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Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

Annotating bounding boxes is costly and limits the scalability of object detection. This challenge is compounded by the need to preserve high accuracy while minimizing manual effort in real-world applications. Prior active learning methods…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Rashi Sharma , Justin Timothy C. Bersamin , Karthikk Subramanian

We introduce collapsed compilation, a novel approximate inference algorithm for discrete probabilistic graphical models. It is a collapsed sampling algorithm that incrementally selects which variable to sample next based on the partial…

Artificial Intelligence · Computer Science 2018-06-01 Tal Friedman , Guy Van den Broeck

Most incremental learners excessively prioritize coarse classes of objects while neglecting various kinds of states (e.g. color and material) attached to the objects. As a result, they are limited in the ability to reason fine-grained…

Computer Vision and Pattern Recognition · Computer Science 2025-03-28 Yanyi Zhang , Binglin Qiu , Qi Jia , Yu Liu , Ran He

We develop combinatorial test generation algorithms for progressively more powerful theorem provers, covering formula languages ranging from the implicational fragment of intuitionistic logic to full intuitionistic propositional logic. Our…

Logic in Computer Science · Computer Science 2019-10-07 Paul Tarau

Active learning selects the most informative samples to exploit limited annotation budgets. Existing work follows a cumbersome pipeline that repeats the time-consuming model training and batch data selection multiple times. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Yichen Xie , Masayoshi Tomizuka , Wei Zhan

A desirable data selection algorithm can efficiently choose the most informative samples to maximize the utility of limited annotation budgets. However, current approaches, represented by active learning methods, typically follow a…

Computer Vision and Pattern Recognition · Computer Science 2023-10-17 Yichen Xie , Mingyu Ding , Masayoshi Tomizuka , Wei Zhan

We introduce \texttt{pycobra}, a Python library devoted to ensemble learning (regression and classification) and visualisation. Its main assets are the implementation of several ensemble learning algorithms, a flexible and generic interface…

Computation · Statistics 2019-05-24 Benjamin Guedj , Bhargav Srinivasa Desikan

Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…

Library learning compresses a given corpus of programs by extracting common structure from the corpus into reusable library functions. Prior work on library learning suffers from two limitations that prevent it from scaling to larger, more…

Programming Languages · Computer Science 2022-12-12 David Cao , Rose Kunkel , Chandrakana Nandi , Max Willsey , Zachary Tatlock , Nadia Polikarpova

Register allocation (mapping variables to processor registers or memory) and instruction scheduling (reordering instructions to increase instruction-level parallelism) are essential tasks for generating efficient assembly code in a…

Programming Languages · Computer Science 2019-06-10 Roberto Castañeda Lozano , Christian Schulte

Active learning (AL) is a sub-field of ML focused on the development of methods to iteratively and economically acquire data by strategically querying new data points that are the most useful for a particular task. Here, we introduce…

A boson sampler implements a restricted model of quantum computing. It is defined by the ability to sample from the distribution resulting from the interference of identical bosons propagating according to programmable, non-interacting…

This document presents a combinatorial framework for analyzing assembly systems using generating functions. We explore the theory through concrete examples, such as linear polymers, and develop recursive equations to characterize valid…

Combinatorics · Mathematics 2025-01-22 Andrés Ortiz-Muñoz

Conformal prediction is a general distribution-free approach for constructing prediction sets combined with any machine learning algorithm that achieve valid marginal or conditional coverage in finite samples. Ordinal classification is…

Methodology · Statistics 2024-11-05 Subhrasish Chakraborty , Chhavi Tyagi , Haiyan Qiao , Wenge Guo

In this work, we present CoCal, an interpretable and consistent object parsing framework based on dictionary-based mask transformer. Designed around Contrastive Components and Logical Constraints, CoCal rethinks existing cluster-based mask…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Tiezheng Zhang , Qihang Yu , Alan Yuille , Ju He

This paper proposes a novel column generation framework for combinatorial software testing. In particular, it combines Mathematical Programming and Constraint Programming in a hybrid decomposition to generate covering arrays. The approach…

Artificial Intelligence · Computer Science 2017-12-20 Serdar Kadioglu

Sampling strategies have been widely applied in many recommendation systems to accelerate model learning from implicit feedback data. A typical strategy is to draw negative instances with uniform distribution, which however will severely…

Information Retrieval · Computer Science 2020-11-17 Jiawei Chen , Chengquan Jiang , Can Wang , Sheng Zhou , Yan Feng , Chun Chen , Martin Ester , Xiangnan He

Multi-label image classification presents a challenging task in many domains, including computer vision and medical imaging. Recent advancements have introduced graph-based and transformer-based methods to improve performance and capture…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Ahmad Sajedi , Samir Khaki , Yuri A. Lawryshyn , Konstantinos N. Plataniotis

Many random combinatorial objects have a component structure whose joint distribution is equal to that of a process of mutually independent random variables, conditioned on the value of a weighted sum of the variables. It is interesting to…

Probability · Mathematics 2013-08-16 Richard Arratia , Simon Tavare