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Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…

Chemical Physics · Physics 2017-04-21 Gregor N. Simm , Jonny Proppe , Markus Reiher

We consider models for which it is important, early in processing, to estimate some variables with high precision, but perhaps at relatively low rates of recall. If some variables can be identified with near certainty, then they can be…

Computer Vision and Pattern Recognition · Computer Science 2009-07-03 Andrew Kae , Gary B. Huang , Erik Learned-Miller

The article considers the quantitative assessment approach to the innovativeness of different objects. The proposed assessment model is based on the object data retrieval from various databases including the Internet. We present an object…

Digital Libraries · Computer Science 2021-03-31 V. K. Ivanov

Large language models are highly capable of answering difficult questions by retrieving, recombining, and attending to information in long contexts. For agentic tasks, an additional capability is required: the preservation of an exact state…

Computation and Language · Computer Science 2026-05-19 Tianxiang Dai , Jonathan Fan

Conformance checking techniques allow us to quantify the correspondence of a process's execution, captured in event data, w.r.t., a reference process model. In this context, alignments have proven to be useful for calculating conformance…

Software Engineering · Computer Science 2021-03-25 Mohammadreza Fani Sani , Martin Kabierski , Sebastiaan J. van Zelst , Wil M. P. van der Aalst

Mathematical models of the real world are simplified representations of complex systems. A caveat to using mathematical models is that predicted causal effects and conditional independences may not be robust under model extensions, limiting…

Methodology · Statistics 2022-08-30 Tineke Blom , Joris M. Mooij

Performance models are well-known instruments to understand the scaling behavior of parallel applications. They express how performance changes as key execution parameters, such as the number of processes or the size of the input problem,…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-01 Marcin Copik , Alexandru Calotoiu , Tobias Grosser , Nicolas Wicki , Felix Wolf , Torsten Hoefler

In safety-critical applications, language models should be able to characterize their uncertainty with meaningful probabilities. Many uncertainty quantification approaches require supervised data; however, finding suitable unseen…

Computation and Language · Computer Science 2026-05-14 Sophia Hager , Simon Zeng , Nicholas Andrews

Inference amortization methods share information across multiple posterior-inference problems, allowing each to be carried out more efficiently. Generally, they require the inversion of the dependency structure in the generative model, as…

Machine Learning · Statistics 2018-11-30 Stefan Webb , Adam Golinski , Robert Zinkov , N. Siddharth , Tom Rainforth , Yee Whye Teh , Frank Wood

Recent advances in probabilistic deep learning enable efficient amortized Bayesian inference in settings where the likelihood function is only implicitly defined by a simulation program (simulation-based inference; SBI). But how faithful is…

Machine Learning · Computer Science 2024-06-07 Marvin Schmitt , Paul-Christian Bürkner , Ullrich Köthe , Stefan T. Radev

Interpretable rationales for model predictions play a critical role in practical applications. In this study, we develop models possessing interpretable inference process for structured prediction. Specifically, we present a method of…

Computation and Language · Computer Science 2020-05-01 Hiroki Ouchi , Jun Suzuki , Sosuke Kobayashi , Sho Yokoi , Tatsuki Kuribayashi , Ryuto Konno , Kentaro Inui

The widespread use of machine learning in credit scoring has brought significant advancements in risk assessment and decision-making. However, it has also raised concerns about potential biases, discrimination, and lack of transparency in…

Model-based safety analysis approaches aim at finding critical failure combinations by analysis of models of the whole system (i.e. software, hardware, failure modes and environment). The advantage of these methods compared to traditional…

Logic in Computer Science · Computer Science 2010-06-29 Matthias Güdemann , Frank Ortmeier

Generating synthetic datasets that accurately reflect real-world observational data is critical for evaluating causal estimators, but it remains a challenging task. Existing generative methods offer a solution by producing synthetic…

Machine Learning · Computer Science 2026-04-07 Pracheta Amaranath , Vinitra Muralikrishnan , Amit Sharma , David Jensen

The wide-spread adoption of representation learning technologies in clinical decision making strongly emphasizes the need for characterizing model reliability and enabling rigorous introspection of model behavior. While the former need is…

Machine Learning · Computer Science 2020-05-01 Jayaraman J. Thiagarajan , Prasanna Sattigeri , Deepta Rajan , Bindya Venkatesh

Malware detection and analysis are active research subjects in cybersecurity over the last years. Indeed, the development of obfuscation techniques, as packing, for example, requires special attention to detect recent variants of malware.…

Cryptography and Security · Computer Science 2021-07-26 Benjamin Marais , Tony Quertier , Christophe Chesneau

We explore the relationship among model fidelity, experimental design, and parameter estimation in sloppy models. We show that the approximate nature of mathematical models poses challenges for experimental design in sloppy models. In many…

Quantitative Methods · Quantitative Biology 2017-02-08 Andrew White , Malachi Tolman , Howard D. Thames , Hubert Rodney Withers , Kathy A. Mason , Mark K. Transtrum

Regular model checking is a technique for the verification of infinite-state systems whose configurations can be represented as finite words over a suitable alphabet. The form we are studying applies to systems whose set of initial…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-22 Javier Esparza , Michael Raskin , Christoph Welzel-Mohr

Calibrating blackbox machine learning models to achieve risk control is crucial to ensure reliable decision-making. A rich line of literature has been studying how to calibrate a model so that its predictions satisfy explicit finite-sample…

Machine Learning · Statistics 2025-06-02 Victor Li , Baiting Chen , Yuzhen Mao , Qi Lei , Zhun Deng

Binary classification involves predicting the label of an instance based on whether the model score for the positive class exceeds a threshold chosen based on the application requirements (e.g., maximizing recall for a precision bound).…

Machine Learning · Computer Science 2023-11-21 Gundeep Arora , Srujana Merugu , Anoop Saladi , Rajeev Rastogi