pwc-archive/papers-with-abstracts huggingface dataset:
CacheGen: KV Cache Compression and Streaming for Fast Large Language Model Serving
Authors: YuHan Liu, Hanchen Li, Yihua Cheng, Siddhant Ray, YuYang Huang, Qizheng Zhang, Kuntai Du, Jiayi Yao, Shan Lu, Ganesh Ananthanarayanan, Michael Maire, Henry Hoffmann, Ari Holtzman, Junchen Jiang
Date: 2023-10-11 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model, Quantization

As large language models (LLMs) take on complex tasks, their inputs are supplemented with longer contexts that incorporate domain knowledge. Yet using long contexts is challenging, as nothing can be generated until the whole context is processed by the LLM. While the context-processing delay can be reduced by reusing the KV cache of a context across different inputs, fetching the KV cache, which contains large tensors, over the network can cause high extra network delays. CacheGen is a fast context-loading module for LLM systems. First, CacheGen uses a custom tensor encoder, leveraging KV cache's distributional properties to encode a KV cache into more compact bitstream representations with negligible decoding overhead, to save bandwidth usage. Second, CacheGen adapts the compression level of different parts of a KV cache to cope with changes in available bandwidth, in order to maintain low context-loading delay and high generation quality. % When available bandwidth drops, CacheGen may raise the compression level for a part of the context or recompute its KV cache on the fly. We test CacheGen on popular LLMs and datasets. Compared to the recent systems that reuse the KV cache, CacheGen reduces the KV cache size by 3.5-4.3x and the total delay in fetching and processing contexts by 3.2-3.7x with negligible impact on the LLM response quality. Our code is at: https://github.com/UChi-JCL/CacheGen.
Are GATs Out of Balance?
Date: 2023-10-11 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Graph Attention

While the expressive power and computational capabilities of graph neural networks (GNNs) have been theoretically studied, their optimization and learning dynamics, in general, remain largely unexplored. Our study undertakes the Graph Attention Network (GAT), a popular GNN architecture in which a node's neighborhood aggregation is weighted by parameterized attention coefficients. We derive a conservation law of GAT gradient flow dynamics, which explains why a high portion of parameters in GATs with standard initialization struggle to change during training. This effect is amplified in deeper GATs, which perform significantly worse than their shallow counterparts. To alleviate this problem, we devise an initialization scheme that balances the GAT network. Our approach i) allows more effective propagation of gradients and in turn enables trainability of deeper networks, and ii) attains a considerable speedup in training and convergence time in comparison to the standard initialization. Our main theorem serves as a stepping stone to studying the learning dynamics of positive homogeneous models with attention mechanisms.
ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
Authors: Bowen Gao, Yinjun Jia, Yuanle Mo, Yuyan Ni, WeiYing Ma, ZhiMing Ma, Yanyan Lan
Date: 2023-10-11 00:00:00
Tasks: Drug Design

Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing geometric features and pretrained representations have demonstrated promising results, they usually treat pockets independent of ligands, neglecting the fundamental interactions between them. However, the limited pocket-ligand complex structures available in the PDB database (less than 100 thousand non-redundant pairs) hampers large-scale pretraining endeavors for interaction modeling. To address this constraint, we propose a novel pocket pretraining approach that leverages knowledge from high-resolution atomic protein structures, assisted by highly effective pretrained small molecule representations. By segmenting protein structures into drug-like fragments and their corresponding pockets, we obtain a reasonable simulation of ligand-receptor interactions, resulting in the generation of over 5 million complexes. Subsequently, the pocket encoder is trained in a contrastive manner to align with the representation of pseudo-ligand furnished by some pretrained small molecule encoders. Our method, named ProFSA, achieves state-of-the-art performance across various tasks, including pocket druggability prediction, pocket matching, and ligand binding affinity prediction. Notably, ProFSA surpasses other pretraining methods by a substantial margin. Moreover, our work opens up a new avenue for mitigating the scarcity of protein-ligand complex data through the utilization of high-quality and diverse protein structure databases.
Bidirectional recurrent imputation and abundance estimation of LULC classes with MODIS multispectral time series and geo-topographic and climatic data
Authors: José Rodríguez-Ortega, Rohaifa Khaldi, Domingo Alcaraz-Segura, Siham Tabik
Date: 2023-10-11 00:00:00
Tasks: Imputation, Time Series

