLU network to approximate one-dimensional continuous functions. Our numerical results further validate this method's efficiency in regression tasks with various initializations. The notable observations during weight permutation suggest that permutation training can provide an innovative tool for describing network learning behavior.
PocketLLM: Enabling On-Device Fine-Tuning for Personalized LLMs
Authors: Dan Peng, Zhihui Fu, Jun Wang
Date: 2024-07-01 00:00:00

Recent advancements in large language models (LLMs) have indeed showcased their impressive capabilities. On mobile devices, the wealth of valuable, non-public data generated daily holds great promise for locally fine-tuning personalized LLMs, while maintaining privacy through on-device processing. However, the constraints of mobile device resources pose challenges to direct on-device LLM fine-tuning, mainly due to the memory-intensive nature of derivative-based optimization required for saving gradients and optimizer states. To tackle this, we propose employing derivative-free optimization techniques to enable on-device fine-tuning of LLM, even on memory-limited mobile devices. Empirical results demonstrate that the RoBERTa-large model and OPT-1.3B can be fine-tuned locally on the OPPO Reno 6 smartphone using around 4GB and 6.5GB of memory respectively, using derivative-free optimization techniques. This highlights the feasibility of on-device LLM fine-tuning on mobile devices, paving the way for personalized LLMs on resource-constrained devices while safeguarding data privacy.
DistML.js: Installation-free Distributed Deep Learning Framework for Web Browsers
Authors: Masatoshi Hidaka, Tomohiro Hashimoto, Yuto Nishizawa, Tatsuya Harada
Date: 2024-07-01 00:00:00
Tasks: Deep Learning

We present "DistML.js", a library designed for training and inference of machine learning models within web browsers. Not only does DistML.js facilitate model training on local devices, but it also supports distributed learning through communication with servers. Its design and define-by-run API for deep learning model construction resemble PyTorch, thereby reducing the learning curve for prototyping. Matrix computations involved in model training and inference are executed on the backend utilizing WebGL, enabling high-speed calculations. We provide a comprehensive explanation of DistML.js's design, API, and implementation, alongside practical applications including data parallelism in learning. The source code is publicly available at https://github.com/mil-tokyo/distmljs.
Bayesian Entropy Neural Networks for Physics-Aware Prediction
Authors: Rahul Rathnakumar, Jiayu Huang, Hao Yan, Yongming Liu
Date: 2024-07-01 00:00:00
Tasks: Prediction, Uncertainty Quantification

This paper addresses the need for deep learning models to integrate well-defined constraints into their outputs, driven by their application in surrogate models, learning with limited data and partial information, and scenarios requiring flexible model behavior to incorporate non-data sample information. We introduce Bayesian Entropy Neural Networks (BENN), a framework grounded in Maximum Entropy (MaxEnt) principles, designed to impose constraints on Bayesian Neural Network (BNN) predictions. BENN is capable of constraining not only the predicted values but also their derivatives and variances, ensuring a more robust and reliable model output. To achieve simultaneous uncertainty quantification and constraint satisfaction, we employ the method of multipliers approach. This allows for the concurrent estimation of neural network parameters and the Lagrangian multipliers associated with the constraints. Our experiments, spanning diverse applications such as beam deflection modeling and microstructure generation, demonstrate the effectiveness of BENN. The results highlight significant improvements over traditional BNNs and showcase competitive performance relative to contemporary constrained deep learning methods.
FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames
Authors: Ruidong Wu, Ruihan Guo, Rui Wang, Shitong Luo, Yue Xu, Jiahan Li, Jianzhu Ma, Qiang Liu, Yunan Luo, Jian Peng
Date: 2024-07-01 00:00:00
Tasks: Protein Folding

Despite the striking success of general protein folding models such as AlphaFold2(AF2, Jumper et al. (2021)), the accurate computational modeling of antibody-antigen complexes remains a challenging task. In this paper, we first analyze AF2's primary loss function, known as the Frame Aligned Point Error (FAPE), and raise a previously overlooked issue that FAPE tends to face gradient vanishing problem on high-rotational-error targets. To address this fundamental limitation, we propose a novel geodesic loss called Frame Aligned Frame Error (FAFE, denoted as F2E to distinguish from FAPE), which enables the model to better optimize both the rotational and translational errors between two frames. We then prove that F2E can be reformulated as a group-aware geodesic loss, which translates the optimization of the residue-to-residue error to optimizing group-to-group geodesic frame distance. By fine-tuning AF2 with our proposed new loss function, we attain a correct rate of 52.3\% (DockQ $>$ 0.23) on an evaluation set and 43.8\% correct rate on a subset with low homology, with substantial improvement over AF2 by 182\% and 100\% respectively.
MARLP: Time-series Forecasting Control for Agricultural Managed Aquifer Recharge
Authors: Yuning Chen, Kang Yang, Zhiyu An, Brady Holder, Luke Paloutzian, Khaled Bali, Wan Du
Date: 2024-07-01 00:00:00
Tasks: Model Predictive Control, Scheduling, Time Series, Time Series Forecasting

