pwc-archive/papers-with-abstracts huggingface dataset:
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
Authors: Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Jeff Rasley, Ammar Ahmad Awan, Connor Holmes, Martin Cai, Adam Ghanem, Zhongzhu Zhou, Yuxiong He, Pete Luferenko, Divya Kumar, Jonathan Weyn, Ruixiong Zhang, Sylwester Klocek, Volodymyr Vragov, Mohammed AlQuraishi, Gustaf Ahdritz, Christina Floristean, Cristina Negri, Rao Kotamarthi, Venkatram Vishwanath, Arvind Ramanathan, Sam Foreman, Kyle Hippe, Troy Arcomano, Romit Maulik, Maxim Zvyagin, Alexander Brace, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael Irvin, J. Gregory Pauloski, Logan Ward, Valerie Hayot, Murali Emani, Zhen Xie, Diangen Lin, Maulik Shukla, Ian Foster, James J. Davis, Michael E. Papka, Thomas Brettin, Prasanna Balaprakash, Gina Tourassi, John Gounley, Heidi Hanson, Thomas E Potok, Massimiliano Lupo Pasini, Kate Evans, Dan Lu, Dalton Lunga, Junqi Yin, Sajal Dash, Feiyi Wang, Mallikarjun Shankar, Isaac Lyngaas, Xiao Wang, Guojing Cong, Pei Zhang, Ming Fan, Siyan Liu, Adolfy Hoisie, Shinjae Yoo, Yihui Ren, William Tang, Kyle Felker, Alexey Svyatkovskiy, Hang Liu, Ashwin Aji, Angela Dalton, Michael Schulte, Karl Schulz, Yuntian Deng, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Anima Anandkumar, Rick Stevens
Date: 2023-10-06 00:00:00
Tasks: scientific discovery

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.
A Comprehensive Performance Study of Large Language Models on Novel AI Accelerators
Authors: Murali Emani, Sam Foreman, Varuni Sastry, Zhen Xie, Siddhisanket Raskar, William Arnold, Rajeev Thakur, Venkatram Vishwanath, Michael E. Papka
Date: 2023-10-06 00:00:00
Tasks: scientific discovery

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging problems because of their superior generalization capabilities across domains. The effectiveness of the models and the accuracy of the applications is contingent upon their efficient execution on the underlying hardware infrastructure. Specialized AI accelerator hardware systems have recently become available for accelerating AI applications. However, the comparative performance of these AI accelerators on large language models has not been previously studied. In this paper, we systematically study LLMs on multiple AI accelerators and GPUs and evaluate their performance characteristics for these models. We evaluate these systems with (i) a micro-benchmark using a core transformer block, (ii) a GPT- 2 model, and (iii) an LLM-driven science use case, GenSLM. We present our findings and analyses of the models' performance to better understand the intrinsic capabilities of AI accelerators. Furthermore, our analysis takes into account key factors such as sequence lengths, scaling behavior, sparsity, and sensitivity to gradient accumulation steps.
A Neuro-Symbolic Framework for Answering Graph Pattern Queries in Knowledge Graphs
Authors: Tamara Cucumides, Daniel Daza, Pablo Barceló, Michael Cochez, Floris Geerts, Juan L Reutter, Miguel Romero
Date: 2023-10-06 00:00:00
Tasks: Knowledge Graphs

The challenge of answering graph queries over incomplete knowledge graphs is gaining significant attention in the machine learning community. Neuro-symbolic models have emerged as a promising approach, combining good performance with high interpretability. These models utilize trained architectures to execute atomic queries and integrate modules that mimic symbolic query operators. However, most neuro-symbolic query processors are constrained to tree-like graph pattern queries. These queries admit a bottom-up execution with constant values or anchors at the leaves and the target variable at the root. While expressive, tree-like queries fail to capture critical properties in knowledge graphs, such as the existence of multiple edges between entities or the presence of triangles. We introduce a framework for answering arbitrary graph pattern queries over incomplete knowledge graphs, encompassing both cyclic queries and tree-like queries with existentially quantified leaves. These classes of queries are vital for practical applications but are beyond the scope of most current neuro-symbolic models. Our approach employs an approximation scheme that facilitates acyclic traversals for cyclic patterns, thereby embedding additional symbolic bias into the query execution process. Our experimental evaluation demonstrates that our framework performs competitively on three datasets, effectively handling cyclic queries through our approximation strategy. Additionally, it maintains the performance of existing neuro-symbolic models on anchored tree-like queries and extends their capabilities to queries with existentially quantified variables.
Binary Quantification and Dataset Shift: An Experimental Investigation
Authors: Pablo González, Alejandro Moreo, Fabrizio Sebastiani
Date: 2023-10-06 00:00:00
Tasks: Binary Quantification