Remotely sensed data are dominated by mixed Land Use and Land Cover (LULC) types. Spectral unmixing (SU) is a key technique that disentangles mixed pixels into constituent LULC types and their abundance fractions. While existing studies on Deep Learning (DL) for SU typically focus on single time-step hyperspectral (HS) or multispectral (MS) data, our work pioneers SU using MODIS MS time series, addressing missing data with end-to-end DL models. Our approach enhances a Long-Short Term Memory (LSTM)-based model by incorporating geographic, topographic (geo-topographic), and climatic ancillary information. Notably, our method eliminates the need for explicit endmember extraction, instead learning the input-output relationship between mixed spectra and LULC abundances through supervised learning. Experimental results demonstrate that integrating spectral-temporal input data with geo-topographic and climatic information significantly improves the estimation of LULC abundances in mixed pixels. To facilitate this study, we curated a novel labeled dataset for Andalusia (Spain) with monthly MODIS multispectral time series at 460m resolution for 2013. Named Andalusia MultiSpectral MultiTemporal Unmixing (Andalusia-MSMTU), this dataset provides pixel-level annotations of LULC abundances along with ancillary information. The dataset (https://zenodo.org/records/7752348) and code (https://github.com/jrodriguezortega/MSMTU) are available to the public.
Using Learnable Physics for Real-Time Exercise Form Recommendations
Authors: Abhishek Jaiswal, Gautam Chauhan, Nisheeth Srivastava
Date: 2023-10-11 00:00:00
Tasks: Form, Recommendation Systems, Specificity

Good posture and form are essential for safe and productive exercising. Even in gym settings, trainers may not be readily available for feedback. Rehabilitation therapies and fitness workouts can thus benefit from recommender systems that provide real-time evaluation. In this paper, we present an algorithmic pipeline that can diagnose problems in exercise techniques and offer corrective recommendations, with high sensitivity and specificity in real-time. We use MediaPipe for pose recognition, count repetitions using peak-prominence detection, and use a learnable physics simulator to track motion evolution for each exercise. A test video is diagnosed based on deviations from the prototypical learned motion using statistical learning. The system is evaluated on six full and upper body exercises. These real-time recommendations, counseled via low-cost equipment like smartphones, will allow exercisers to rectify potential mistakes making self-practice feasible while reducing the risk of workout injuries.
COPlanner: Plan to Roll Out Conservatively but to Explore Optimistically for Model-Based RL
Authors: Xiyao Wang, Ruijie Zheng, Yanchao Sun, Ruonan Jia, Wichayaporn Wongkamjan, Huazhe Xu, Furong Huang
Date: 2023-10-11 00:00:00
Tasks: continuous-control, Continuous Control, Model-based Reinforcement Learning, Model Predictive Control

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose $\texttt{COPlanner}$, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. $\texttt{COPlanner}$ leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, $\texttt{COPlanner}$ can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. $\texttt{COPlanner}$ is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with $\texttt{COPlanner}$.
Improved Membership Inference Attacks Against Language Classification Models
Authors: Shlomit Shachor, Natalia Razinkov, Abigail Goldsteen
Date: 2023-10-11 00:00:00
Tasks: Classification

Artificial intelligence systems are prevalent in everyday life, with use cases in retail, manufacturing, health, and many other fields. With the rise in AI adoption, associated risks have been identified, including privacy risks to the people whose data was used to train models. Assessing the privacy risks of machine learning models is crucial to enabling knowledgeable decisions on whether to use, deploy, or share a model. A common approach to privacy risk assessment is to run one or more known attacks against the model and measure their success rate. We present a novel framework for running membership inference attacks against classification models. Our framework takes advantage of the ensemble method, generating many specialized attack models for different subsets of the data. We show that this approach achieves higher accuracy than either a single attack model or an attack model per class label, both on classical and language classification tasks.
Enhancing Neural Architecture Search with Multiple Hardware Constraints for Deep Learning Model Deployment on Tiny IoT Devices
Authors: Alessio Burrello, Matteo Risso, Beatrice Alessandra Motetti, Enrico Macii, Luca Benini, Daniele Jahier Pagliari
Date: 2023-10-11 00:00:00
Tasks: Neural Architecture Search

The rapid proliferation of computing domains relying on Internet of Things (IoT) devices has created a pressing need for efficient and accurate deep-learning (DL) models that can run on low-power devices. However, traditional DL models tend to be too complex and computationally intensive for typical IoT end-nodes. To address this challenge, Neural Architecture Search (NAS) has emerged as a popular design automation technique for co-optimizing the accuracy and complexity of deep neural networks. Nevertheless, existing NAS techniques require many iterations to produce a network that adheres to specific hardware constraints, such as the maximum memory available on the hardware or the maximum latency allowed by the target application. In this work, we propose a novel approach to incorporate multiple constraints into so-called Differentiable NAS optimization methods, which allows the generation, in a single shot, of a model that respects user-defined constraints on both memory and latency in a time comparable to a single standard training. The proposed approach is evaluated on five IoT-relevant benchmarks, including the MLPerf Tiny suite and Tiny ImageNet, demonstrating that, with a single search, it is possible to reduce memory and latency by 87.4% and 54.2%, respectively (as defined by our targets), while ensuring non-inferior accuracy on state-of-the-art hand-tuned deep neural networks for TinyML.
Generative Modeling on Manifolds Through Mixture of Riemannian Diffusion Processes
Authors: Jaehyeong Jo, Sung Ju Hwang
Date: 2023-10-11 00:00:00
Tasks: Denoising

