pwc-archive/papers-with-abstracts huggingface dataset:
Simulating, Fast and Slow: Learning Policies for Black-Box Optimization
Authors: Fabio Valerio Massoli, Tim Bakker, Thomas Hehn, Tribhuvanesh Orekondy, Arash Behboodi
Date: 2024-06-06 00:00:00
Tasks: Active Learning

In recent years, solving optimization problems involving black-box simulators has become a point of focus for the machine learning community due to their ubiquity in science and engineering. The simulators describe a forward process $f_{\mathrm{sim}}: (\psi, x) \rightarrow y$ from simulation parameters $\psi$ and input data $x$ to observations $y$, and the goal of the optimization problem is to find parameters $\psi$ that minimize a desired loss function. Sophisticated optimization algorithms typically require gradient information regarding the forward process, $f_{\mathrm{sim}}$, with respect to the parameters $\psi$. However, obtaining gradients from black-box simulators can often be prohibitively expensive or, in some cases, impossible. Furthermore, in many applications, practitioners aim to solve a set of related problems. Thus, starting the optimization ``ab initio", i.e. from scratch, each time might be inefficient if the forward model is expensive to evaluate. To address those challenges, this paper introduces a novel method for solving classes of similar black-box optimization problems by learning an active learning policy that guides a differentiable surrogate's training and uses the surrogate's gradients to optimize the simulation parameters with gradient descent. After training the policy, downstream optimization of problems involving black-box simulators requires up to $\sim$90\% fewer expensive simulator calls compared to baselines such as local surrogate-based approaches, numerical optimization, and Bayesian methods.
Data Measurements for Decentralized Data Markets
Authors: Charles Lu, Mohammad Mohammadi Amiri, Ramesh Raskar
Date: 2024-06-06 00:00:00
Tasks: Diversity

Decentralized data markets can provide more equitable forms of data acquisition for machine learning. However, to realize practical marketplaces, efficient techniques for seller selection need to be developed. We propose and benchmark federated data measurements to allow a data buyer to find sellers with relevant and diverse datasets. Diversity and relevance measures enable a buyer to make relative comparisons between sellers without requiring intermediate brokers and training task-dependent models.
Online learning of quantum processes
Authors: Asad Raza, Matthias C. Caro, Jens Eisert, Sumeet Khatri
Date: 2024-06-06 00:00:00

Among recent insights into learning quantum states, online learning and shadow tomography procedures are notable for their ability to accurately predict expectation values even of adaptively chosen observables. In contrast to the state case, quantum process learning tasks with a similarly adaptive nature have received little attention. In this work, we investigate online learning tasks for quantum processes. Whereas online learning is infeasible for general quantum channels, we show that channels of bounded gate complexity as well as Pauli channels can be online learned in the regret and mistake-bounded models of online learning. In fact, we can online learn probabilistic mixtures of any exponentially large set of known channels. We also provide a provably sample-efficient shadow tomography procedure for Pauli channels. Our results extend beyond quantum channels to non-Markovian multi-time processes, with favorable regret and mistake bounds, as well as a shadow tomography procedure. We complement our online learning upper bounds with mistake as well as computational lower bounds. On the technical side, we make use of the multiplicative weights update algorithm, classical adaptive data analysis, and Bell sampling, as well as tools from the theory of quantum combs for multi-time quantum processes. Our work initiates a study of online learning for classes of quantum channels and, more generally, non-Markovian quantum processes. Given the importance of online learning for state shadow tomography, this may serve as a step towards quantum channel variants of adaptive shadow tomography.
Online learning of a panoply of quantum objects
Authors: Akshay Bansal, Ian George, Soumik Ghosh, Jamie Sikora, Alice Zheng
Date: 2024-06-06 00:00:00

