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1. A Conceptual Framework for Investigating and Mitigating Machine-Learning Measurement Bias (MLMB) in Psychological Assessment

   https://doi.org/10.1177/25152459211061337  

   Tay, Louis; Woo, Sang Eun; Hickman, Louis; Booth, Brandon M.; D’Mello, Sidney (January 2022, Advances in Methods and Practices in Psychological Science)

   Given significant concerns about fairness and bias in the use of artificial intelligence (AI) and machine learning (ML) for psychological assessment, we provide a conceptual framework for investigating and mitigating machine-learning measurement bias (MLMB) from a psychometric perspective. MLMB is defined as differential functioning of the trained ML model between subgroups. MLMB manifests empirically when a trained ML model produces different predicted score levels for different subgroups (e.g., race, gender) despite them having the same ground-truth levels for the underlying construct of interest (e.g., personality) and/or when the model yields differential predictive accuracies across the subgroups. Because the development of ML models involves both data and algorithms, both biased data and algorithm-training bias are potential sources of MLMB. Data bias can occur in the form of nonequivalence between subgroups in the ground truth, platform-based construct, behavioral expression, and/or feature computing. Algorithm-training bias can occur when algorithms are developed with nonequivalence in the relation between extracted features and ground truth (i.e., algorithm features are differentially used, weighted, or transformed between subgroups). We explain how these potential sources of bias may manifest during ML model development and share initial ideas for mitigating them, including recognizing that new statistical and algorithmic procedures need to be developed. We also discuss how this framework clarifies MLMB but does not reduce the complexity of the issue. 

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2. Principled and practical static analysis for Python: Weakest precondition inference of hyperparameter constraints

   https://doi.org/10.1002/spe.3279  

   Rak-amnouykit, Ingkarat; Milanova, Ana; Baudart, Guillaume; Hirzel, Martin; Dolby, Julian (March 2024, Software practice and experience)

   Application programming interfaces often have correctness constraints that cut across multiple arguments. Violating these constraints causes the underlying code to raise runtime exceptions, but at the interface level, these are usually documented at most informally. This paper presents novel principled static analysis and the first inter-procedural weakest-precondition analysis for Python to extract inter-argument constraints. The analysis is mostly static, but to make it tractable for typical Python idioms, it selectively switches to the concrete domain for some cases. This paper focuses on the important case where the interfaces are machine-learning operators and their ar- guments are hyperparameters, rife with constraints. We extracted hyperparameter constraints for 429 functions and operators from 11 libraries and found real bugs. We used a methodology to obtain ground truth for 181 operators from 8 machine-learning libraries; the analysis achieved high precision and recall for them. Our technique ad- vances static analysis for Python and is a step towards safer and more robust machine learning. 

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3. Interpretable Machine Learning for Discovery: Statistical Challenges and Opportunities

   https://doi.org/10.1146/annurev-statistics-040120-030919  

   Allen, Genevera I; Gan, Luqin; Zheng, Lili (April 2024, Annual Review of Statistics and Its Application)

   New technologies have led to vast troves of large and complex data sets across many scientific domains and industries. People routinely use machine learning techniques not only to process, visualize, and make predictions from these big data, but also to make data-driven discoveries. These discoveries are often made using interpretable machine learning, or machine learning models and techniques that yield human-understandable insights. In this article, we discuss and review the field of interpretable machine learning, focusing especially on the techniques, as they are often employed to generate new knowledge or make discoveries from large data sets. We outline the types of discoveries that can be made using interpretable machine learning in both supervised and unsupervised settings. Additionally, we focus on the grand challenge of how to validate these discoveries in a data-driven manner, which promotes trust in machine learning systems and reproducibility in science. We discuss validation both from a practical perspective, reviewing approaches based on data-splitting and stability, as well as from a theoretical perspective, reviewing statistical results on model selection consistency and uncertainty quantification via statistical inference. Finally, we conclude byhighlighting open challenges in using interpretable machine learning techniques to make discoveries, including gaps between theory and practice for validating data-driven discoveries. 

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4. Provably efficient machine learning for quantum many-body problems

   https://doi.org/10.1126/science.abk3333  

   Huang, Hsin-Yuan; Kueng, Richard; Torlai, Giacomo; Albert, Victor V.; Preskill, John (September 2022, Science)