Learning the distribution of data on Riemannian manifolds is crucial for modeling data from non-Euclidean space, which is required by many applications in diverse scientific fields. Yet, existing generative models on manifolds suffer from expensive divergence computation or rely on approximations of heat kernel. These limitations restrict their applicability to simple geometries and hinder scalability to high dimensions. In this work, we introduce the Riemannian Diffusion Mixture, a principled framework for building a generative diffusion process on manifolds. Instead of following the denoising approach of previous diffusion models, we construct a diffusion process using a mixture of bridge processes derived on general manifolds without requiring heat kernel estimations. We develop a geometric understanding of the mixture process, deriving the drift as a weighted mean of tangent directions to the data points that guides the process toward the data distribution. We further propose a scalable training objective for learning the mixture process that readily applies to general manifolds. Our method achieves superior performance on diverse manifolds with dramatically reduced number of in-training simulation steps for general manifolds.
Bridging the Gap between Newton-Raphson Method and Regularized Policy Iteration
Authors: Zeyang Li, Chuxiong Hu, Yunan Wang, Guojian Zhan, Jie Li, Shengbo Eben Li
Date: 2023-10-11 00:00:00

Regularization is one of the most important techniques in reinforcement learning algorithms. The well-known soft actor-critic algorithm is a special case of regularized policy iteration where the regularizer is chosen as Shannon entropy. Despite some empirical success of regularized policy iteration, its theoretical underpinnings remain unclear. This paper proves that regularized policy iteration is strictly equivalent to the standard Newton-Raphson method in the condition of smoothing out Bellman equation with strongly convex functions. This equivalence lays the foundation of a unified analysis for both global and local convergence behaviors of regularized policy iteration. We prove that regularized policy iteration has global linear convergence with the rate being $\gamma$ (discount factor). Furthermore, this algorithm converges quadratically once it enters a local region around the optimal value. We also show that a modified version of regularized policy iteration, i.e., with finite-step policy evaluation, is equivalent to inexact Newton method where the Newton iteration formula is solved with truncated iterations. We prove that the associated algorithm achieves an asymptotic linear convergence rate of $\gamma^M$ in which $M$ denotes the number of steps carried out in policy evaluation. Our results take a solid step towards a better understanding of the convergence properties of regularized policy iteration algorithms.
Robust Safe Reinforcement Learning under Adversarial Disturbances
Authors: Zeyang Li, Chuxiong Hu, Shengbo Eben Li, Jia Cheng, Yunan Wang
Date: 2023-10-11 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Safe Reinforcement Learning

Safety is a primary concern when applying reinforcement learning to real-world control tasks, especially in the presence of external disturbances. However, existing safe reinforcement learning algorithms rarely account for external disturbances, limiting their applicability and robustness in practice. To address this challenge, this paper proposes a robust safe reinforcement learning framework that tackles worst-case disturbances. First, this paper presents a policy iteration scheme to solve for the robust invariant set, i.e., a subset of the safe set, where persistent safety is only possible for states within. The key idea is to establish a two-player zero-sum game by leveraging the safety value function in Hamilton-Jacobi reachability analysis, in which the protagonist (i.e., control inputs) aims to maintain safety and the adversary (i.e., external disturbances) tries to break down safety. This paper proves that the proposed policy iteration algorithm converges monotonically to the maximal robust invariant set. Second, this paper integrates the proposed policy iteration scheme into a constrained reinforcement learning algorithm that simultaneously synthesizes the robust invariant set and uses it for constrained policy optimization. This algorithm tackles both optimality and safety, i.e., learning a policy that attains high rewards while maintaining safety under worst-case disturbances. Experiments on classic control tasks show that the proposed method achieves zero constraint violation with learned worst-case adversarial disturbances, while other baseline algorithms violate the safety constraints substantially. Our proposed method also attains comparable performance as the baselines even in the absence of the adversary.
State of the Art on Diffusion Models for Visual Computing
Authors: Ryan Po, Wang Yifan, Vladislav Golyanik, Kfir Aberman, Jonathan T. Barron, Amit H. Bermano, Eric Ryan Chan, Tali Dekel, Aleksander Holynski, Angjoo Kanazawa, C. Karen Liu, Lingjie Liu, Ben Mildenhall, Matthias Nießner, Björn Ommer, Christian Theobalt, Peter Wonka, Gordon Wetzstein
Date: 2023-10-11 00:00:00

