pwc-archive/papers-with-abstracts huggingface dataset:
Towards Faithful and Robust LLM Specialists for Evidence-Based Question-Answering
Authors: Tobias Schimanski, Jingwei Ni, Mathias Kraus, Elliott Ash, Markus Leippold
Date: 2024-02-13 00:00:00
Tasks: Question Answering

Advances towards more faithful and traceable answers of Large Language Models (LLMs) are crucial for various research and practical endeavors. One avenue in reaching this goal is basing the answers on reliable sources. However, this Evidence-Based QA has proven to work insufficiently with LLMs in terms of citing the correct sources (source quality) and truthfully representing the information within sources (answer attributability). In this work, we systematically investigate how to robustly fine-tune LLMs for better source quality and answer attributability. Specifically, we introduce a data generation pipeline with automated data quality filters, which can synthesize diversified high-quality training and testing data at scale. We further introduce four test sets to benchmark the robustness of fine-tuned specialist models. Extensive evaluation shows that fine-tuning on synthetic data improves performance on both in- and out-of-distribution. Furthermore, we show that data quality, which can be drastically improved by proposed quality filters, matters more than quantity in improving Evidence-Based QA.
World Model on Million-Length Video And Language With Blockwise RingAttention
Authors: Hao liu, Wilson Yan, Matei Zaharia, Pieter Abbeel
Date: 2024-02-13 00:00:00
Tasks: 4k, Video Understanding

Current language models fall short in understanding aspects of the world not easily described in words, and struggle with complex, long-form tasks. Video sequences offer valuable temporal information absent in language and static images, making them attractive for joint modeling with language. Such models could develop a understanding of both human textual knowledge and the physical world, enabling broader AI capabilities for assisting humans. However, learning from millions of tokens of video and language sequences poses challenges due to memory constraints, computational complexity, and limited datasets. To address these challenges, we curate a large dataset of diverse videos and books, utilize the Blockwise RingAttention technique to scalably train on long sequences, and gradually increase context size from 4K to 1M tokens. This paper makes the following contributions: (a) Largest context size neural network: We train one of the largest context size transformers on long video and language sequences, setting new benchmarks in difficult retrieval tasks and long video understanding. (b) Solutions for overcoming vision-language training challenges, including using masked sequence packing for mixing different sequence lengths, loss weighting to balance language and vision, and model-generated QA dataset for long sequence chat. (c) A highly-optimized implementation with RingAttention, Blockwise Transformers, masked sequence packing, and other key features for training on millions-length multimodal sequences. (d) Fully open-sourced a family of 7B parameter models capable of processing long text documents (LWM-Text, LWM-Text-Chat) and videos (LWM, LWM-Chat) of over 1M tokens. This work paves the way for training on massive datasets of long video and language to develop understanding of both human knowledge and the multimodal world, and broader capabilities.
APALU: A Trainable, Adaptive Activation Function for Deep Learning Networks
Authors: Barathi Subramanian, Rathinaraja Jeyaraj, Rakhmonov Akhrorjon Akhmadjon Ugli, Jeonghong Kim
Date: 2024-02-13 00:00:00
Tasks: Anomaly Detection, Deep Learning, image-classification, Image Classification, Knowledge Distillation, Sign Language Recognition