Quantification is the supervised learning task that consists of training predictors of the class prevalence values of sets of unlabelled data, and is of special interest when the labelled data on which the predictor has been trained and the unlabelled data are not IID, i.e., suffer from dataset shift. To date, quantification methods have mostly been tested only on a special case of dataset shift, i.e., prior probability shift; the relationship between quantification and other types of dataset shift remains, by and large, unexplored. In this work we carry out an experimental analysis of how current quantification algorithms behave under different types of dataset shift, in order to identify limitations of current approaches and hopefully pave the way for the development of more broadly applicable methods. We do this by proposing a fine-grained taxonomy of types of dataset shift, by establishing protocols for the generation of datasets affected by these types of shift, and by testing existing quantification methods on the datasets thus generated. One finding that results from this investigation is that many existing quantification methods that had been found robust to prior probability shift are not necessarily robust to other types of dataset shift. A second finding is that no existing quantification method seems to be robust enough to dealing with all the types of dataset shift we simulate in our experiments. The code needed to reproduce all our experiments is publicly available at https://github.com/pglez82/quant_datasetshift.
ReLU Strikes Back: Exploiting Activation Sparsity in Large Language Models
Authors: Iman Mirzadeh, Keivan Alizadeh, Sachin Mehta, Carlo C Del Mundo, Oncel Tuzel, Golnoosh Samei, Mohammad Rastegari, Mehrdad Farajtabar
Date: 2023-10-06 00:00:00

Large Language Models (LLMs) with billions of parameters have drastically transformed AI applications. However, their demanding computation during inference has raised significant challenges for deployment on resource-constrained devices. Despite recent trends favoring alternative activation functions such as GELU or SiLU, known for increased computation, this study strongly advocates for reinstating ReLU activation in LLMs. We demonstrate that using the ReLU activation function has a negligible impact on convergence and performance while significantly reducing computation and weight transfer. This reduction is particularly valuable during the memory-bound inference step, where efficiency is paramount. Exploring sparsity patterns in ReLU-based LLMs, we unveil the reutilization of activated neurons for generating new tokens and leveraging these insights, we propose practical strategies to substantially reduce LLM inference computation up to three times, using ReLU activations with minimal performance trade-offs.
Lie Neurons: Adjoint-Equivariant Neural Networks for Semisimple Lie Algebras
Authors: Tzu-Yuan Lin, Minghan Zhu, Maani Ghaffari
Date: 2023-10-06 00:00:00
Tasks: Point Cloud Registration

This paper proposes an equivariant neural network that takes data in any semi-simple Lie algebra as input. The corresponding group acts on the Lie algebra as adjoint operations, making our proposed network adjoint-equivariant. Our framework generalizes the Vector Neurons, a simple $\mathrm{SO}(3)$-equivariant network, from 3-D Euclidean space to Lie algebra spaces, building upon the invariance property of the Killing form. Furthermore, we propose novel Lie bracket layers and geometric channel mixing layers that extend the modeling capacity. Experiments are conducted for the $\mathfrak{so}(3)$, $\mathfrak{sl}(3)$, and $\mathfrak{sp}(4)$ Lie algebras on various tasks, including fitting equivariant and invariant functions, learning system dynamics, point cloud registration, and homography-based shape classification. Our proposed equivariant network shows wide applicability and competitive performance in various domains.
Utilizing Free Clients in Federated Learning for Focused Model Enhancement
Authors: Aditya Narayan Ravi, Ilan Shomorony
Date: 2023-10-06 00:00:00
Tasks: Federated Learning

Federated Learning (FL) is a distributed machine learning approach to learn models on decentralized heterogeneous data, without the need for clients to share their data. Many existing FL approaches assume that all clients have equal importance and construct a global objective based on all clients. We consider a version of FL we call Prioritized FL, where the goal is to learn a weighted mean objective of a subset of clients, designated as priority clients. An important question arises: How do we choose and incentivize well aligned non priority clients to participate in the federation, while discarding misaligned clients? We present FedALIGN (Federated Adaptive Learning with Inclusion of Global Needs) to address this challenge. The algorithm employs a matching strategy that chooses non priority clients based on how similar the models loss is on their data compared to the global data, thereby ensuring the use of non priority client gradients only when it is beneficial for priority clients. This approach ensures mutual benefits as non priority clients are motivated to join when the model performs satisfactorily on their data, and priority clients can utilize their updates and computational resources when their goals align. We present a convergence analysis that quantifies the trade off between client selection and speed of convergence. Our algorithm shows faster convergence and higher test accuracy than baselines for various synthetic and benchmark datasets.
FMM-Head: Enhancing Autoencoder-based ECG anomaly detection with prior knowledge
Authors: Giacomo Verardo, Magnus Boman, Samuel Bruchfeld, Marco Chiesa, Sabine Koch, Gerald Q. Maguire Jr., Dejan Kostic
Date: 2023-10-06 00:00:00
Tasks: Anomaly Detection

