pwc-archive/papers-with-abstracts huggingface dataset:
Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation
Authors: Shih-Kuang, Lee, Sun-Ting Tsai, Sharon Glotzer
Date: 2023-12-19 00:00:00
Tasks: Data Augmentation

Detecting and analyzing the local environment is crucial for investigating the dynamical processes of crystal nucleation and shape colloidal particle self-assembly. Recent developments in machine learning provide a promising avenue for better order parameters in complex systems that are challenging to study using traditional approaches. However, the application of machine learning to self-assembly on systems of particle shapes is still underexplored. To address this gap, we propose a simple, physics-agnostic, yet powerful approach that involves training a multilayer perceptron (MLP) as a local environment classifier for systems of particle shapes, using input features such as particle distances and orientations. Our MLP classifier is trained in a supervised manner with a shape symmetry-encoded data augmentation technique without the need for any conventional roto-translations invariant symmetry functions. We evaluate the performance of our classifiers on four different scenarios involving self-assembly of cubic structures, 2-dimensional and 3-dimensional patchy particle shape systems, hexagonal bipyramids with varying aspect ratios, and truncated shapes with different degrees of truncation. The proposed training process and data augmentation technique are both straightforward and flexible, enabling easy application of the classifier to other processes involving particle orientations. Our work thus presents a valuable tool for investigating self-assembly processes on systems of particle shapes, with potential applications in structure identification of any particle-based or molecular system where orientations can be defined.
Fast, Scalable, Warm-Start Semidefinite Programming with Spectral Bundling and Sketching
Authors: Rico Angell, Andrew McCallum
Date: 2023-12-19 00:00:00

While semidefinite programming (SDP) has traditionally been limited to moderate-sized problems, recent algorithms augmented with matrix sketching techniques have enabled solving larger SDPs. However, these methods achieve scalability at the cost of an increase in the number of necessary iterations, resulting in slower convergence as the problem size grows. Furthermore, they require iteration-dependent parameter schedules that prohibit effective utilization of warm-start initializations important in practical applications with incrementally-arriving data or mixed-integer programming. We present Unified Spectral Bundling with Sketching (USBS), a provably correct, fast and scalable algorithm for solving massive SDPs that can leverage a warm-start initialization to further accelerate convergence. Our proposed algorithm is a spectral bundle method for solving general SDPs containing both equality and inequality constraints. Moveover, when augmented with an optional matrix sketching technique, our algorithm achieves the dramatically improved scalability of previous work while sustaining convergence speed. We empirically demonstrate the effectiveness of our method across multiple applications, with and without warm-starting. For example, USBS provides a 500x speed-up over the state-of-the-art scalable SDP solver on an instance with over 2 billion decision variables.
Data-Driven Merton's Strategies via Policy Randomization
Authors: Min Dai, Yuchao Dong, Yanwei Jia, Xun Yu Zhou
Date: 2023-12-19 00:00:00
Tasks: Reinforcement Learning (RL)

We study Merton's expected utility maximization problem in an incomplete market, characterized by a factor process in addition to the stock price process, where all the model primitives are unknown. The agent under consideration is a price taker who has access only to the stock and factor value processes and the instantaneous volatility. We propose an auxiliary problem in which the agent can invoke policy randomization according to a specific class of Gaussian distributions, and prove that the mean of its optimal Gaussian policy solves the original Merton problem. With randomized policies, we are in the realm of continuous-time reinforcement learning (RL) recently developed in Wang et al. (2020) and Jia and Zhou (2022a, 2022b, 2023), enabling us to solve the auxiliary problem in a data-driven way without having to estimate the model primitives. Specifically, we establish a policy improvement theorem based on which we design both online and offline actor-critic RL algorithms for learning Merton's strategies. A key insight from this study is that RL in general and policy randomization in particular are useful beyond the purpose for exploration -- they can be employed as a technical tool to solve a problem that cannot be otherwise solved by mere deterministic policies. At last, we carry out both simulation and empirical studies in a stochastic volatility environment to demonstrate the decisive outperformance of the devised RL algorithms in comparison to the conventional model-based, plug-in method.
Faster Convergence with Multiway Preferences
Authors: Aadirupa Saha, Vitaly Feldman, Tomer Koren, Yishay Mansour
Date: 2023-12-19 00:00:00