Activation function is a pivotal component of deep learning, facilitating the extraction of intricate data patterns. While classical activation functions like ReLU and its variants are extensively utilized, their static nature and simplicity, despite being advantageous, often limit their effectiveness in specialized tasks. The trainable activation functions also struggle sometimes to adapt to the unique characteristics of the data. Addressing these limitations, we introduce a novel trainable activation function, adaptive piecewise approximated activation linear unit (APALU), to enhance the learning performance of deep learning across a broad range of tasks. It presents a unique set of features that enable it to maintain stability and efficiency in the learning process while adapting to complex data representations. Experiments reveal significant improvements over widely used activation functions for different tasks. In image classification, APALU increases MobileNet and GoogleNet accuracy by 0.37% and 0.04%, respectively, on the CIFAR10 dataset. In anomaly detection, it improves the average area under the curve of One-CLASS Deep SVDD by 0.8% on the MNIST dataset, 1.81% and 1.11% improvements with DifferNet, and knowledge distillation, respectively, on the MVTech dataset. Notably, APALU achieves 100% accuracy on a sign language recognition task with a limited dataset. For regression tasks, APALU enhances the performance of deep neural networks and recurrent neural networks on different datasets. These improvements highlight the robustness and adaptability of APALU across diverse deep-learning applications.
End-to-End Policy Learning of a Statistical Arbitrage Autoencoder Architecture
Authors: Fabian Krause, Jan-Peter Calliess
Date: 2024-02-13 00:00:00

In Statistical Arbitrage (StatArb), classical mean reversion trading strategies typically hinge on asset-pricing or PCA based models to identify the mean of a synthetic asset. Once such a (linear) model is identified, a separate mean reversion strategy is then devised to generate a trading signal. With a view of generalising such an approach and turning it truly data-driven, we study the utility of Autoencoder architectures in StatArb. As a first approach, we employ a standard Autoencoder trained on US stock returns to derive trading strategies based on the Ornstein-Uhlenbeck (OU) process. To further enhance this model, we take a policy-learning approach and embed the Autoencoder network into a neural network representation of a space of portfolio trading policies. This integration outputs portfolio allocations directly and is end-to-end trainable by backpropagation of the risk-adjusted returns of the neural policy. Our findings demonstrate that this innovative end-to-end policy learning approach not only simplifies the strategy development process, but also yields superior gross returns over its competitors illustrating the potential of end-to-end training over classical two-stage approaches.
Causal Discovery under Off-Target Interventions
Authors: Davin Choo, Kirankumar Shiragur, Caroline Uhler
Date: 2024-02-13 00:00:00
Tasks: Causal Discovery

Causal graph discovery is a significant problem with applications across various disciplines. However, with observational data alone, the underlying causal graph can only be recovered up to its Markov equivalence class, and further assumptions or interventions are necessary to narrow down the true graph. This work addresses the causal discovery problem under the setting of stochastic interventions with the natural goal of minimizing the number of interventions performed. We propose the following stochastic intervention model which subsumes existing adaptive noiseless interventions in the literature while capturing scenarios such as fat-hand interventions and CRISPR gene knockouts: any intervention attempt results in an actual intervention on a random subset of vertices, drawn from a distribution dependent on attempted action. Under this model, we study the two fundamental problems in causal discovery of verification and search and provide approximation algorithms with polylogarithmic competitive ratios and provide some preliminary experimental results.
Improving Black-box Robustness with In-Context Rewriting
Authors: Kyle O'Brien, Nathan Ng, Isha Puri, Jorge Mendez, Hamid Palangi, Yoon Kim, Marzyeh Ghassemi, Thomas Hartvigsen
Date: 2024-02-13 00:00:00
Tasks: News Classification, text-classification, Text Classification