Detecting anomalies in electrocardiogram data is crucial to identifying deviations from normal heartbeat patterns and providing timely intervention to at-risk patients. Various AutoEncoder models (AE) have been proposed to tackle the anomaly detection task with ML. However, these models do not consider the specific patterns of ECG leads and are unexplainable black boxes. In contrast, we replace the decoding part of the AE with a reconstruction head (namely, FMM-Head) based on prior knowledge of the ECG shape. Our model consistently achieves higher anomaly detection capabilities than state-of-the-art models, up to 0.31 increase in area under the ROC curve (AUROC), with as little as half the original model size and explainable extracted features. The processing time of our model is four orders of magnitude lower than solving an optimization problem to obtain the same parameters, thus making it suitable for real-time ECG parameters extraction and anomaly detection.
T-Rep: Representation Learning for Time Series using Time-Embeddings
Authors: Archibald Fraikin, Adrien Bennetot, Stéphanie Allassonnière
Date: 2023-10-06 00:00:00
Tasks: Anomaly Detection, Representation Learning, Time Series

Multivariate time series present challenges to standard machine learning techniques, as they are often unlabeled, high dimensional, noisy, and contain missing data. To address this, we propose T-Rep, a self-supervised method to learn time series representations at a timestep granularity. T-Rep learns vector embeddings of time alongside its feature extractor, to extract temporal features such as trend, periodicity, or distribution shifts from the signal. These time-embeddings are leveraged in pretext tasks, to incorporate smooth and fine-grained temporal dependencies in the representations, as well as reinforce robustness to missing data. We evaluate T-Rep on downstream classification, forecasting, and anomaly detection tasks. It is compared to existing self-supervised algorithms for time series, which it outperforms in all three tasks. We test T-Rep in missing data regimes, where it proves more resilient than its counterparts. Finally, we provide latent space visualisation experiments, highlighting the interpretability of the learned representations.
EMOFM: Ensemble MLP mOdel with Feature-based Mixers for Click-Through Rate Prediction
Authors: Yujian Betterest Li, Kai Wu
Date: 2023-10-06 00:00:00
Tasks: Click-Through Rate Prediction

Track one of CTI competition is on click-through rate (CTR) prediction. The dataset contains millions of records and each field-wise feature in a record consists of hashed integers for privacy. For this task, the keys of network-based methods might be type-wise feature extraction and information fusion across different fields. Multi-layer perceptrons (MLPs) are able to extract field feature, but could not efficiently fuse features. Motivated by the natural fusion characteristic of cross attention and the efficiency of transformer-based structures, we propose simple plug-in mixers for field/type-wise feature fusion, and thus construct an field&type-wise ensemble model, namely EMOFM (Ensemble MLP mOdel with Feature-based Mixers). In the experiments, the proposed model is evaluated on the dataset, the optimization process is visualized and ablation studies are explored. It is shown that EMOFM outperforms compared baselines. In the end, we discuss on future work. WARNING: The comparison might not be fair enough since the proposed method is designed for this data in particular while compared methods are not. For example, EMOFM especially takes different types of interactions into consideration while others do not. Anyway, we do hope that the ideas inside our method could help other developers/learners/researchers/thinkers and so on.
Higher-Order DeepTrails: Unified Approach to *Trails
Authors: Tobias Koopmann, Jan Pfister, André Markus, Astrid Carolus, Carolin Wienrich, Andreas Hotho
Date: 2023-10-06 00:00:00

Analyzing, understanding, and describing human behavior is advantageous in different settings, such as web browsing or traffic navigation. Understanding human behavior naturally helps to improve and optimize the underlying infrastructure or user interfaces. Typically, human navigation is represented by sequences of transitions between states. Previous work suggests to use hypotheses, representing different intuitions about the navigation to analyze these transitions. To mathematically grasp this setting, first-order Markov chains are used to capture the behavior, consequently allowing to apply different kinds of graph comparisons, but comes with the inherent drawback of losing information about higher-order dependencies within the sequences. To this end, we propose to analyze entire sequences using autoregressive language models, as they are traditionally used to model higher-order dependencies in sequences. We show that our approach can be easily adapted to model different settings introduced in previous work, namely HypTrails, MixedTrails and even SubTrails, while at the same time bringing unique advantages: 1. Modeling higher-order dependencies between state transitions, while 2. being able to identify short comings in proposed hypotheses, and 3. naturally introducing a unified approach to model all settings. To show the expressiveness of our approach, we evaluate our approach on different synthetic datasets and conclude with an exemplary analysis of a real-world dataset, examining the behavior of users who interact with voice assistants.
Reverse Chain: A Generic-Rule for LLMs to Master Multi-API Planning
Authors: Yinger Zhang, Hui Cai, Xeirui Song, Yicheng Chen, Rui Sun, Jing Zheng
Date: 2023-10-06 00:00:00