In many quantum tasks, there is an unknown quantum object that one wishes to learn. An online strategy for this task involves adaptively refining a hypothesis to reproduce such an object or its measurement statistics. A common evaluation metric for such a strategy is its regret, or roughly the accumulated errors in hypothesis statistics. We prove a sublinear regret bound for learning over general subsets of positive semidefinite matrices via the regularized-follow-the-leader algorithm and apply it to various settings where one wishes to learn quantum objects. For concrete applications, we present a sublinear regret bound for learning quantum states, effects, channels, interactive measurements, strategies, co-strategies, and the collection of inner products of pure states. Our bound applies to many other quantum objects with compact, convex representations. In proving our regret bound, we establish various matrix analysis results useful in quantum information theory. This includes a generalization of Pinsker's inequality for arbitrary positive semidefinite operators with possibly different traces, which may be of independent interest and applicable to more general classes of divergences.
Hypernetworks for Personalizing ASR to Atypical Speech
Authors: Max Müller-Eberstein, Dianna Yee, Karren Yang, Gautam Varma Mantena, Colin Lea
Date: 2024-06-06 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), parameter-efficient fine-tuning, speech-recognition, Speech Recognition

Parameter-efficient fine-tuning (PEFT) for personalizing automatic speech recognition (ASR) has recently shown promise for adapting general population models to atypical speech. However, these approaches assume a priori knowledge of the atypical speech disorder being adapted for -- the diagnosis of which requires expert knowledge that is not always available. Even given this knowledge, data scarcity and high inter/intra-speaker variability further limit the effectiveness of traditional fine-tuning. To circumvent these challenges, we first identify the minimal set of model parameters required for ASR adaptation. Our analysis of each individual parameter's effect on adaptation performance allows us to reduce Word Error Rate (WER) by half while adapting 0.03% of all weights. Alleviating the need for cohort-specific models, we next propose the novel use of a meta-learned hypernetwork to generate highly individualized, utterance-level adaptations on-the-fly for a diverse set of atypical speech characteristics. Evaluating adaptation at the global, cohort and individual-level, we show that hypernetworks generalize better to out-of-distribution speakers, while maintaining an overall relative WER reduction of 75.2% using 0.1% of the full parameter budget.
Solving Inverse Problems in Protein Space Using Diffusion-Based Priors
Authors: Axel Levy, Eric R. Chan, Sara Fridovich-Keil, Frédéric Poitevin, Ellen D. Zhong, Gordon Wetzstein
Date: 2024-06-06 00:00:00

The interaction of a protein with its environment can be understood and controlled via its 3D structure. Experimental methods for protein structure determination, such as X-ray crystallography or cryogenic electron microscopy, shed light on biological processes but introduce challenging inverse problems. Learning-based approaches have emerged as accurate and efficient methods to solve these inverse problems for 3D structure determination, but are specialized for a predefined type of measurement. Here, we introduce a versatile framework to turn raw biophysical measurements of varying types into 3D atomic models. Our method combines a physics-based forward model of the measurement process with a pretrained generative model providing a task-agnostic, data-driven prior. Our method outperforms posterior sampling baselines on both linear and non-linear inverse problems. In particular, it is the first diffusion-based method for refining atomic models from cryo-EM density maps.
Multi-Agent Imitation Learning: Value is Easy, Regret is Hard
Authors: Jingwu Tang, Gokul Swamy, Fei Fang, Zhiwei Steven Wu
Date: 2024-06-06 00:00:00
Tasks: counterfactual, Imitation Learning