We address the problem of convex optimization with preference feedback, where the goal is to minimize a convex function given a weaker form of comparison queries. Each query consists of two points and the dueling feedback returns a (noisy) single-bit binary comparison of the function values of the two queried points. Here we consider the sign-function-based comparison feedback model and analyze the convergence rates with batched and multiway (argmin of a set queried points) comparisons. Our main goal is to understand the improved convergence rates owing to parallelization in sign-feedback-based optimization problems. Our work is the first to study the problem of convex optimization with multiway preferences and analyze the optimal convergence rates. Our first contribution lies in designing efficient algorithms with a convergence rate of $\smash{\widetilde O}(\frac{d}{\min\{m,d\} \epsilon})$ for $m$-batched preference feedback where the learner can query $m$-pairs in parallel. We next study a $m$-multiway comparison (`battling') feedback, where the learner can get to see the argmin feedback of $m$-subset of queried points and show a convergence rate of $\smash{\widetilde O}(\frac{d}{ \min\{\log m,d\}\epsilon })$. We show further improved convergence rates with an additional assumption of strong convexity. Finally, we also study the convergence lower bounds for batched preferences and multiway feedback optimization showing the optimality of our convergence rates w.r.t. $m$.
Clustering Mixtures of Bounded Covariance Distributions Under Optimal Separation
Authors: Ilias Diakonikolas, Daniel M. Kane, Jasper C. H. Lee, Thanasis Pittas
Date: 2023-12-19 00:00:00
Tasks: Clustering

We study the clustering problem for mixtures of bounded covariance distributions, under a fine-grained separation assumption. Specifically, given samples from a $k$-component mixture distribution $D = \sum_{i =1}^k w_i P_i$, where each $w_i \ge \alpha$ for some known parameter $\alpha$, and each $P_i$ has unknown covariance $\Sigma_i \preceq \sigma^2_i \cdot I_d$ for some unknown $\sigma_i$, the goal is to cluster the samples assuming a pairwise mean separation in the order of $(\sigma_i+\sigma_j)/\sqrt{\alpha}$ between every pair of components $P_i$ and $P_j$. Our contributions are as follows: For the special case of nearly uniform mixtures, we give the first poly-time algorithm for this clustering task. Prior work either required separation scaling with the maximum cluster standard deviation (i.e. $\max_i \sigma_i$) [DKK+22b] or required both additional structural assumptions and mean separation scaling as a large degree polynomial in $1/\alpha$ [BKK22]. For general-weight mixtures, we point out that accurate clustering is information-theoretically impossible under our fine-grained mean separation assumptions. We introduce the notion of a clustering refinement -- a list of not-too-small subsets satisfying a similar separation, and which can be merged into a clustering approximating the ground truth -- and show that it is possible to efficiently compute an accurate clustering refinement of the samples. Furthermore, under a variant of the "no large sub-cluster'' condition from in prior work [BKK22], we show that our algorithm outputs an accurate clustering, not just a refinement, even for general-weight mixtures. As a corollary, we obtain efficient clustering algorithms for mixtures of well-conditioned high-dimensional log-concave distributions. Moreover, our algorithm is robust to $\Omega(\alpha)$-fraction of adversarial outliers.
A Bayesian Spatial Model to Correct Under-Reporting in Urban Crowdsourcing
Authors: Gabriel Agostini, Emma Pierson, Nikhil Garg
Date: 2023-12-18 00:00:00

