pwc-archive/papers-with-abstracts huggingface dataset:
Private PAC Learning May be Harder than Online Learning
Authors: Mark Bun, Aloni Cohen, Rathin Desai
Date: 2024-02-16 00:00:00
Tasks: Computational Efficiency, PAC learning

We continue the study of the computational complexity of differentially private PAC learning and how it is situated within the foundations of machine learning. A recent line of work uncovered a qualitative equivalence between the private PAC model and Littlestone's mistake-bounded model of online learning, in particular, showing that any concept class of Littlestone dimension $d$ can be privately PAC learned using $\mathrm{poly}(d)$ samples. This raises the natural question of whether there might be a generic conversion from online learners to private PAC learners that also preserves computational efficiency. We give a negative answer to this question under reasonable cryptographic assumptions (roughly, those from which it is possible to build indistinguishability obfuscation for all circuits). We exhibit a concept class that admits an online learner running in polynomial time with a polynomial mistake bound, but for which there is no computationally-efficient differentially private PAC learner. Our construction and analysis strengthens and generalizes that of Bun and Zhandry (TCC 2016-A), who established such a separation between private and non-private PAC learner.
Dynamic nowcast of the New Zealand greenhouse gas inventory
Authors: Malcolm Jones, Hannah Chorley, Flynn Owen, Tamsyn Hilder, Holly Trowland, Paul Bracewell
Date: 2024-02-16 00:00:00

As efforts to mitigate the effects of climate change grow, reliable and thorough reporting of greenhouse gas emissions are essential for measuring progress towards international and domestic emissions reductions targets. New Zealand's national emissions inventories are currently reported between 15 to 27 months out-of-date. We present a machine learning approach to nowcast (dynamically estimate) national greenhouse gas emissions in New Zealand in advance of the national emissions inventory's release, with just a two month latency due to current data availability. Key findings include an estimated 0.2% decrease in national gross emissions since 2020 (as at July 2022). Our study highlights the predictive power of a dynamic view of emissions intensive activities. This methodology is a proof of concept that a machine learning approach can make sub-annual estimates of national greenhouse gas emissions by sector with a relatively low error that could be of value for policy makers.
Toward Learning Latent-Variable Representations of Microstructures by Optimizing in Spatial Statistics Space
Authors: Sayed Sajad Hashemi, Michael Guerzhoy, Noah H. Paulson
Date: 2024-02-16 00:00:00

In Materials Science, material development involves evaluating and optimizing the internal structures of the material, generically referred to as microstructures. Microstructures structure is stochastic, analogously to image textures. A particular microstructure can be well characterized by its spatial statistics, analogously to image texture being characterized by the response to a Fourier-like filter bank. Material design would benefit from low-dimensional representation of microstructures Paulson et al. (2017). In this work, we train a Variational Autoencoders (VAE) to produce reconstructions of textures that preserve the spatial statistics of the original texture, while not necessarily reconstructing the same image in data space. We accomplish this by adding a differentiable term to the cost function in order to minimize the distance between the original and the reconstruction in spatial statistics space. Our experiments indicate that it is possible to train a VAE that minimizes the distance in spatial statistics space between the original and the reconstruction of synthetic images. In future work, we will apply the same techniques to microstructures, with the goal of obtaining low-dimensional representations of material microstructures.
Physics-based material parameters extraction from perovskite experiments via Bayesian optimization
Authors: Hualin Zhan, Viqar Ahmad, Azul Mayon, Grace Tabi, Anh Dinh Bui, Zhuofeng Li, Daniel Walter, Hieu Nguyen, Klaus Weber, Thomas White, Kylie Catchpole
Date: 2024-02-16 00:00:00
Tasks: Bayesian Optimization

The ability to extract material parameters of perovskite from quantitative experimental analysis is essential for rational design of photovoltaic and optoelectronic applications. However, the difficulty of this analysis increases significantly with the complexity of the theoretical model and the number of material parameters for perovskite. Here we use Bayesian optimization to develop an analysis platform that can extract up to 8 fundamental material parameters of an organometallic perovskite semiconductor from a transient photoluminescence experiment, based on a complex full physics model that includes drift-diffusion of carriers and dynamic defect occupation. An example study of thermal degradation reveals that the carrier mobility and trap-assisted recombination coefficient are reduced noticeably, while the defect energy level remains nearly unchanged. The reduced carrier mobility can dominate the overall effect on thermal degradation of perovskite solar cells by reducing the fill factor, despite the opposite effect of the reduced trap-assisted recombination coefficient on increasing the fill factor. In future, this platform can be conveniently applied to other experiments or to combinations of experiments, accelerating materials discovery and optimization of semiconductor materials for photovoltaics and other applications.
Towards Financially Inclusive Credit Products Through Financial Time Series Clustering
Authors: Tristan Bester, Benjamin Rosman
Date: 2024-02-16 00:00:00
Tasks: Clustering, Time Series, Time Series Classification, Time Series Clustering