We study a multi-agent imitation learning (MAIL) problem where we take the perspective of a learner attempting to coordinate a group of agents based on demonstrations of an expert doing so. Most prior work in MAIL essentially reduces the problem to matching the behavior of the expert within the support of the demonstrations. While doing so is sufficient to drive the value gap between the learner and the expert to zero under the assumption that agents are non-strategic, it does not guarantee robustness to deviations by strategic agents. Intuitively, this is because strategic deviations can depend on a counterfactual quantity: the coordinator's recommendations outside of the state distribution their recommendations induce. In response, we initiate the study of an alternative objective for MAIL in Markov Games we term the regret gap that explicitly accounts for potential deviations by agents in the group. We first perform an in-depth exploration of the relationship between the value and regret gaps. First, we show that while the value gap can be efficiently minimized via a direct extension of single-agent IL algorithms, even value equivalence can lead to an arbitrarily large regret gap. This implies that achieving regret equivalence is harder than achieving value equivalence in MAIL. We then provide a pair of efficient reductions to no-regret online convex optimization that are capable of minimizing the regret gap (a) under a coverage assumption on the expert (MALICE) or (b) with access to a queryable expert (BLADES).
What Do Language Models Learn in Context? The Structured Task Hypothesis
Authors: Jiaoda Li, Yifan Hou, Mrinmaya Sachan, Ryan Cotterell
Date: 2024-06-06 00:00:00
Tasks: In-Context Learning, Meta-Learning, text-classification, Text Classification

Large language models (LLMs) exhibit an intriguing ability to learn a novel task from in-context examples presented in a demonstration, termed in-context learning (ICL). Understandably, a swath of research has been dedicated to uncovering the theories underpinning ICL. One popular hypothesis explains ICL by task selection. LLMs identify the task based on the demonstration and generalize it to the prompt. Another popular hypothesis is that ICL is a form of meta-learning, i.e., the models learn a learning algorithm at pre-training time and apply it to the demonstration. Finally, a third hypothesis argues that LLMs use the demonstration to select a composition of tasks learned during pre-training to perform ICL. In this paper, we empirically explore these three hypotheses that explain LLMs' ability to learn in context with a suite of experiments derived from common text classification tasks. We invalidate the first two hypotheses with counterexamples and provide evidence in support of the last hypothesis. Our results suggest an LLM could learn a novel task in context via composing tasks learned during pre-training.
Securing Equal Share: A Principled Approach for Learning Multiplayer Symmetric Games
Authors: Jiawei Ge, Yuanhao Wang, Wenzhe Li, Chi Jin
Date: 2024-06-06 00:00:00

This paper examines multiplayer symmetric constant-sum games with more than two players in a competitive setting, including examples like Mahjong, Poker, and various board and video games. In contrast to two-player zero-sum games, equilibria in multiplayer games are neither unique nor non-exploitable, failing to provide meaningful guarantees when competing against opponents who play different equilibria or non-equilibrium strategies. This gives rise to a series of long-lasting fundamental questions in multiplayer games regarding suitable objectives, solution concepts, and principled algorithms. This paper takes an initial step towards addressing these challenges by focusing on the natural objective of equal share -- securing an expected payoff of C/n in an n-player symmetric game with a total payoff of C. We rigorously identify the theoretical conditions under which achieving an equal share is tractable and design a series of efficient algorithms, inspired by no-regret learning, that provably attain approximate equal share across various settings. Furthermore, we provide complementary lower bounds that justify the sharpness of our theoretical results. Our experimental results highlight worst-case scenarios where meta-algorithms from prior state-of-the-art systems for multiplayer games fail to secure an equal share, while our algorithm succeeds, demonstrating the effectiveness of our approach.
Repurposing Language Models into Embedding Models: Finding the Compute-Optimal Recipe
Authors: Alicja Ziarko, Albert Q. Jiang, Bartosz Piotrowski, Wenda Li, Mateja Jamnik, Piotr Miłoś
Date: 2024-06-06 00:00:00
Tasks: Decoder, Retrieval, Semantic Similarity, Semantic Textual Similarity

