pwc-archive/papers-with-abstracts huggingface dataset:
Asynchronous SGD on Graphs: a Unified Framework for Asynchronous Decentralized and Federated Optimization
Authors: Mathieu Even, Anastasia Koloskova, Laurent Massoulié
Date: 2023-11-01 00:00:00

Decentralized and asynchronous communications are two popular techniques to speedup communication complexity of distributed machine learning, by respectively removing the dependency over a central orchestrator and the need for synchronization. Yet, combining these two techniques together still remains a challenge. In this paper, we take a step in this direction and introduce Asynchronous SGD on Graphs (AGRAF SGD) -- a general algorithmic framework that covers asynchronous versions of many popular algorithms including SGD, Decentralized SGD, Local SGD, FedBuff, thanks to its relaxed communication and computation assumptions. We provide rates of convergence under much milder assumptions than previous decentralized asynchronous works, while still recovering or even improving over the best know results for all the algorithms covered.
Robust and Conjugate Gaussian Process Regression
Authors: Matias Altamirano, François-Xavier Briol, Jeremias Knoblauch
Date: 2023-11-01 00:00:00
Tasks: Bayesian Inference, Bayesian Optimisation, Form, Gaussian Processes, regression, Uncertainty Quantification

To enable closed form conditioning, a common assumption in Gaussian process (GP) regression is independent and identically distributed Gaussian observation noise. This strong and simplistic assumption is often violated in practice, which leads to unreliable inferences and uncertainty quantification. Unfortunately, existing methods for robustifying GPs break closed-form conditioning, which makes them less attractive to practitioners and significantly more computationally expensive. In this paper, we demonstrate how to perform provably robust and conjugate Gaussian process (RCGP) regression at virtually no additional cost using generalised Bayesian inference. RCGP is particularly versatile as it enables exact conjugate closed form updates in all settings where standard GPs admit them. To demonstrate its strong empirical performance, we deploy RCGP for problems ranging from Bayesian optimisation to sparse variational Gaussian processes.
Optimal Budgeted Rejection Sampling for Generative Models
Authors: Alexandre Verine, Muni Sreenivas Pydi, Benjamin Negrevergne, Yann Chevaleyre
Date: 2023-11-01 00:00:00
Tasks: Diversity, Image Generation

Rejection sampling methods have recently been proposed to improve the performance of discriminator-based generative models. However, these methods are only optimal under an unlimited sampling budget, and are usually applied to a generator trained independently of the rejection procedure. We first propose an Optimal Budgeted Rejection Sampling (OBRS) scheme that is provably optimal with respect to \textit{any} $f$-divergence between the true distribution and the post-rejection distribution, for a given sampling budget. Second, we propose an end-to-end method that incorporates the sampling scheme into the training procedure to further enhance the model's overall performance. Through experiments and supporting theory, we show that the proposed methods are effective in significantly improving the quality and diversity of the samples.
Hessian Eigenvectors and Principal Component Analysis of Neural Network Weight Matrices
Authors: David Haink
Date: 2023-11-01 00:00:00

This study delves into the intricate dynamics of trained deep neural networks and their relationships with network parameters. Trained networks predominantly continue training in a single direction, known as the drift mode. This drift mode can be explained by the quadratic potential model of the loss function, suggesting a slow exponential decay towards the potential minima. We unveil a correlation between Hessian eigenvectors and network weights. This relationship, hinging on the magnitude of eigenvalues, allows us to discern parameter directions within the network. Notably, the significance of these directions relies on two defining attributes: the curvature of their potential wells (indicated by the magnitude of Hessian eigenvalues) and their alignment with the weight vectors. Our exploration extends to the decomposition of weight matrices through singular value decomposition. This approach proves practical in identifying critical directions within the Hessian, considering both their magnitude and curvature. Furthermore, our examination showcases the applicability of principal component analysis in approximating the Hessian, with update parameters emerging as a superior choice over weights for this purpose. Remarkably, our findings unveil a similarity between the largest Hessian eigenvalues of individual layers and the entire network. Notably, higher eigenvalues are concentrated more in deeper layers. Leveraging these insights, we venture into addressing catastrophic forgetting, a challenge of neural networks when learning new tasks while retaining knowledge from previous ones. By applying our discoveries, we formulate an effective strategy to mitigate catastrophic forgetting, offering a possible solution that can be applied to networks of varying scales, including larger architectures.
Form follows Function: Text-to-Text Conditional Graph Generation based on Functional Requirements
Authors: Peter A. Zachares, Vahan Hovhannisyan, Alan Mosca, Yarin Gal
Date: 2023-11-01 00:00:00
Tasks: Form, Graph Generation, Inductive Bias, Language Modeling, Language Modelling, Large Language Model, Text Generation