Financial inclusion ensures that individuals have access to financial products and services that meet their needs. As a key contributing factor to economic growth and investment opportunity, financial inclusion increases consumer spending and consequently business development. It has been shown that institutions are more profitable when they provide marginalised social groups access to financial services. Customer segmentation based on consumer transaction data is a well-known strategy used to promote financial inclusion. While the required data is available to modern institutions, the challenge remains that segment annotations are usually difficult and/or expensive to obtain. This prevents the usage of time series classification models for customer segmentation based on domain expert knowledge. As a result, clustering is an attractive alternative to partition customers into homogeneous groups based on the spending behaviour encoded within their transaction data. In this paper, we present a solution to one of the key challenges preventing modern financial institutions from providing financially inclusive credit, savings and insurance products: the inability to understand consumer financial behaviour, and hence risk, without the introduction of restrictive conventional credit scoring techniques. We present a novel time series clustering algorithm that allows institutions to understand the financial behaviour of their customers. This enables unique product offerings to be provided based on the needs of the customer, without reliance on restrictive credit practices.
wmh_seg: Transformer based U-Net for Robust and Automatic White Matter Hyperintensity Segmentation across 1.5T, 3T and 7T
Authors: Jinghang Li, Tales Santini, Yuanzhe Huang, Joseph M. Mettenburg, Tamer S. Ibrahima, Howard J. Aizensteina, Minjie Wu
Date: 2024-02-20 00:00:00
Tasks: Diversity, Lesion Segmentation, Segmentation

White matter hyperintensity (WMH) remains the top imaging biomarker for neurodegenerative diseases. Robust and accurate segmentation of WMH holds paramount significance for neuroimaging studies. The growing shift from 3T to 7T MRI necessitates robust tools for harmonized segmentation across field strengths and artifacts. Recent deep learning models exhibit promise in WMH segmentation but still face challenges, including diverse training data representation and limited analysis of MRI artifacts' impact. To address these, we introduce wmh_seg, a novel deep learning model leveraging a transformer-based encoder from SegFormer. wmh_seg is trained on an unmatched dataset, including 1.5T, 3T, and 7T FLAIR images from various sources, alongside with artificially added MR artifacts. Our approach bridges gaps in training diversity and artifact analysis. Our model demonstrated stable performance across magnetic field strengths, scanner manufacturers, and common MR imaging artifacts. Despite the unique inhomogeneity artifacts on ultra-high field MR images, our model still offers robust and stable segmentation on 7T FLAIR images. Our model, to date, is the first that offers quality white matter lesion segmentation on 7T FLAIR images.
Visual Reasoning in Object-Centric Deep Neural Networks: A Comparative Cognition Approach
Authors: Guillermo Puebla, Jeffrey S. Bowers
Date: 2024-02-20 00:00:00
Tasks: Object, Relational Reasoning, Representation Learning, Visual Reasoning

Achieving visual reasoning is a long-term goal of artificial intelligence. In the last decade, several studies have applied deep neural networks (DNNs) to the task of learning visual relations from images, with modest results in terms of generalization of the relations learned. However, in recent years, object-centric representation learning has been put forward as a way to achieve visual reasoning within the deep learning framework. Object-centric models attempt to model input scenes as compositions of objects and relations between them. To this end, these models use several kinds of attention mechanisms to segregate the individual objects in a scene from the background and from other objects. In this work we tested relation learning and generalization in several object-centric models, as well as a ResNet-50 baseline. In contrast to previous research, which has focused heavily in the same-different task in order to asses relational reasoning in DNNs, we use a set of tasks -- with varying degrees of difficulty -- derived from the comparative cognition literature. Our results show that object-centric models are able to segregate the different objects in a scene, even in many out-of-distribution cases. In our simpler tasks, this improves their capacity to learn and generalize visual relations in comparison to the ResNet-50 baseline. However, object-centric models still struggle in our more difficult tasks and conditions. We conclude that abstract visual reasoning remains an open challenge for DNNs, including object-centric models.
CounterCurate: Enhancing Physical and Semantic Visio-Linguistic Compositional Reasoning via Counterfactual Examples
Authors: Jianrui Zhang, Mu Cai, Tengyang Xie, Yong Jae Lee
Date: 2024-02-20 00:00:00
Tasks: counterfactual, Data Augmentation, Image Generation, Text Generation