Text embeddings are essential for many tasks, such as document retrieval, clustering, and semantic similarity assessment. In this paper, we study how to contrastively train text embedding models in a compute-optimal fashion, given a suite of pre-trained decoder-only language models. Our innovation is an algorithm that produces optimal configurations of model sizes, data quantities, and fine-tuning methods for text-embedding models at different computational budget levels. The resulting recipe, which we obtain through extensive experiments, can be used by practitioners to make informed design choices for their embedding models. Specifically, our findings suggest that full fine-tuning and low-rank adaptation fine-tuning produce optimal models at lower and higher computational budgets respectively.
Optimal Rates of Convergence for Entropy Regularization in Discounted Markov Decision Processes
Authors: Johannes Müller, Semih Cayci
Date: 2024-06-06 00:00:00
Tasks: Policy Gradient Methods

We study the error introduced by entropy regularization in infinite-horizon, discrete, discounted Markov decision processes. We show that this error decreases exponentially in the inverse regularization strength both in a weighted KL-divergence and in value with a problem-specific exponent. This is in contrast to previously known estimates, of the order $O(\tau)$, where $\tau$ is the regularization strength. We provide a lower bound matching our upper bound up to a polynomial term, thereby characterizing the exponential convergence rate for entropy regularization. Our proof relies on the observation that the solutions of entropy-regularized Markov decision processes solve a gradient flow of the unregularized reward with respect to a Riemannian metric common in natural policy gradient methods. This correspondence allows us to identify the limit of this gradient flow as the generalized maximum entropy optimal policy, thereby characterizing the implicit bias of this gradient flow, which corresponds to a time-continuous version of the natural policy gradient method. We use our improved error estimates to show that for entropy-regularized natural policy gradient methods, the overall error decays exponentially in the square root of the number of iterations, improving over existing sublinear guarantees. Finally, we extend our analysis to settings beyond the entropy. In particular, we characterize the implicit bias regarding general convex potentials and their resulting generalized natural policy gradients.
Learned Feature Importance Scores for Automated Feature Engineering
Authors: Yihe Dong, Sercan Arik, Nathanael Yoder, Tomas Pfister
Date: 2024-06-06 00:00:00
Tasks: Automated Feature Engineering, Feature Engineering, Feature Importance, Time Series

Feature engineering has demonstrated substantial utility for many machine learning workflows, such as in the small data regime or when distribution shifts are severe. Thus automating this capability can relieve much manual effort and improve model performance. Towards this, we propose AutoMAN, or Automated Mask-based Feature Engineering, an automated feature engineering framework that achieves high accuracy, low latency, and can be extended to heterogeneous and time-varying data. AutoMAN is based on effectively exploring the candidate transforms space, without explicitly manifesting transformed features. This is achieved by learning feature importance masks, which can be extended to support other modalities such as time series. AutoMAN learns feature transform importance end-to-end, incorporating a dataset's task target directly into feature engineering, resulting in state-of-the-art performance with significantly lower latency compared to alternatives.
Fast Redescription Mining Using Locality-Sensitive Hashing
Authors: Maiju Karjalainen, Esther Galbrun, Pauli Miettinen
Date: 2024-06-06 00:00:00

Redescription mining is a data analysis technique that has found applications in diverse fields. The most used redescription mining approaches involve two phases: finding matching pairs among data attributes and extending the pairs. This process is relatively efficient when the number of attributes remains limited and when the attributes are Boolean, but becomes almost intractable when the data consist of many numerical attributes. In this paper, we present new algorithms that perform the matching and extension orders of magnitude faster than the existing approaches. Our algorithms are based on locality-sensitive hashing with a tailored approach to handle the discretisation of numerical attributes as used in redescription mining.
Stochastic Polyak Step-sizes and Momentum: Convergence Guarantees and Practical Performance
Authors: Dimitris Oikonomou, Nicolas Loizou
Date: 2024-06-06 00:00:00
Tasks: Stochastic Optimization