Decision-makers often observe the occurrence of events through a reporting process. City governments, for example, rely on resident reports to find and then resolve urban infrastructural problems such as fallen street trees, flooded basements, or rat infestations. Without additional assumptions, there is no way to distinguish events that occur but are not reported from events that truly did not occur--a fundamental problem in settings with positive-unlabeled data. Because disparities in reporting rates correlate with resident demographics, addressing incidents only on the basis of reports leads to systematic neglect in neighborhoods that are less likely to report events. We show how to overcome this challenge by leveraging the fact that events are spatially correlated. Our framework uses a Bayesian spatial latent variable model to infer event occurrence probabilities and applies it to storm-induced flooding reports in New York City, further pooling results across multiple storms. We show that a model accounting for under-reporting and spatial correlation predicts future reports more accurately than other models, and further induces a more equitable set of inspections: its allocations better reflect the population and provide equitable service to non-white, less traditionally educated, and lower-income residents. This finding reflects heterogeneous reporting behavior learned by the model: reporting rates are higher in Census tracts with higher populations, proportions of white residents, and proportions of owner-occupied households. Our work lays the groundwork for more equitable proactive government services, even with disparate reporting behavior.
ACCL+: an FPGA-Based Collective Engine for Distributed Applications
Authors: Zhenhao He, Dario Korolija, Yu Zhu, Benjamin Ramhorst, Tristan Laan, Lucian Petrica, Michaela Blott, Gustavo Alonso
Date: 2023-12-18 00:00:00
Tasks: CPU

FPGAs are increasingly prevalent in cloud deployments, serving as Smart NICs or network-attached accelerators. Despite their potential, developing distributed FPGA-accelerated applications remains cumbersome due to the lack of appropriate infrastructure and communication abstractions. To facilitate the development of distributed applications with FPGAs, in this paper we propose ACCL+, an open-source versatile FPGA-based collective communication library. Portable across different platforms and supporting UDP, TCP, as well as RDMA, ACCL+ empowers FPGA applications to initiate direct FPGA-to-FPGA collective communication. Additionally, it can serve as a collective offload engine for CPU applications, freeing the CPU from networking tasks. It is user-extensible, allowing new collectives to be implemented and deployed without having to re-synthesize the FPGA circuit. We evaluated ACCL+ on an FPGA cluster with 100 Gb/s networking, comparing its performance against software MPI over RDMA. The results demonstrate ACCL+'s significant advantages for FPGA-based distributed applications and highly competitive performance for CPU applications. We showcase ACCL+'s dual role with two use cases: seamlessly integrating as a collective offload engine to distribute CPU-based vector-matrix multiplication, and serving as a crucial and efficient component in designing fully FPGA-based distributed deep-learning recommendation inference.
Multiple Hypothesis Dropout: Estimating the Parameters of Multi-Modal Output Distributions
Authors: David D. Nguyen, David Liebowitz, Surya Nepal, Salil S. Kanhere
Date: 2023-12-18 00:00:00
Tasks: Multiple-choice, Pedestrian Trajectory Prediction, Trajectory Prediction

In many real-world applications, from robotics to pedestrian trajectory prediction, there is a need to predict multiple real-valued outputs to represent several potential scenarios. Current deep learning techniques to address multiple-output problems are based on two main methodologies: (1) mixture density networks, which suffer from poor stability at high dimensions, or (2) multiple choice learning (MCL), an approach that uses $M$ single-output functions, each only producing a point estimate hypothesis. This paper presents a Mixture of Multiple-Output functions (MoM) approach using a novel variant of dropout, Multiple Hypothesis Dropout. Unlike traditional MCL-based approaches, each multiple-output function not only estimates the mean but also the variance for its hypothesis. This is achieved through a novel stochastic winner-take-all loss which allows each multiple-output function to estimate variance through the spread of its subnetwork predictions. Experiments on supervised learning problems illustrate that our approach outperforms existing solutions for reconstructing multimodal output distributions. Additional studies on unsupervised learning problems show that estimating the parameters of latent posterior distributions within a discrete autoencoder significantly improves codebook efficiency, sample quality, precision and recall.
Stronger Graph Transformer with Regularized Attention Scores
Authors: Eugene Ku
Date: 2023-12-18 00:00:00