We propose CounterCurate, a framework to comprehensively improve the visio-linguistic compositional reasoning capability for both contrastive and generative multimodal models. In particular, we identify two critical under-explored problems: the neglect of the physically grounded reasoning (counting and position understanding) and the potential of using highly capable text and image generation models for semantic counterfactual fine-tuning. Our work pioneers an approach that addresses these gaps. We first spotlight the near-chance performance of multimodal models like CLIP and LLaVA in physically grounded compositional reasoning. We then apply simple data augmentation using grounded image generation model GLIGEN to generate fine-tuning data, resulting in significant performance improvements: +33% and +37% for CLIP and LLaVA, respectively, on our newly curated Flickr30k-Positions benchmark. Moreover, we exploit the capabilities of high-performing text generation and image generation models, specifically GPT-4V and DALLE-3, to curate challenging semantic counterfactuals, thereby further enhancing compositional reasoning capabilities on benchmarks such as SugarCrepe, where CounterCurate outperforms GPT-4V. To facilitate future research, we release our code, dataset, benchmark, and checkpoints at https://countercurate.github.io.
CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning
Authors: Ulrik Friis-Jensen, Frederik L. Johansen, Andy S. Anker, Erik B. Dam, Kirsten M. Ø. Jensen, Raghavendra Selvan
Date: 2024-02-20 00:00:00
Tasks: Atomic number classification, Benchmarking, Crystal system classification, Distance regression, ND regression, Neutron PDF regression, Position regression, Property Prediction, SANS regression, SAXS regression, Space group classification, X-ray PDF regression, XRD regression

Advances in graph machine learning (ML) have been driven by applications in chemistry as graphs have remained the most expressive representations of molecules. While early graph ML methods focused primarily on small organic molecules, recently, the scope of graph ML has expanded to include inorganic materials. Modelling the periodicity and symmetry of inorganic crystalline materials poses unique challenges, which existing graph ML methods are unable to address. Moving to inorganic nanomaterials increases complexity as the scale of number of nodes within each graph can be broad ($10$ to $10^5$). The bulk of existing graph ML focuses on characterising molecules and materials by predicting target properties with graphs as input. However, the most exciting applications of graph ML will be in their generative capabilities, which is currently not at par with other domains such as images or text. We invite the graph ML community to address these open challenges by presenting two new chemically-informed large-scale inorganic (CHILI) nanomaterials datasets: A medium-scale dataset (with overall >6M nodes, >49M edges) of mono-metallic oxide nanomaterials generated from 12 selected crystal types (CHILI-3K) and a large-scale dataset (with overall >183M nodes, >1.2B edges) of nanomaterials generated from experimentally determined crystal structures (CHILI-100K). We define 11 property prediction tasks and 6 structure prediction tasks, which are of special interest for nanomaterial research. We benchmark the performance of a wide array of baseline methods and use these benchmarking results to highlight areas which need future work. To the best of our knowledge, CHILI-3K and CHILI-100K are the first open-source nanomaterial datasets of this scale -- both on the individual graph level and of the dataset as a whole -- and the only nanomaterials datasets with high structural and elemental diversity.
Performance of using Mel-Frequency Cepstrum Based Features in Nonlinear Classifiers for Phonocardiography Recordings
Authors: Ibrahim Ozkan, Atila Yilmaz
Date: 2024-02-19 00:00:00
Tasks: Classification, Diagnostic

Cardiovascular system diseases can be identified by using a specialized diagnostic process utilizing a digital stethoscope. Digital stethoscopes provide phonocardiography (PCG) recordings for further inspection, besides filtering and amplification of heart sounds. In this paper, a framework that is useful to develop feature extraction and classification of PCG recordings is presented. This framework is built upon a previously proposed segmentation algorithm that processes a feature vector produced by the agglutinate application of Mel-frequency cepstrum and discrete wavelet transform (DWT). The performance of the segmentation algorithm is also tested on a new data set and compared to the previously reported results. After identifying the fundamental heart sounds and segmenting the PCG recordings, five principal features are extracted from the time domain signal and Mel-Frequency cepstral coefficients (MFCC) of each cardiac cycle. Classification outcomes are reported for three nonlinear models: k nearest neighbor (k-NN), support vector machine (SVM), and multilayer perceptrons (MLP) classifiers in comparison with a linear approach, namely Mahalanobis distance linear classifier. The results underline that although neural networks and linear classifier show compatible performance in basic classification problems, with the increase in the nonlinearity of the classification problem their performance significantly vary.
TofuEval: Evaluating Hallucinations of LLMs on Topic-Focused Dialogue Summarization
Authors: Liyan Tang, Igor Shalyminov, Amy Wing-mei Wong, Jon Burnsky, Jake W. Vincent, Yu'an Yang, Siffi Singh, Song Feng, Hwanjun Song, Hang Su, Lijia Sun, Yi Zhang, Saab Mansour, Kathleen McKeown
Date: 2024-02-20 00:00:00
Tasks: Hallucination, News Summarization, Sentence, Text Summarization