This work focuses on the novel problem setting of generating graphs conditioned on a description of the graph's functional requirements in a downstream task. We pose the problem as a text-to-text generation problem and focus on the approach of fine-tuning a pretrained large language model (LLM) to generate graphs. We propose an inductive bias which incorporates information about the structure of the graph into the LLM's generation process by incorporating message passing layers into an LLM's architecture. To evaluate our proposed method, we design a novel set of experiments using publicly available and widely studied molecule and knowledge graph data sets. Results suggest our proposed approach generates graphs which more closely meet the requested functional requirements, outperforming baselines developed on similar tasks by a statistically significant margin.
Crop Disease Classification using Support Vector Machines with Green Chromatic Coordinate (GCC) and Attention based feature extraction for IoT based Smart Agricultural Applications
Authors: Shashwat Jha, Vishvaditya Luhach, Gauri Shanker Gupta, Beependra Singh
Date: 2023-11-01 00:00:00
Tasks: Nutrition, Quantization

Crops hold paramount significance as they serve as the primary provider of energy, nutrition, and medicinal benefits for the human population. Plant diseases, however, can negatively affect leaves during agricultural cultivation, resulting in significant losses in crop output and economic value. Therefore, it is crucial for farmers to identify crop diseases. However, this method frequently necessitates hard work, a lot of planning, and in-depth familiarity with plant pathogens. Given these numerous obstacles, it is essential to provide solutions that can easily interface with mobile and IoT devices so that our farmers can guarantee the best possible crop development. Various machine learning (ML) as well as deep learning (DL) algorithms have been created & studied for the identification of plant disease detection, yielding substantial and promising results. This article presents a novel classification method that builds on prior work by utilising attention-based feature extraction, RGB channel-based chromatic analysis, Support Vector Machines (SVM) for improved performance, and the ability to integrate with mobile applications and IoT devices after quantization of information. Several disease classification algorithms were compared with the suggested model, and it was discovered that, in terms of accuracy, Vision Transformer-based feature extraction and additional Green Chromatic Coordinate feature with SVM classification achieved an accuracy of (GCCViT-SVM) - 99.69%, whereas after quantization for IoT device integration achieved an accuracy of - 97.41% while almost reducing 4x in size. Our findings have profound implications because they have the potential to transform how farmers identify crop illnesses with precise and fast information, thereby preserving agricultural output and ensuring food security.
NEO-KD: Knowledge-Distillation-Based Adversarial Training for Robust Multi-Exit Neural Networks
Date: 2023-11-01 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Knowledge Distillation

While multi-exit neural networks are regarded as a promising solution for making efficient inference via early exits, combating adversarial attacks remains a challenging problem. In multi-exit networks, due to the high dependency among different submodels, an adversarial example targeting a specific exit not only degrades the performance of the target exit but also reduces the performance of all other exits concurrently. This makes multi-exit networks highly vulnerable to simple adversarial attacks. In this paper, we propose NEO-KD, a knowledge-distillation-based adversarial training strategy that tackles this fundamental challenge based on two key contributions. NEO-KD first resorts to neighbor knowledge distillation to guide the output of the adversarial examples to tend to the ensemble outputs of neighbor exits of clean data. NEO-KD also employs exit-wise orthogonal knowledge distillation for reducing adversarial transferability across different submodels. The result is a significantly improved robustness against adversarial attacks. Experimental results on various datasets/models show that our method achieves the best adversarial accuracy with reduced computation budgets, compared to the baselines relying on existing adversarial training or knowledge distillation techniques for multi-exit networks.
Efficient Human-AI Coordination via Preparatory Language-based Convention
Authors: Cong Guan, Lichao Zhang, Chunpeng Fan, Yichen Li, Feng Chen, Lihe Li, Yunjia Tian, Lei Yuan, Yang Yu
Date: 2023-11-01 00:00:00
Tasks: Language Modelling, Large Language Model