The rapid decline in groundwater around the world poses a significant challenge to sustainable agriculture. To address this issue, agricultural managed aquifer recharge (Ag-MAR) is proposed to recharge the aquifer by artificially flooding agricultural lands using surface water. Ag-MAR requires a carefully selected flooding schedule to avoid affecting the oxygen absorption of crop roots. However, current Ag-MAR scheduling does not take into account complex environmental factors such as weather and soil oxygen, resulting in crop damage and insufficient recharging amounts. This paper proposes MARLP, the first end-to-end data-driven control system for Ag-MAR. We first formulate Ag-MAR as an optimization problem. To that end, we analyze four-year in-field datasets, which reveal the multi-periodicity feature of the soil oxygen level trends and the opportunity to use external weather forecasts and flooding proposals as exogenous clues for soil oxygen prediction. Then, we design a two-stage forecasting framework. In the first stage, it extracts both the cross-variate dependency and the periodic patterns from historical data to conduct preliminary forecasting. In the second stage, it uses weather-soil and flooding-soil causality to facilitate an accurate prediction of soil oxygen levels. Finally, we conduct model predictive control (MPC) for Ag-MAR flooding. To address the challenge of large action spaces, we devise a heuristic planning module to reduce the number of flooding proposals to enable the search for optimal solutions. Real-world experiments show that MARLP reduces the oxygen deficit ratio by 86.8% while improving the recharging amount in unit time by 35.8%, compared with the previous four years.
CURLS: Causal Rule Learning for Subgroups with Significant Treatment Effect
Authors: Jiehui Zhou, Linxiao Yang, Xingyu Liu, Xinyue Gu, Liang Sun, Wei Chen
Date: 2024-07-01 00:00:00
Tasks: Causal Inference, Management

In causal inference, estimating heterogeneous treatment effects (HTE) is critical for identifying how different subgroups respond to interventions, with broad applications in fields such as precision medicine and personalized advertising. Although HTE estimation methods aim to improve accuracy, how to provide explicit subgroup descriptions remains unclear, hindering data interpretation and strategic intervention management. In this paper, we propose CURLS, a novel rule learning method leveraging HTE, which can effectively describe subgroups with significant treatment effects. Specifically, we frame causal rule learning as a discrete optimization problem, finely balancing treatment effect with variance and considering the rule interpretability. We design an iterative procedure based on the minorize-maximization algorithm and solve a submodular lower bound as an approximation for the original. Quantitative experiments and qualitative case studies verify that compared with state-of-the-art methods, CURLS can find subgroups where the estimated and true effects are 16.1% and 13.8% higher and the variance is 12.0% smaller, while maintaining similar or better estimation accuracy and rule interpretability. Code is available at https://osf.io/zwp2k/.
Flood Prediction Using Classical and Quantum Machine Learning Models
Authors: Marek Grzesiak, Param Thakkar
Date: 2024-07-01 00:00:00
Tasks: Management, Quantum Machine Learning

This study investigates the potential of quantum machine learning to improve flood forecasting we focus on daily flood events along Germany's Wupper River in 2023 our approach combines classical machine learning techniques with QML techniques this hybrid model leverages quantum properties like superposition and entanglement to achieve better accuracy and efficiency classical and QML models are compared based on training time accuracy and scalability results show that QML models offer competitive training times and improved prediction accuracy this research signifies a step towards utilizing quantum technologies for climate change adaptation we emphasize collaboration and continuous innovation to implement this model in real-world flood management ultimately enhancing global resilience against floods
Can Small Language Models Learn, Unlearn, and Retain Noise Patterns?
Authors: Nicy Scaria, Silvester John Joseph Kennedy, Deepak Subramani
Date: 2024-07-01 00:00:00
Tasks: In-Context Learning, Transliteration

Small Language Models (SLMs) are generally considered more compact versions of large language models (LLMs). This study investigates the ability of SLMs with parameters between 1 and 3 billion to learn, retain, and subsequently eliminate different types of noise present in the data. Four pre-trained SLMs were utilized for this: Olmo 1B, Qwen1.5 1.8B, Gemma 2B, and Phi2 2.7B. The models were instruction-tuned on noise-free data and tested using in-context examples to determine if they could learn noise through examples. Subsequently, noise patterns were introduced in instruction tuning to evaluate the noise learning, unlearning, and retention capabilities of the models. Olmo, the smallest model, was highly sensitive to noise, quickly adapting to noisy patterns. Phi2 resisted learning character-level and transliteration noise, likely due to its carefully curated, structured, and high-quality pretraining data. Gemma excelled with transliteration noise, likely benefiting from its multilingual pretraining. The findings can be used to develop robust training strategies for SLMs.
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
Authors: Siyi Gu, Minkai Xu, Alexander Powers, Weili Nie, Tomas Geffner, Karsten Kreis, Jure Leskovec, Arash Vahdat, Stefano Ermon
Date: 2024-07-01 00:00:00
Tasks: Avg, Drug Design