Machine learning models for text classification often excel on in-distribution (ID) data but struggle with unseen out-of-distribution (OOD) inputs. Most techniques for improving OOD robustness are not applicable to settings where the model is effectively a black box, such as when the weights are frozen, retraining is costly, or the model is leveraged via an API. Test-time augmentation (TTA) is a simple post-hoc technique for improving robustness that sidesteps black-box constraints by aggregating predictions across multiple augmentations of the test input. TTA has seen limited use in NLP due to the challenge of generating effective natural language augmentations. In this work, we propose LLM-TTA, which uses LLM-generated augmentations as TTA's augmentation function. LLM-TTA outperforms conventional augmentation functions across sentiment, toxicity, and news classification tasks for BERT and T5 models, with BERT's OOD robustness improving by an average of 4.48 percentage points without regressing average ID performance. We explore selectively augmenting inputs based on prediction entropy to reduce the rate of expensive LLM augmentations, allowing us to maintain performance gains while reducing the average number of generated augmentations by 57.74\%. LLM-TTA is agnostic to the task model architecture, does not require OOD labels, and is effective across low and high-resource settings. We share our data, models, and code for reproducibility.
Quantum Computing-Enhanced Algorithm Unveils Novel Inhibitors for KRAS
Authors: Mohammad Ghazi Vakili, Christoph Gorgulla, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Daniil Polykovsky, Krishna M. Padmanabha Das, Jamie Snider, Anna Lyakisheva, Ardalan Hosseini Mansob, Zhong Yao, Lela Bitar, Eugene Radchenko, Xiao Ding, Jinxin Liu, Fanye Meng, Feng Ren, Yudong Cao, Igor Stagljar, Alán Aspuru-Guzik, Alex Zhavoronkov
Date: 2024-02-13 00:00:00
Tasks: Drug Discovery

The discovery of small molecules with therapeutic potential is a long-standing challenge in chemistry and biology. Researchers have increasingly leveraged novel computational techniques to streamline the drug development process to increase hit rates and reduce the costs associated with bringing a drug to market. To this end, we introduce a quantum-classical generative model that seamlessly integrates the computational power of quantum algorithms trained on a 16-qubit IBM quantum computer with the established reliability of classical methods for designing small molecules. Our hybrid generative model was applied to designing new KRAS inhibitors, a crucial target in cancer therapy. We synthesized 15 promising molecules during our investigation and subjected them to experimental testing to assess their ability to engage with the target. Notably, among these candidates, two molecules, ISM061-018-2 and ISM061-22, each featuring unique scaffolds, stood out by demonstrating effective engagement with KRAS. ISM061-018-2 was identified as a broad-spectrum KRAS inhibitor, exhibiting a binding affinity to KRAS-G12D at $1.4 \mu M$. Concurrently, ISM061-22 exhibited specific mutant selectivity, displaying heightened activity against KRAS G12R and Q61H mutants. To our knowledge, this work shows for the first time the use of a quantum-generative model to yield experimentally confirmed biological hits, showcasing the practical potential of quantum-assisted drug discovery to produce viable therapeutics. Moreover, our findings reveal that the efficacy of distribution learning correlates with the number of qubits utilized, underlining the scalability potential of quantum computing resources. Overall, we anticipate our results to be a stepping stone towards developing more advanced quantum generative models in drug discovery.
Confronting Discrimination in Classification: Smote Based on Marginalized Minorities in the Kernel Space for Imbalanced Data
Authors: Lingyun Zhong
Date: 2024-02-13 00:00:00
Tasks: Fraud Detection

Financial fraud detection poses a typical challenge characterized by class imbalance, where instances of fraud are extremely rare but can lead to unpredictable economic losses if misidentified. Precisely classifying these critical minority samples represents a challenging task within the classification. The primary difficulty arises from mainstream classifiers, which often exhibit "implicit discrimination" against minority samples in evaluation metrics, which results in frequent misclassifications, and the key to the problem lies in the overlap of feature spaces between majority and minority samples. To address these challenges, oversampling is a feasible solution, yet current classical oversampling methods often lack the necessary caution in sample selection, exacerbating feature space overlap. In response, we propose a novel classification oversampling approach based on the decision boundary and sample proximity relationships. This method carefully considers the distance between critical samples and the decision hyperplane, as well as the density of surrounding samples, resulting in an adaptive oversampling strategy in the kernel space. Finally, we test the proposed method on a classic financial fraud dataset, and the results show that our proposed method provides an effective and robust solution that can improve the classification accuracy of minorities.
Off-Policy Evaluation in Markov Decision Processes under Weak Distributional Overlap
Authors: Mohammad Mehrabi, Stefan Wager
Date: 2024-02-13 00:00:00
Tasks: Off-policy evaluation