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and Transformer architecture led to a combinationally worse memory issue. We propose a novel version of "edge regularization technique" that alleviates the need for Positional Encoding and ultimately alleviate GT's out of memory issue. We observe that it is not clear whether having an edge regularization on top of positional encoding is helpful. However, it seems evident that applying our edge regularization technique indeed stably improves GT's performance compared to GT without Positional Encoding.
A Simple and Practical Method for Reducing the Disparate Impact of Differential Privacy
Authors: Lucas Rosenblatt, Julia Stoyanovich, Christopher Musco
Date: 2023-12-18 00:00:00

Differentially private (DP) mechanisms have been deployed in a variety of high-impact social settings (perhaps most notably by the U.S. Census). Since all DP mechanisms involve adding noise to results of statistical queries, they are expected to impact our ability to accurately analyze and learn from data, in effect trading off privacy with utility. Alarmingly, the impact of DP on utility can vary significantly among different sub-populations. A simple way to reduce this disparity is with stratification. First compute an independent private estimate for each group in the data set (which may be the intersection of several protected classes), then, to compute estimates of global statistics, appropriately recombine these group estimates. Our main observation is that naive stratification often yields high-accuracy estimates of population-level statistics, without the need for additional privacy budget. We support this observation theoretically and empirically. Our theoretical results center on the private mean estimation problem, while our empirical results center on extensive experiments on private data synthesis to demonstrate the effectiveness of stratification on a variety of private mechanisms. Overall, we argue that this straightforward approach provides a strong baseline against which future work on reducing utility disparities of DP mechanisms should be compared.
Accelerating the prediction of inorganic surfaces with machine learning interatomic potentials
Authors: Kyle Noordhoek, Christopher J. Bartel
Date: 2023-12-18 00:00:00

The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the materials synthesis or operating conditions. These conditions dictate thermodynamic driving forces and kinetic rates responsible for yielding the observed surface structure and morphology. Computational surface science methods have long been applied to connect thermochemical conditions to surface phase stability, particularly in the heterogeneous catalysis and thin film growth communities. This review provides a brief introduction to first-principles approaches to compute surface phase diagrams before introducing emerging data-driven approaches. The remainder of the review focuses on the application of machine learning, predominantly in the form of learned interatomic potentials, to study complex surfaces. As machine learning algorithms and large datasets on which to train them become more commonplace in materials science, computational methods are poised to become even more predictive and powerful for modeling the complexities of inorganic surfaces at the nanoscale.
Shaping Political Discourse using multi-source News Summarization
Authors: Charles Rajan, Nishit Asnani, Shreya Singh
Date: 2023-12-18 00:00:00
Tasks: Document Summarization, Multi-Document Summarization, News Summarization

Multi-document summarization is the process of automatically generating a concise summary of multiple documents related to the same topic. This summary can help users quickly understand the key information from a large collection of documents. Multi-document summarization systems are more complex than single-document summarization systems due to the need to identify and combine information from multiple sources. In this paper, we have developed a machine learning model that generates a concise summary of a topic from multiple news documents. The model is designed to be unbiased by sampling its input equally from all the different aspects of the topic, even if the majority of the news sources lean one way.
Eliciting Kemeny Rankings
Authors: Anne-Marie George, Christos Dimitrakakis
Date: 2023-12-18 00:00:00