Single document news summarization has seen substantial progress on faithfulness in recent years, driven by research on the evaluation of factual consistency, or hallucinations. We ask whether these advances carry over to other text summarization domains. We propose a new evaluation benchmark on topic-focused dialogue summarization, generated by LLMs of varying sizes. We provide binary sentence-level human annotations of the factual consistency of these summaries along with detailed explanations of factually inconsistent sentences. Our analysis shows that existing LLMs hallucinate significant amounts of factual errors in the dialogue domain, regardless of the model's size. On the other hand, when LLMs, including GPT-4, serve as binary factual evaluators, they perform poorly and can be outperformed by prevailing state-of-the-art specialized factuality evaluation metrics. Finally, we conducted an analysis of hallucination types with a curated error taxonomy. We find that there are diverse errors and error distributions in model-generated summaries and that non-LLM based metrics can capture all error types better than LLM-based evaluators.
Federated Causal Discovery from Heterogeneous Data
Authors: Loka Li, Ignavier Ng, Gongxu Luo, Biwei Huang, Guangyi Chen, Tongliang Liu, Bin Gu, Kun Zhang
Date: 2024-02-20 00:00:00
Tasks: Causal Discovery

Conventional causal discovery methods rely on centralized data, which is inconsistent with the decentralized nature of data in many real-world situations. This discrepancy has motivated the development of federated causal discovery (FCD) approaches. However, existing FCD methods may be limited by their potentially restrictive assumptions of identifiable functional causal models or homogeneous data distributions, narrowing their applicability in diverse scenarios. In this paper, we propose a novel FCD method attempting to accommodate arbitrary causal models and heterogeneous data. We first utilize a surrogate variable corresponding to the client index to account for the data heterogeneity across different clients. We then develop a federated conditional independence test (FCIT) for causal skeleton discovery and establish a federated independent change principle (FICP) to determine causal directions. These approaches involve constructing summary statistics as a proxy of the raw data to protect data privacy. Owing to the nonparametric properties, FCIT and FICP make no assumption about particular functional forms, thereby facilitating the handling of arbitrary causal models. We conduct extensive experiments on synthetic and real datasets to show the efficacy of our method. The code is available at https://github.com/lokali/FedCDH.git.
Smaug: Fixing Failure Modes of Preference Optimisation with DPO-Positive
Authors: Arka Pal, Deep Karkhanis, Samuel Dooley, Manley Roberts, Siddartha Naidu, Colin White
Date: 2024-02-20 00:00:00

Direct Preference Optimisation (DPO) is effective at significantly improving the performance of large language models (LLMs) on downstream tasks such as reasoning, summarisation, and alignment. Using pairs of preferred and dispreferred data, DPO models the relative probability of picking one response over another. In this work, first we show theoretically that the standard DPO loss can lead to a reduction of the model's likelihood of the preferred examples, as long as the relative probability between the preferred and dispreferred classes increases. We then show empirically that this phenomenon occurs when fine-tuning LLMs on common datasets, especially datasets in which the edit distance between pairs of completions is low. Using these insights, we design DPO-Positive (DPOP), a new loss function and training procedure which avoids this failure mode. Surprisingly, we find that DPOP outperforms DPO and other fine-tuning procedures across a wide variety of datasets and downstream tasks, including datasets with high edit distances between completions. Furthermore, we find that the DPOP-tuned model outperforms the DPO-tuned model (all else equal) on benchmarks independent of the fine-tuning data, such as MT-Bench. Finally, using DPOP, we create and open-source Smaug-34B and Smaug-72B, with the latter becoming the first open-source LLM to surpass an average accuracy of 80% on the HuggingFace Open LLM Leaderboard.
NeRF Solves Undersampled MRI Reconstruction
Authors: Tae Jun Jang, Chang Min Hyun
Date: 2024-02-20 00:00:00
Tasks: Diagnostic, Diversity, MRI Reconstruction, NeRF

This article presents a novel undersampled magnetic resonance imaging (MRI) technique that leverages the concept of Neural Radiance Field (NeRF). With radial undersampling, the corresponding imaging problem can be reformulated into an image modeling task from sparse-view rendered data; therefore, a high dimensional MR image is obtainable from undersampled k-space data by taking advantage of implicit neural representation. A multi-layer perceptron, which is designed to output an image intensity from a spatial coordinate, learns the MR physics-driven rendering relation between given measurement data and desired image. Effective undersampling strategies for high-quality neural representation are investigated. The proposed method serves two benefits: (i) The learning is based fully on single undersampled k-space data, not a bunch of measured data and target image sets. It can be used potentially for diagnostic MR imaging, such as fetal MRI, where data acquisition is relatively rare or limited against diversity of clinical images while undersampled reconstruction is highly demanded. (ii) A reconstructed MR image is a scan-specific representation highly adaptive to the given k-space measurement. Numerous experiments validate the feasibility and capability of the proposed approach.