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Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach…

计算工程、金融与科学 · 计算机科学 2023-04-26 Can Chen , Yingxue Zhang , Xue Liu , Mark Coates

The design of biological systems is hindered by uncertainty arising from both intrinsic stochasticity of biomolecular reactions and variability across laboratory or experimental conditions. In this work, we present a sequential framework to…

机器学习 · 计算机科学 2026-05-08 Michal Kobiela , Diego A. Oyarzún , Michael U. Gutmann

Optimizing complex and high-dimensional black-box functions is ubiquitous in science and engineering fields. Unfortunately, the online evaluation of these functions is restricted due to time and safety constraints in most cases. In offline…

机器学习 · 计算机科学 2024-07-03 Taeyoung Yun , Sujin Yun , Jaewoo Lee , Jinkyoo Park

Open domain neural dialogue models, despite their successes, are known to produce responses that lack relevance, diversity, and in many cases coherence. These shortcomings stem from the limited ability of common training objectives to…

计算与语言 · 计算机科学 2019-09-06 Oluwatobi Olabiyi , Erik T. Mueller , Christopher Larson , Tarek Lahlou

Diffusion- and flow-based generative models have recently demonstrated strong performance in protein backbone generation tasks, offering unprecedented capabilities for de novo protein design. However, while achieving notable performance in…

机器学习 · 计算机科学 2025-10-29 Liyang Xie , Haoran Zhang , Zhendong Wang , Wesley Tansey , Mingyuan Zhou

Recent text-to-image generation models have demonstrated incredible success in generating images that faithfully follow input prompts. However, the requirement of using words to describe a desired concept provides limited control over the…

计算机视觉与模式识别 · 计算机科学 2024-01-26 Senthil Purushwalkam , Akash Gokul , Shafiq Joty , Nikhil Naik

We propose a new score-based model with one-step sampling. Previously, score-based models were burdened with heavy computations due to iterative sampling. For substituting the iterative process, we train a standalone generator to compress…

计算机视觉与模式识别 · 计算机科学 2023-09-21 Senmao Ye , Fei Liu

Meta-learning empowers artificial intelligence to increase its efficiency by learning how to learn. Unlocking this potential involves overcoming a challenging meta-optimisation problem. We propose an algorithm that tackles this problem by…

机器学习 · 计算机科学 2022-03-17 Sebastian Flennerhag , Yannick Schroecker , Tom Zahavy , Hado van Hasselt , David Silver , Satinder Singh

Generative Adversarial Networks (GANs) have shown im-pressive results for image generation. However, GANs facechallenges in generating contents with certain types of con-straints, such as game levels. Specifically, it is difficult…

神经与进化计算 · 计算机科学 2019-10-04 Ruben Rodriguez Torrado , Ahmed Khalifa , Michael Cerny Green , Niels Justesen , Sebastian Risi , Julian Togelius

Text style transfer is an important task in controllable language generation. Supervised approaches have pushed performance improvement on style-oriented rewriting such as formality conversion. However, challenges remain due to the scarcity…

计算与语言 · 计算机科学 2022-05-20 Zhengyuan Liu , Nancy F. Chen

Language models for program synthesis are usually trained and evaluated on programming competition datasets (MBPP, APPS). However, these datasets are limited in size and quality, while these language models are extremely data hungry.…

软件工程 · 计算机科学 2025-07-23 Noah van der Vleuten

Many problems in science and engineering involve optimizing an expensive black-box function over a high-dimensional space. For such black-box optimization (BBO) problems, we typically assume a small budget for online function evaluations,…

机器学习 · 计算机科学 2023-08-22 Siddarth Krishnamoorthy , Satvik Mehul Mashkaria , Aditya Grover

Learning the structure of dependencies among multiple random variables is a problem of considerable theoretical and practical interest. Within the context of Bayesian Networks, a practical and surprisingly successful solution to this…

机器学习 · 计算机科学 2021-01-20 Giulio Caravagna , Daniele Ramazzotti

Score-based diffusion models have emerged as effective approaches for both conditional and unconditional generation. Still conditional generation is based on either a specific training of a conditional model or classifier guidance, which…

机器学习 · 计算机科学 2024-12-25 Davide Scassola , Sebastiano Saccani , Ginevra Carbone , Luca Bortolussi

Accurately annotating and controlling protein function from sequence data remains a major challenge, particularly within homologous families where annotated sequences are scarce and structural variation is minimal. We present a two-stage…

定量方法 · 定量生物学 2025-07-22 Lorenzo Rosset , Martin Weigt , Francesco Zamponi

The use of synthetically generated data for training models is becoming a common practice. While generated data can augment the training data, repeated training on synthetic data raises concerns about distribution drift and degradation of…

机器学习 · 计算机科学 2025-12-16 Daniil Zverev , A. Sophia Koepke , Joao F. Henriques

Classification is an important task in many fields including biomedical research and machine learning. Traditionally, a classification rule is constructed based a bunch of labeled data. Recently, due to technological innovation and…

统计方法学 · 统计学 2014-06-19 Jing Wang , Eunsik Park , Yuan-chin Ivan Chang

Machine learning models achieve state-of-the-art performance on many supervised learning tasks. However, prior evidence suggests that these models may learn to rely on shortcut biases or spurious correlations (intuitively, correlations that…

机器学习 · 计算机科学 2021-08-31 Sindhu C. M. Gowda , Shalmali Joshi , Haoran Zhang , Marzyeh Ghassemi

Large language model pipelines have improved automated fact-checking for complex claims, yet many approaches rely on few-shot in-context learning with demonstrations that require substantial human effort and domain expertise. Among these,…

人工智能 · 计算机科学 2025-08-04 Qisheng Hu , Quanyu Long , Wenya Wang

Designing RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Existing computational approaches require a substantial amount of previously known interacting RNA sequences for…

机器学习 · 计算机科学 2026-04-17 Roman Klypa , Alberto Bietti , Sergei Grudinin
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