We formulate the problem of eliciting agents' preferences with the goal of finding a Kemeny ranking as a Dueling Bandits problem. Here the bandits' arms correspond to alternatives that need to be ranked and the feedback corresponds to a pairwise comparison between alternatives by a randomly sampled agent. We consider both sampling with and without replacement, i.e., the possibility to ask the same agent about some comparison multiple times or not. We find approximation bounds for Kemeny rankings dependant on confidence intervals over estimated winning probabilities of arms. Based on these we state algorithms to find Probably Approximately Correct (PAC) solutions and elaborate on their sample complexity for sampling with or without replacement. Furthermore, if all agents' preferences are strict rankings over the alternatives, we provide means to prune confidence intervals and thereby guide a more efficient elicitation. We formulate several adaptive sampling methods that use look-aheads to estimate how much confidence intervals (and thus approximation guarantees) might be tightened. All described methods are compared on synthetic data.
Residual ANODE
Authors: Ranit Das, Gregor Kasieczka, David Shih
Date: 2023-12-18 00:00:00
Tasks: Anomaly Detection, Inductive Bias

We present R-ANODE, a new method for data-driven, model-agnostic resonant anomaly detection that raises the bar for both performance and interpretability. The key to R-ANODE is to enhance the inductive bias of the anomaly detection task by fitting a normalizing flow directly to the small and unknown signal component, while holding fixed a background model (also a normalizing flow) learned from sidebands. In doing so, R-ANODE is able to outperform all classifier-based, weakly-supervised approaches, as well as the previous ANODE method which fit a density estimator to all of the data in the signal region instead of just the signal. We show that the method works equally well whether the unknown signal fraction is learned or fixed, and is even robust to signal fraction misspecification. Finally, with the learned signal model we can sample and gain qualitative insights into the underlying anomaly, which greatly enhances the interpretability of resonant anomaly detection and offers the possibility of simultaneously discovering and characterizing the new physics that could be hiding in the data.
Regularized Conditional Alignment for Multi-Domain Text Classification
Authors: Juntao Hu, Yuan Wu
Date: 2023-12-18 00:00:00
Tasks: Classification, text-classification, Text Classification

The most successful multi-domain text classification (MDTC) approaches employ the shared-private paradigm to facilitate the enhancement of domain-invariant features through domain-specific attributes. Additionally, they employ adversarial training to align marginal feature distributions. Nevertheless, these methodologies encounter two primary challenges: (1) Neglecting class-aware information during adversarial alignment poses a risk of misalignment; (2) The limited availability of labeled data across multiple domains fails to ensure adequate discriminative capacity for the model. To tackle these issues, we propose a method called Regularized Conditional Alignment (RCA) to align the joint distributions of domains and classes, thus matching features within the same category and amplifying the discriminative qualities of acquired features. Moreover, we employ entropy minimization and virtual adversarial training to constrain the uncertainty of predictions pertaining to unlabeled data and enhance the model's robustness. Empirical results on two benchmark datasets demonstrate that our RCA approach outperforms state-of-the-art MDTC techniques.
Towards AI-driven Integrative Emissions Monitoring & Management for Nature-Based Climate Solutions
Authors: Olamide Oladeji, Seyed Shahabeddin Mousavi
Date: 2023-12-17 00:00:00
Tasks: Decision Making, Disaster Response, Management

AI has been proposed as an important tool to support several efforts related to nature-based climate solutions such as the detection of wildfires that affect forests and vegetation-based offsets. While this and other use-cases provide important demonstrative value of the power of AI in climate change mitigation, such efforts have typically been undertaken in silos, without awareness of the integrative nature of real-world climate policy-making. In this paper, we propose a novel overarching framework for AI-aided integrated and comprehensive decision support for various aspects of nature-based climate decision-making. Focusing on vegetation-based solutions such as forests, we demonstrate how different AI-aided decision support models such as AI-aided wildfire detection, AI-aided vegetation carbon stock assessment, reversal risk mitigation, and disaster response planning can be integrated into a comprehensive framework. Rather than being disparate elements, we posit that the exchange of data and analytical results across elements of the framework, and careful mitigation of uncertainty propagation will provide tremendous value relative to the status-quo for real-world climate policy-making.