The field of visual computing is rapidly advancing due to the emergence of generative artificial intelligence (AI), which unlocks unprecedented capabilities for the generation, editing, and reconstruction of images, videos, and 3D scenes. In these domains, diffusion models are the generative AI architecture of choice. Within the last year alone, the literature on diffusion-based tools and applications has seen exponential growth and relevant papers are published across the computer graphics, computer vision, and AI communities with new works appearing daily on arXiv. This rapid growth of the field makes it difficult to keep up with all recent developments. The goal of this state-of-the-art report (STAR) is to introduce the basic mathematical concepts of diffusion models, implementation details and design choices of the popular Stable Diffusion model, as well as overview important aspects of these generative AI tools, including personalization, conditioning, inversion, among others. Moreover, we give a comprehensive overview of the rapidly growing literature on diffusion-based generation and editing, categorized by the type of generated medium, including 2D images, videos, 3D objects, locomotion, and 4D scenes. Finally, we discuss available datasets, metrics, open challenges, and social implications. This STAR provides an intuitive starting point to explore this exciting topic for researchers, artists, and practitioners alike.
Neural networks: deep, shallow, or in between?
Authors: Guergana Petrova, Przemyslaw Wojtaszczyk
Date: 2023-10-11 00:00:00

We give estimates from below for the error of approximation of a compact subset from a Banach space by the outputs of feed-forward neural networks with width W, depth l and Lipschitz activation functions. We show that, modulo logarithmic factors, rates better that entropy numbers' rates are possibly attainable only for neural networks for which the depth l goes to infinity, and that there is no gain if we fix the depth and let the width W go to infinity.
Kernel Cox partially linear regression: building predictive models for cancer patients' survival
Authors: Yaohua Rong, Sihai Dave Zhao, Xia Zheng, Yi Li
Date: 2023-10-11 00:00:00
Tasks: regression

Wide heterogeneity exists in cancer patients' survival, ranging from a few months to several decades. To accurately predict clinical outcomes, it is vital to build an accurate predictive model that relates patients' molecular profiles with patients' survival. With complex relationships between survival and high-dimensional molecular predictors, it is challenging to conduct non-parametric modeling and irrelevant predictors removing simultaneously. In this paper, we build a kernel Cox proportional hazards semi-parametric model and propose a novel regularized garrotized kernel machine (RegGKM) method to fit the model. We use the kernel machine method to describe the complex relationship between survival and predictors, while automatically removing irrelevant parametric and non-parametric predictors through a LASSO penalty. An efficient high-dimensional algorithm is developed for the proposed method. Comparison with other competing methods in simulation shows that the proposed method always has better predictive accuracy. We apply this method to analyze a multiple myeloma dataset and predict patients' death burden based on their gene expressions. Our results can help classify patients into groups with different death risks, facilitating treatment for better clinical outcomes.
SAM-OCTA: Prompting Segment-Anything for OCTA Image Segmentation
Authors: Xinrun Chen, Chengliang Wang, Haojian Ning, Shiying Li, Mei Shen
Date: 2023-10-11 00:00:00
Tasks: Image Segmentation, Segmentation, Semantic Segmentation

Segmenting specific targets or biomarkers is necessary to analyze optical coherence tomography angiography (OCTA) images. Previous methods typically segment all the targets in an OCTA sample, such as retinal vessels (RVs). Although these methods perform well in accuracy and precision, OCTA analyses often focusing local information within the images which has not been fulfilled. In this paper, we propose a method called SAM-OCTA for local segmentation in OCTA images. The method fine-tunes a pre-trained segment anything model (SAM) using low-rank adaptation (LoRA) and utilizes prompt points for local RVs, arteries, and veins segmentation in OCTA. To explore the effect and mechanism of prompt points, we set up global and local segmentation modes with two prompt point generation strategies, namely random selection and special annotation. Considering practical usage, we conducted extended experiments with different model scales and analyzed the model performance before and after fine-tuning besides the general segmentation task. From comprehensive experimental results with the OCTA-500 dataset, our SAM-OCTA method has achieved state-of-the-art performance in common OCTA segmentation tasks related to RV and FAZ, and it also performs accurate segmentation of artery-vein and local vessels. The code is available at https://github.com/ShellRedia/SAM-OCTA-extend.