Doubly robust methods hold considerable promise for off-policy evaluation in Markov decision processes (MDPs) under sequential ignorability: They have been shown to converge as $1/\sqrt{T}$ with the horizon $T$, to be statistically efficient in large samples, and to allow for modular implementation where preliminary estimation tasks can be executed using standard reinforcement learning techniques. Existing results, however, make heavy use of a strong distributional overlap assumption whereby the stationary distributions of the target policy and the data-collection policy are within a bounded factor of each other -- and this assumption is typically only credible when the state space of the MDP is bounded. In this paper, we re-visit the task of off-policy evaluation in MDPs under a weaker notion of distributional overlap, and introduce a class of truncated doubly robust (TDR) estimators which we find to perform well in this setting. When the distribution ratio of the target and data-collection policies is square-integrable (but not necessarily bounded), our approach recovers the large-sample behavior previously established under strong distributional overlap. When this ratio is not square-integrable, TDR is still consistent but with a slower-than-$1/\sqrt{T}$; furthermore, this rate of convergence is minimax over a class of MDPs defined only using mixing conditions. We validate our approach numerically and find that, in our experiments, appropriate truncation plays a major role in enabling accurate off-policy evaluation when strong distributional overlap does not hold.
Gaussian Ensemble Belief Propagation for Efficient Inference in High-Dimensional Systems
Authors: Dan MacKinlay, Russell Tsuchida, Dan Pagendam, Petra Kuhnert
Date: 2024-02-13 00:00:00
Tasks: Computational Efficiency, Distributed Computing

Efficient inference in high-dimensional models is a central challenge in machine learning. We introduce the Gaussian Ensemble Belief Propagation (GEnBP) algorithm, which combines the strengths of the Ensemble Kalman Filter (EnKF) and Gaussian Belief Propagation (GaBP) to address this challenge. GEnBP updates ensembles of prior samples into posterior samples by passing low-rank local messages over the edges of a graphical model, enabling efficient handling of high-dimensional states, parameters, and complex, noisy, black-box generation processes. By utilizing local message passing within a graphical model structure, GEnBP effectively manages complex dependency structures and remains computationally efficient even when the ensemble size is much smaller than the inference dimension -- a common scenario in spatiotemporal modeling, image processing, and physical model inversion. We demonstrate that GEnBP can be applied to various problem structures, including data assimilation, system identification, and hierarchical models, and show through experiments that it outperforms existing belief propagation methods in terms of accuracy and computational efficiency. Supporting code is available at https://github.com/danmackinlay/GEnBP
Learning time-dependent PDE via graph neural networks and deep operator network for robust accuracy on irregular grids
Authors: Sung Woong Cho, Jae Yong Lee, Hyung Ju Hwang
Date: 2024-02-13 00:00:00
Tasks: Operator learning

Scientific computing using deep learning has seen significant advancements in recent years. There has been growing interest in models that learn the operator from the parameters of a partial differential equation (PDE) to the corresponding solutions. Deep Operator Network (DeepONet) and Fourier Neural operator, among other models, have been designed with structures suitable for handling functions as inputs and outputs, enabling real-time predictions as surrogate models for solution operators. There has also been significant progress in the research on surrogate models based on graph neural networks (GNNs), specifically targeting the dynamics in time-dependent PDEs. In this paper, we propose GraphDeepONet, an autoregressive model based on GNNs, to effectively adapt DeepONet, which is well-known for successful operator learning. GraphDeepONet exhibits robust accuracy in predicting solutions compared to existing GNN-based PDE solver models. It maintains consistent performance even on irregular grids, leveraging the advantages inherited from DeepONet and enabling predictions on arbitrary grids. Additionally, unlike traditional DeepONet and its variants, GraphDeepONet enables time extrapolation for time-dependent PDE solutions. We also provide theoretical analysis of the universal approximation capability of GraphDeepONet in approximating continuous operators across arbitrary time intervals.
Variational Continual Test-Time Adaptation
Authors: Fan Lyu, Kaile Du, Yuyang Li, Hanyu Zhao, Zhang Zhang, Guangcan Liu, Liang Wang
Date: 2024-02-13 00:00:00
Tasks: Test-time Adaptation, Variational Inference

