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We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm capable of…

The cost efficiency of model inference is critical to real-world machine learning (ML) applications, especially for delay-sensitive tasks and resource-limited devices. A typical dilemma is: in order to provide complex intelligent services…

Artificial Intelligence · Computer Science 2023-06-08 Mu Yuan , Lan Zhang , Zimu Zheng , Yi-Nan Zhang , Xiang-Yang Li

Fully nonparametric methods for regression from functional data have poor accuracy from a statistical viewpoint, reflecting the fact that their convergence rates are slower than nonparametric rates for the estimation of high-dimensional…

Statistics Theory · Mathematics 2012-11-22 Dong Chen , Peter Hall , Hans-Georg Müller

We develop pre-trained estimators for structural econometric models. The estimator uses a neural net to recognize the structural model's parameter from data patterns. Once trained, the estimator can be shared and applied to different…

Econometrics · Economics 2025-12-01 Yanhao 'Max' Wei , Zhenling Jiang

Many web systems rank and present a list of items to users, from recommender systems to search and advertising. An important problem in practice is to evaluate new ranking policies offline and optimize them before they are deployed. We…

Machine Learning · Computer Science 2018-06-15 Shuai Li , Yasin Abbasi-Yadkori , Branislav Kveton , S. Muthukrishnan , Vishwa Vinay , Zheng Wen

Many cognitive neuroscience studies use large feature sets to predict and interpret brain activity patterns. Feature sets take many forms, from human stimulus annotations to representations in deep neural networks. Of crucial importance in…

Neurons and Cognition · Quantitative Biology 2022-12-07 Anna A. Ivanova , Martin Schrimpf , Stefano Anzellotti , Noga Zaslavsky , Evelina Fedorenko , Leyla Isik

Extracting a proper dynamic network for modelling a time-dependent complex system is an important issue. Building a correct model is related to finding out critical time points where a system exhibits considerable change. In this work, we…

Social and Information Networks · Computer Science 2022-06-28 Günce Keziban Orman , Nadir Türe , Selim Balcisoy , Hasan Alp Boz

Models for predicting the time of a future event are crucial for risk assessment, across a diverse range of applications. Existing time-to-event (survival) models have focused primarily on preserving pairwise ordering of estimated event…

Machine Learning · Statistics 2021-01-14 Paidamoyo Chapfuwa , Chenyang Tao , Lawrence Carin , Ricardo Henao

Large language models (LLMs) power many state-of-the-art systems in natural language processing. However, these models are extremely computationally expensive, even at inference time, raising the natural question: when is the extra cost of…

Machine Learning · Computer Science 2023-05-05 Deepak Narayanan , Keshav Santhanam , Peter Henderson , Rishi Bommasani , Tony Lee , Percy Liang

Web-based applications such as chatbots, search engines and news recommendations continue to grow in scale and complexity with the recent surge in the adoption of LLMs. Online model selection has thus garnered increasing attention due to…

Machine Learning · Computer Science 2024-03-13 Yu Xia , Fang Kong , Tong Yu , Liya Guo , Ryan A. Rossi , Sungchul Kim , Shuai Li

Deep-learning models such as Convolutional Neural Networks (CNN) and Long Short-Term Memory (LSTM) have been successfully used for process-mining tasks. They have achieved better performance for different predictive tasks than traditional…

Machine Learning · Computer Science 2021-05-04 Ishwar Venugopal , Jessica Töllich , Michael Fairbank , Ansgar Scherp

In this paper we propose a novel end-to-end learnable network that performs joint perception, prediction and motion planning for self-driving vehicles and produces interpretable intermediate representations. Unlike existing neural motion…

Robotics · Computer Science 2020-08-14 Abbas Sadat , Sergio Casas , Mengye Ren , Xinyu Wu , Pranaab Dhawan , Raquel Urtasun

In many recent applications, data is plentiful. By now, we have a rather clear understanding of how more data can be used to improve the accuracy of learning algorithms. Recently, there has been a growing interest in understanding how more…

Machine Learning · Computer Science 2011-06-16 Shai Shalev-Shwartz , Ohad Shamir , Eran Tromer

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

Language model alignment (or, reinforcement learning) techniques that leverage active exploration -- deliberately encouraging the model to produce diverse, informative responses -- offer the promise of super-human capabilities. However,…

Machine Learning · Computer Science 2025-03-17 Dylan J. Foster , Zakaria Mhammedi , Dhruv Rohatgi

The wide applicability of pretrained transformer models (PTMs) for natural language tasks is well demonstrated, but their ability to comprehend short phrases of text is less explored. To this end, we evaluate different PTMs from the lens of…

Computation and Language · Computer Science 2021-12-16 Sai Muralidhar Jayanthi , Varsha Embar , Karthik Raghunathan

A principled approach to understand network structures is to formulate generative models. Given a collection of models, however, an outstanding key task is to determine which one provides a more accurate description of the network at hand,…

Machine Learning · Statistics 2018-06-29 Toni Vallès-Català , Tiago P. Peixoto , Roger Guimerà , Marta Sales-Pardo

Binding affinity optimization is crucial in early-stage drug discovery. While numerous machine learning methods exist for predicting ligand potency, their comparative efficacy remains unclear. This study evaluates the performance of…

Biomolecules · Quantitative Biology 2024-07-30 Nikolai Schapin , Carles Navarro , Albert Bou , Gianni De Fabritiis

The standard evaluation protocol for measuring the quality of Knowledge Graph Completion methods - the task of inferring new links to be added to a graph - typically involves a step which ranks every entity of a Knowledge Graph to assess…

Artificial Intelligence · Computer Science 2024-02-02 Filip Cornell , Yifei Jin , Jussi Karlgren , Sarunas Girdzijauskas

Recent progress in deep learning has been driven by increasingly larger models. However, their computational and energy demands have grown proportionally, creating significant barriers to their deployment and to a wider adoption of deep…

Machine Learning · Computer Science 2025-09-16 Pedro Savarese
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