While enabling large language models to implement function calling (known as APIs) can greatly enhance the performance of Large Language Models (LLMs), function calling is still a challenging task due to the complicated relations between different APIs, especially in a context-learning setting without fine-tuning. This paper introduces ``Reverse Chain'', a controllable, target-driven approach designed to empower LLMs with the capability to operate external APIs only via prompts. Recognizing that most LLMs have limited tool-use capabilities, Reverse Chain limits LLMs to executing simple tasks, e.g., API Selection and Argument Completion. Furthermore, to manage a controllable multi-function calling, Reverse Chain adopts a generic rule based on a backward reasoning process. This rule determines when to do API selection or Argument completion. To evaluate the multi-tool-use capability of LLMs, we have released a compositional multi-tool task dataset, available at \url{https://anonymous.4open.science/r/reverse-chain-8681}. Extensive numerical experiments validate the remarkable proficiency of Reverse Chain in managing multiple API calls.
Fast Neighborhood Search Heuristics for the Colored Bin Packing Problem
Authors: Renan F. F. da Silva, Yulle G. F. Borges, Rafael C. S. Schouery
Date: 2023-10-06 00:00:00

The Colored Bin Packing Problem (CBPP) is a generalization of the Bin Packing Problem (BPP). The CBPP consists of packing a set of items, each with a weight and a color, in bins of limited capacity, minimizing the number of used bins and satisfying the constraint that two items of the same color cannot be packed side by side in the same bin. In this article, we proposed an adaptation of BPP heuristics and new heuristics for the CBPP. Moreover, we propose a set of fast neighborhood search algorithms for CBPP. These neighborhoods are applied in a meta-heuristic approach based on the Variable Neighborhood Search (VNS) and a matheuristic approach that combines linear programming with the meta-heuristics VNS and Greedy Randomized Adaptive Search (GRASP). The results indicate that our matheuristic is superior to VNS and that both approaches can find near-optimal solutions for a large number of instances, even for those with many items.
On Prediction-Modelers and Decision-Makers: Why Fairness Requires More Than a Fair Prediction Model
Authors: Teresa Scantamburlo, Joachim Baumann, Christoph Heitz
Date: 2023-10-09 00:00:00
Tasks: Decision Making, Fairness, Prediction

An implicit ambiguity in the field of prediction-based decision-making regards the relation between the concepts of prediction and decision. Much of the literature in the field tends to blur the boundaries between the two concepts and often simply speaks of 'fair prediction.' In this paper, we point out that a differentiation of these concepts is helpful when implementing algorithmic fairness. Even if fairness properties are related to the features of the used prediction model, what is more properly called 'fair' or 'unfair' is a decision system, not a prediction model. This is because fairness is about the consequences on human lives, created by a decision, not by a prediction. We clarify the distinction between the concepts of prediction and decision and show the different ways in which these two elements influence the final fairness properties of a prediction-based decision system. In addition to exploring this relationship conceptually and practically, we propose a framework that enables a better understanding and reasoning of the conceptual logic of creating fairness in prediction-based decision-making. In our framework, we specify different roles, namely the 'prediction-modeler' and the 'decision-maker,' and the information required from each of them for being able to implement fairness of the system. Our framework allows for deriving distinct responsibilities for both roles and discussing some insights related to ethical and legal requirements. Our contribution is twofold. First, we shift the focus from abstract algorithmic fairness to context-dependent decision-making, recognizing diverse actors with unique objectives and independent actions. Second, we provide a conceptual framework that can help structure prediction-based decision problems with respect to fairness issues, identify responsibilities, and implement fairness governance mechanisms in real-world scenarios.
ODEFormer: Symbolic Regression of Dynamical Systems with Transformers
Authors: Stéphane d'Ascoli, Sören Becker, Alexander Mathis, Philippe Schwaller, Niki Kilbertus
Date: 2023-10-09 00:00:00
Tasks: regression, Symbolic Regression

We introduce ODEFormer, the first transformer able to infer multidimensional ordinary differential equation (ODE) systems in symbolic form from the observation of a single solution trajectory. We perform extensive evaluations on two datasets: (i) the existing "Strogatz" dataset featuring two-dimensional systems; (ii) ODEBench, a collection of one- to four-dimensional systems that we carefully curated from the literature to provide a more holistic benchmark. ODEFormer consistently outperforms existing methods while displaying substantially improved robustness to noisy and irregularly sampled observations, as well as faster inference. We release our code, model and benchmark dataset publicly.