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion models, have shown great promise in modeling protein-ligand interactions and generating candidate drugs. However, existing models primarily focus on learning the chemical distribution of all drug candidates, which lacks effective steerability on the chemical quality of model generations. In this paper, we propose a novel and general alignment framework to align pretrained target diffusion models with preferred functional properties, named AliDiff. AliDiff shifts the target-conditioned chemical distribution towards regions with higher binding affinity and structural rationality, specified by user-defined reward functions, via the preference optimization approach. To avoid the overfitting problem in common preference optimization objectives, we further develop an improved Exact Energy Preference Optimization method to yield an exact and efficient alignment of the diffusion models, and provide the closed-form expression for the converged distribution. Empirical studies on the CrossDocked2020 benchmark show that AliDiff can generate molecules with state-of-the-art binding energies with up to -7.07 Avg. Vina Score, while maintaining strong molecular properties. Code is available at https://github.com/MinkaiXu/AliDiff.
Hybrid RAG-empowered Multi-modal LLM for Secure Data Management in Internet of Medical Things: A Diffusion-based Contract Approach
Authors: Cheng Su, Jinbo Wen, Jiawen Kang, Yonghua Wang, Yuanjia Su, Hudan Pan, Zishao Zhong, M. Shamim Hossain
Date: 2024-07-01 00:00:00
Tasks: Deep Reinforcement Learning, Management, Model-based Reinforcement Learning, RAG, Retrieval, Retrieval-augmented Generation

Secure data management and effective data sharing have become paramount in the rapidly evolving healthcare landscape, especially with the growing integration of the Internet of Medical Things (IoMT). The rise of generative artificial intelligence has further elevated Multi-modal Large Language Models (MLLMs) as essential tools for managing and optimizing healthcare data in IoMT. MLLMs can support multi-modal inputs and generate diverse types of content by leveraging large-scale training on vast amounts of multi-modal data. However, critical challenges persist in developing medical MLLMs, including security and freshness issues of healthcare data, affecting the output quality of MLLMs. To this end, in this paper, we propose a hybrid Retrieval-Augmented Generation (RAG)-empowered medical MLLM framework for healthcare data management. This framework leverages a hierarchical cross-chain architecture to facilitate secure data training. Moreover, it enhances the output quality of MLLMs through hybrid RAG, which employs multi-modal metrics to filter various unimodal RAG results and incorporates these retrieval results as additional inputs to MLLMs. Additionally, we employ age of information to indirectly evaluate the data freshness impact of MLLMs and utilize contract theory to incentivize healthcare data holders to share their fresh data, mitigating information asymmetry during data sharing. Finally, we utilize a generative diffusion model-based deep reinforcement learning algorithm to identify the optimal contract for efficient data sharing. Numerical results demonstrate the effectiveness of the proposed schemes, which achieve secure and efficient healthcare data management.
Optimizing PM2.5 Forecasting Accuracy with Hybrid Meta-Heuristic and Machine Learning Models
Authors: Parviz Ghafariasl, Masoomeh Zeinalnezhad, Amir Ahmadishokooh
Date: 2024-07-01 00:00:00

Timely alerts about hazardous air pollutants are crucial for public health. However, existing forecasting models often overlook key factors like baseline parameters and missing data, limiting their accuracy. This study introduces a hybrid approach to address these issues, focusing on forecasting hourly PM2.5 concentrations using Support Vector Regression (SVR). Meta-heuristic algorithms, Grey Wolf Optimization (GWO) and Particle Swarm Optimization (PSO), optimize SVR Hyper-parameters "C" and "Gamma" to enhance prediction accuracy. Evaluation metrics include R-squared (R2), Root Mean Square Error (RMSE), and Mean Absolute Error (MAE). Results show significant improvements with PSO-SVR (R2: 0.9401, RMSE: 0.2390, MAE: 0.1368) and GWO-SVR (R2: 0.9408, RMSE: 0.2376, MAE: 0.1373), indicating robust and accurate models suitable for similar research applications.
How Does Overparameterization Affect Features?
Authors: Ahmet Cagri Duzgun, Samy Jelassi, Yuanzhi Li
Date: 2024-07-01 00:00:00

Overparameterization, the condition where models have more parameters than necessary to fit their training loss, is a crucial factor for the success of deep learning. However, the characteristics of the features learned by overparameterized networks are not well understood. In this work, we explore this question by comparing models with the same architecture but different widths. We first examine the expressivity of the features of these models, and show that the feature space of overparameterized networks cannot be spanned by concatenating many underparameterized features, and vice versa. This reveals that both overparameterized and underparameterized networks acquire some distinctive features. We then evaluate the performance of these models, and find that overparameterized networks outperform underparameterized networks, even when many of the latter are concatenated. We corroborate these findings using a VGG-16 and ResNet18 on CIFAR-10 and a Transformer on the MNLI classification dataset. Finally, we propose a toy setting to explain how overparameterized networks can learn some important features that the underparamaterized networks cannot learn.