The prior drift is crucial in Continual Test-Time Adaptation (CTTA) methods that only use unlabeled test data, as it can cause significant error propagation. In this paper, we introduce VCoTTA, a variational Bayesian approach to measure uncertainties in CTTA. At the source stage, we transform a pre-trained deterministic model into a Bayesian Neural Network (BNN) via a variational warm-up strategy, injecting uncertainties into the model. During the testing time, we employ a mean-teacher update strategy using variational inference for the student model and exponential moving average for the teacher model. Our novel approach updates the student model by combining priors from both the source and teacher models. The evidence lower bound is formulated as the cross-entropy between the student and teacher models, along with the Kullback-Leibler (KL) divergence of the prior mixture. Experimental results on three datasets demonstrate the method's effectiveness in mitigating prior drift within the CTTA framework.
Online Structured Prediction with Fenchel--Young Losses and Improved Surrogate Regret for Online Multiclass Classification with Logistic Loss
Authors: Shinsaku Sakaue, Han Bao, Taira Tsuchiya, Taihei Oki
Date: 2024-02-13 00:00:00
Tasks: Classification, Structured Prediction

This paper studies online structured prediction with full-information feedback. For online multiclass classification, Van der Hoeven (2020) established \emph{finite} surrogate regret bounds, which are independent of the time horizon, by introducing an elegant \emph{exploit-the-surrogate-gap} framework. However, this framework has been limited to multiclass classification primarily because it relies on a classification-specific procedure for converting estimated scores to outputs. We extend the exploit-the-surrogate-gap framework to online structured prediction with \emph{Fenchel--Young losses}, a large family of surrogate losses that includes the logistic loss for multiclass classification as a special case, obtaining finite surrogate regret bounds in various structured prediction problems. To this end, we propose and analyze \emph{randomized decoding}, which converts estimated scores to general structured outputs. Moreover, by applying our decoding to online multiclass classification with the logistic loss, we obtain a surrogate regret bound of $O(\| \mathbf{U} \|_\mathrm{F}^2)$, where $\mathbf{U}$ is the best offline linear estimator and $\| \cdot \|_\mathrm{F}$ denotes the Frobenius norm. This bound is tight up to logarithmic factors and improves the previous bound of $O(d\| \mathbf{U} \|_\mathrm{F}^2)$ due to Van der Hoeven (2020) by a factor of $d$, the number of classes.
Randomized Algorithms for Symmetric Nonnegative Matrix Factorization
Authors: Koby Hayashi, Sinan G. Aksoy, Grey Ballard, Haesun Park
Date: 2024-02-13 00:00:00
Tasks: Graph Clustering

Symmetric Nonnegative Matrix Factorization (SymNMF) is a technique in data analysis and machine learning that approximates a symmetric matrix with a product of a nonnegative, low-rank matrix and its transpose. To design faster and more scalable algorithms for SymNMF we develop two randomized algorithms for its computation. The first algorithm uses randomized matrix sketching to compute an initial low-rank approximation to the input matrix and proceeds to rapidly compute a SymNMF of the approximation. The second algorithm uses randomized leverage score sampling to approximately solve constrained least squares problems. Many successful methods for SymNMF rely on (approximately) solving sequences of constrained least squares problems. We prove theoretically that leverage score sampling can approximately solve nonnegative least squares problems to a chosen accuracy with high probability. Additionally, we prove sampling complexity results for previously proposed hybrid sampling techniques which deterministically include high leverage score rows. This hybrid scheme is crucial for obtaining speeds ups in practice. Finally we demonstrate that both methods work well in practice by applying them to graph clustering tasks on large real world data sets. These experiments show that our methods approximately maintain solution quality and achieve significant speed ups for both large dense and large sparse problems.