Stochastic gradient descent with momentum, also known as Stochastic Heavy Ball method (SHB), is one of the most popular algorithms for solving large-scale stochastic optimization problems in various machine learning tasks. In practical scenarios, tuning the step-size and momentum parameters of the method is a prohibitively expensive and time-consuming process. In this work, inspired by the recent advantages of stochastic Polyak step-size in the performance of stochastic gradient descent (SGD), we propose and explore new Polyak-type variants suitable for the update rule of the SHB method. In particular, using the Iterate Moving Average (IMA) viewpoint of SHB, we propose and analyze three novel step-size selections: MomSPS$_{\max}$, MomDecSPS, and MomAdaSPS. For MomSPS$_{\max}$, we provide convergence guarantees for SHB to a neighborhood of the solution for convex and smooth problems (without assuming interpolation). If interpolation is also satisfied, then using MomSPS$_{\max}$, SHB converges to the true solution at a fast rate matching the deterministic HB. The other two variants, MomDecSPS and MomAdaSPS, are the first adaptive step-size for SHB that guarantee convergence to the exact minimizer - without a priori knowledge of the problem parameters and without assuming interpolation. Our convergence analysis of SHB is tight and obtains the convergence guarantees of stochastic Polyak step-size for SGD as a special case. We supplement our analysis with experiments validating our theory and demonstrating the effectiveness and robustness of our algorithms.
Optimal Batched Linear Bandits
Authors: Xuanfei Ren, Tianyuan Jin, Pan Xu
Date: 2024-06-06 00:00:00
Tasks: Computational Efficiency, Multi-Armed Bandits

We introduce the E$^4$ algorithm for the batched linear bandit problem, incorporating an Explore-Estimate-Eliminate-Exploit framework. With a proper choice of exploration rate, we prove E$^4$ achieves the finite-time minimax optimal regret with only $O(\log\log T)$ batches, and the asymptotically optimal regret with only $3$ batches as $T\rightarrow\infty$, where $T$ is the time horizon. We further prove a lower bound on the batch complexity of linear contextual bandits showing that any asymptotically optimal algorithm must require at least $3$ batches in expectation as $T\rightarrow\infty$, which indicates E$^4$ achieves the asymptotic optimality in regret and batch complexity simultaneously. To the best of our knowledge, E$^4$ is the first algorithm for linear bandits that simultaneously achieves the minimax and asymptotic optimality in regret with the corresponding optimal batch complexities. In addition, we show that with another choice of exploration rate E$^4$ achieves an instance-dependent regret bound requiring at most $O(\log T)$ batches, and maintains the minimax optimality and asymptotic optimality. We conduct thorough experiments to evaluate our algorithm on randomly generated instances and the challenging \textit{End of Optimism} instances \citep{lattimore2017end} which were shown to be hard to learn for optimism based algorithms. Empirical results show that E$^4$ consistently outperforms baseline algorithms with respect to regret minimization, batch complexity, and computational efficiency.
From Tissue Plane to Organ World: A Benchmark Dataset for Multimodal Biomedical Image Registration using Deep Co-Attention Networks
Authors: Yifeng Wang, Weipeng Li, Thomas Pearce, Haohan Wang
Date: 2024-06-06 00:00:00
Tasks: Image Registration

Correlating neuropathology with neuroimaging findings provides a multiscale view of pathologic changes in the human organ spanning the meso- to micro-scales, and is an emerging methodology expected to shed light on numerous disease states. To gain the most information from this multimodal, multiscale approach, it is desirable to identify precisely where a histologic tissue section was taken from within the organ in order to correlate with the tissue features in exactly the same organ region. Histology-to-organ registration poses an extra challenge, as any given histologic section can capture only a small portion of a human organ. Making use of the capabilities of state-of-the-art deep learning models, we unlock the potential to address and solve such intricate challenges. Therefore, we create the ATOM benchmark dataset, sourced from diverse institutions, with the primary objective of transforming this challenge into a machine learning problem and delivering outstanding outcomes that enlighten the biomedical community. The performance of our RegisMCAN model demonstrates the potential of deep learning to accurately predict where a subregion extracted from an organ image was obtained from within the overall 3D volume. The code and dataset can be found at: https://github.com/haizailache999/Image-Registration/tree/main