Developing intelligent agents capable of seamless coordination with humans is a critical step towards achieving artificial general intelligence. Existing methods for human-AI coordination typically train an agent to coordinate with a diverse set of policies or with human models fitted from real human data. However, the massively diverse styles of human behavior present obstacles for AI systems with constrained capacity, while high quality human data may not be readily available in real-world scenarios. In this study, we observe that prior to coordination, humans engage in communication to establish conventions that specify individual roles and actions, making their coordination proceed in an orderly manner. Building upon this observation, we propose employing the large language model (LLM) to develop an action plan (or equivalently, a convention) that effectively guides both human and AI. By inputting task requirements, human preferences, the number of agents, and other pertinent information into the LLM, it can generate a comprehensive convention that facilitates a clear understanding of tasks and responsibilities for all parties involved. Furthermore, we demonstrate that decomposing the convention formulation problem into sub-problems with multiple new sessions being sequentially employed and human feedback, will yield a more efficient coordination convention. Experimental evaluations conducted in the Overcooked-AI environment, utilizing a human proxy model, highlight the superior performance of our proposed method compared to existing learning-based approaches. When coordinating with real humans, our method achieves better alignment with human preferences and an average performance improvement of 15% compared to the state-of-the-art.
Uncertainty quantification and out-of-distribution detection using surjective normalizing flows
Authors: Simon Dirmeier, Ye Hong, Yanan Xin, Fernando Perez-Cruz
Date: 2023-11-01 00:00:00
Tasks: Out-of-Distribution Detection, Uncertainty Quantification

Reliable quantification of epistemic and aleatoric uncertainty is of crucial importance in applications where models are trained in one environment but applied to multiple different environments, often seen in real-world applications for example, in climate science or mobility analysis. We propose a simple approach using surjective normalizing flows to identify out-of-distribution data sets in deep neural network models that can be computed in a single forward pass. The method builds on recent developments in deep uncertainty quantification and generative modeling with normalizing flows. We apply our method to a synthetic data set that has been simulated using a mechanistic model from the mobility literature and several data sets simulated from interventional distributions induced by soft and atomic interventions on that model, and demonstrate that our method can reliably discern out-of-distribution data from in-distribution data. We compare the surjective flow model to a Dirichlet process mixture model and a bijective flow and find that the surjections are a crucial component to reliably distinguish in-distribution from out-of-distribution data.
Performance Optimization of Deep Learning Sparse Matrix Kernels on Intel Max Series GPU
Authors: Mohammad Zubair, Christoph Bauinger
Date: 2023-11-01 00:00:00
Tasks: GPU

In this paper, we focus on three sparse matrix operations that are relevant for machine learning applications, namely, the sparse-dense matrix multiplication (SPMM), the sampled dense-dense matrix multiplication (SDDMM), and the composition of the SDDMM with SPMM, also termed as FusedMM. We develop optimized implementations for SPMM, SDDMM, and FusedMM operations utilizing Intel oneAPI's Explicit SIMD (ESIMD) SYCL extension API. In contrast to CUDA or SYCL, the ESIMD API enables the writing of explicitly vectorized kernel code. Sparse matrix algorithms implemented with the ESIMD API achieved performance close to the peak of the targeted Intel Data Center GPU. We compare our performance results to Intel's oneMKL library on Intel GPUs and to a recent CUDA implementation for the sparse matrix operations on NVIDIA's V100 GPU and demonstrate that our implementations for sparse matrix operations outperform either.
Adversarially Robust Distributed Count Tracking via Partial Differential Privacy
Date: 2023-11-01 00:00:00
Proceeding: NeurIPS 2023 11

We study the distributed tracking model, also known as distributed functional monitoring. This model involves $k$ sites each receiving a stream of items and communicating with the central server. The server's task is to track a function of all items received thus far continuously, with minimum communication cost. For count tracking, it is known that there is a $\sqrt{k}$ gap in communication between deterministic and randomized algorithms. However, existing randomized algorithms assume an "oblivious adversary" who constructs the entire input streams before the algorithm starts. Here we consider adaptive adversaries who can choose new items based on previous answers from the algorithm. Deterministic algorithms are trivially robust to adaptive adversaries, while randomized ones may not. Therefore, we investigate whether the $\sqrt{k}$ advantage of randomized algorithms is from randomness itself or the oblivious adversary assumption. We provide an affirmative answer to this question by giving a robust algorithm with optimal communication. Existing robustification techniques do not yield optimal bounds due to the inherent challenges of the distributed nature of the problem. To address this, we extend the differential privacy framework by introducing "partial differential privacy" and proving a new generalization theorem. This theorem may have broader applications beyond robust count tracking, making it of independent interest.
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture
Authors: Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M. Brabson, Abhishek Das, Zachary Ulissi, Matt Uyttendaele, Andrew J. Medford, David S. Sholl
Date: 2023-11-01 00:00:00