   INTRODUCTION Solving quantum many-body problems, such as finding ground states of quantum systems, has far-reaching consequences for physics, materials science, and chemistry. Classical computers have facilitated many profound advances in science and technology, but they often struggle to solve such problems. Scalable, fault-tolerant quantum computers will be able to solve a broad array of quantum problems but are unlikely to be available for years to come. Meanwhile, how can we best exploit our powerful classical computers to advance our understanding of complex quantum systems? Recently, classical machine learning (ML) techniques have been adapted to investigate problems in quantum many-body physics. So far, these approaches are mostly heuristic, reflecting the general paucity of rigorous theory in ML. Although they have been shown to be effective in some intermediate-size experiments, these methods are generally not backed by convincing theoretical arguments to ensure good performance. RATIONALE A central question is whether classical ML algorithms can provably outperform non-ML algorithms in challenging quantum many-body problems. We provide a concrete answer by devising and analyzing classical ML algorithms for predicting the properties of ground states of quantum systems. We prove that these ML algorithms can efficiently and accurately predict ground-state properties of gapped local Hamiltonians, after learning from data obtained by measuring other ground states in the same quantum phase of matter. Furthermore, under a widely accepted complexity-theoretic conjecture, we prove that no efficient classical algorithm that does not learn from data can achieve the same prediction guarantee. By generalizing from experimental data, ML algorithms can solve quantum many-body problems that could not be solved efficiently without access to experimental data. RESULTS We consider a family of gapped local quantum Hamiltonians, where the Hamiltonian H ( x ) depends smoothly on m parameters (denoted by x ). The ML algorithm learns from a set of training data consisting of sampled values of x , each accompanied by a classical representation of the ground state of H ( x ). These training data could be obtained from either classical simulations or quantum experiments. During the prediction phase, the ML algorithm predicts a classical representation of ground states for Hamiltonians different from those in the training data; ground-state properties can then be estimated using the predicted classical representation. Specifically, our classical ML algorithm predicts expectation values of products of local observables in the ground state, with a small error when averaged over the value of x . The run time of the algorithm and the amount of training data required both scale polynomially in m and linearly in the size of the quantum system. Our proof of this result builds on recent developments in quantum information theory, computational learning theory, and condensed matter theory. Furthermore, under the widely accepted conjecture that nondeterministic polynomial-time (NP)–complete problems cannot be solved in randomized polynomial time, we prove that no polynomial-time classical algorithm that does not learn from data can match the prediction performance achieved by the ML algorithm. In a related contribution using similar proof techniques, we show that classical ML algorithms can efficiently learn how to classify quantum phases of matter. In this scenario, the training data consist of classical representations of quantum states, where each state carries a label indicating whether it belongs to phase A or phase B . The ML algorithm then predicts the phase label for quantum states that were not encountered during training. The classical ML algorithm not only classifies phases accurately, but also constructs an explicit classifying function. Numerical experiments verify that our proposed ML algorithms work well in a variety of scenarios, including Rydberg atom systems, two-dimensional random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases. CONCLUSION We have rigorously established that classical ML algorithms, informed by data collected in physical experiments, can effectively address some quantum many-body problems. These rigorous results boost our hopes that classical ML trained on experimental data can solve practical problems in chemistry and materials science that would be too hard to solve using classical processing alone. Our arguments build on the concept of a succinct classical representation of quantum states derived from randomized Pauli measurements. Although some quantum devices lack the local control needed to perform such measurements, we expect that other classical representations could be exploited by classical ML with similarly powerful results. How can we make use of accessible measurement data to predict properties reliably? Answering such questions will expand the reach of near-term quantum platforms. Classical algorithms for quantum many-body problems. Classical ML algorithms learn from training data, obtained from either classical simulations or quantum experiments. Then, the ML algorithm produces a classical representation for the ground state of a physical system that was not encountered during training. Classical algorithms that do not learn from data may require substantially longer computation time to achieve the same task. 

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5. Vocal Call Locator Benchmark (VCL) for localizing rodent vocalizations from multi-channel audio

   https://doi.org/10.52202/079017-3375  

   Choudhri, Aman; Falkner, Annegret; Francis, Niegil; Ick, Christopher; Ivan, Violet; Mimica, Bartul; Murthy, Mala; Peterson, Ralph; Sanes, Dan; Schneider, David; et al (January 2024, Neural Information Processing Systems Foundation, Inc. (NeurIPS))

   Understanding the behavioral and neural dynamics of social interactions is a goal of contemporary neuroscience. Many machine learning methods have emerged in recent years to make sense of complex video and neurophysiological data that result from these experiments. Less focus has been placed on understanding how animals process acoustic information, including social vocalizations. A critical step to bridge this gap is determining the senders and receivers of acoustic information in social interactions. While sound source localization (SSL) is a classic problem in signal processing, existing approaches are limited in their ability to localize animal-generated sounds in standard laboratory environments. Advances in deep learning methods for SSL are likely to help address these limitations, however there are currently no publicly available models, datasets, or benchmarks to systematically evaluate SSL algorithms in the domain of bioacoustics. Here, we present the VCL Benchmark: the first large-scale dataset for benchmarking SSL algorithms in rodents. We acquired synchronized video and multi-channel audio recordings of 767,295 sounds with annotated ground truth sources across 9 conditions. The dataset provides benchmarks which evaluate SSL performance on real data, simulated acoustic data, and a mixture of real and simulated data. We intend for this benchmark to facilitate knowledge transfer between the neuroscience and acoustic machine learning communities, which have had limited overlap. 

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