New methods for carbon dioxide removal are urgently needed to combat global climate change. Direct air capture (DAC) is an emerging technology to capture carbon dioxide directly from ambient air. Metal-organic frameworks (MOFs) have been widely studied as potentially customizable adsorbents for DAC. However, discovering promising MOF sorbents for DAC is challenging because of the vast chemical space to explore and the need to understand materials as functions of humidity and temperature. We explore a computational approach benefiting from recent innovations in machine learning (ML) and present a dataset named Open DAC 2023 (ODAC23) consisting of more than 38M density functional theory (DFT) calculations on more than 8,400 MOF materials containing adsorbed $CO_2$ and/or $H_2O$. ODAC23 is by far the largest dataset of MOF adsorption calculations at the DFT level of accuracy currently available. In addition to probing properties of adsorbed molecules, the dataset is a rich source of information on structural relaxation of MOFs, which will be useful in many contexts beyond specific applications for DAC. A large number of MOFs with promising properties for DAC are identified directly in ODAC23. We also trained state-of-the-art ML models on this dataset to approximate calculations at the DFT level. This open-source dataset and our initial ML models will provide an important baseline for future efforts to identify MOFs for a wide range of applications, including DAC.
Latent Space Inference For Spatial Transcriptomics
Authors: J. Ding, S. N. Zaman, P. Y. Chen, D. Wang
Date: 2023-11-01 00:00:00

In order to understand the complexities of cellular biology, researchers are interested in two important metrics: the genetic expression information of cells and their spatial coordinates within a tissue sample. However, state-of-the art methods, namely single-cell RNA sequencing and image based spatial transcriptomics can only recover a subset of this information, either full genetic expression with loss of spatial information, or spatial information with loss of resolution in sequencing data. In this project, we investigate a probabilistic machine learning method to obtain the full genetic expression information for tissues samples while also preserving their spatial coordinates. This is done through mapping both datasets to a joint latent space representation with the use of variational machine learning methods. From here, the full genetic and spatial information can be decoded and to give us greater insights on the understanding of cellular processes and pathways.
Multi-task Representation Learning for Pure Exploration in Bilinear Bandits
Date: 2023-11-01 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Experimental Design, Representation Learning

We study multi-task representation learning for the problem of pure exploration in bilinear bandits. In bilinear bandits, an action takes the form of a pair of arms from two different entity types and the reward is a bilinear function of the known feature vectors of the arms. In the \textit{multi-task bilinear bandit problem}, we aim to find optimal actions for multiple tasks that share a common low-dimensional linear representation. The objective is to leverage this characteristic to expedite the process of identifying the best pair of arms for all tasks. We propose the algorithm GOBLIN that uses an experimental design approach to optimize sample allocations for learning the global representation as well as minimize the number of samples needed to identify the optimal pair of arms in individual tasks. To the best of our knowledge, this is the first study to give sample complexity analysis for pure exploration in bilinear bandits with shared representation. Our results demonstrate that by learning the shared representation across tasks, we achieve significantly improved sample complexity compared to the traditional approach of solving tasks independently.
Semantic Hearing: Programming Acoustic Scenes with Binaural Hearables
Authors: Bandhav Veluri, Malek Itani, Justin Chan, Takuya Yoshioka, Shyamnath Gollakota
Date: 2023-11-01 00:00:00
Tasks: Target Sound Extraction

Imagine being able to listen to the birds chirping in a park without hearing the chatter from other hikers, or being able to block out traffic noise on a busy street while still being able to hear emergency sirens and car honks. We introduce semantic hearing, a novel capability for hearable devices that enables them to, in real-time, focus on, or ignore, specific sounds from real-world environments, while also preserving the spatial cues. To achieve this, we make two technical contributions: 1) we present the first neural network that can achieve binaural target sound extraction in the presence of interfering sounds and background noise, and 2) we design a training methodology that allows our system to generalize to real-world use. Results show that our system can operate with 20 sound classes and that our transformer-based network has a runtime of 6.56 ms on a connected smartphone. In-the-wild evaluation with participants in previously unseen indoor and outdoor scenarios shows that our proof-of-concept system can extract the target sounds and generalize to preserve the spatial cues in its binaural output. Project page with code: https://semantichearing.cs.washington.edu
Data Augmentation for Code Translation with Comparable Corpora and Multiple References
Authors: Yiqing Xie, Atharva Naik, Daniel Fried, Carolyn Rose
Date: 2023-11-01 00:00:00
Tasks: Code Generation, Code Translation, Data Augmentation, Translation

One major challenge of translating code between programming languages is that parallel training data is often limited. To overcome this challenge, we present two data augmentation techniques, one that builds comparable corpora (i.e., code pairs with similar functionality), and another that augments existing parallel data with multiple reference translations. Specifically, we build and analyze multiple types of comparable corpora, including programs generated from natural language documentation using a code generation model. Furthermore, to reduce overfitting to a single reference translation, we automatically generate additional translation references for available parallel data and filter the translations by unit tests, which increases variation in target translations. Experiments show that our data augmentation techniques significantly improve CodeT5 for translation between Java, Python, and C++ by an average of 7.5% Computational Accuracy (CA@1), which verifies the correctness of translations by execution. The code is available at https://github.com/Veronicium/CMTrans.