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In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal…

Machine Learning · Computer Science 2025-10-31 Chengxin Hu , Hao Li , Yihe Yuan , Zezheng Song , Chenyang Zhao , Haixin Wang

Meta-learning (a.k.a. learning to learn) has recently emerged as a promising paradigm for a variety of applications. There are now many meta-learning methods, each focusing on different modeling aspects of base and meta learners, but all…

Machine Learning · Computer Science 2020-09-29 Yaohua Liu , Risheng Liu

Predicting multiple heterogeneous biological and medical targets is a challenge for traditional deep learning models. In contrast to single-task learning, in which a separate model is trained for each target, multi-task learning (MTL)…

Machine Learning · Computer Science 2022-05-31 Raquel Aoki , Frederick Tung , Gabriel L. Oliveira

This paper describes a practical approach of using supervised machine learning (ML) models to assist safety investigators to classify aviation occurrences into either incident or serious incident categories. Our implementation currently…

Machine Learning · Computer Science 2025-04-15 Bryan Y. Siow

The model-based reinforcement learning paradigm, which uses planning algorithms and neural network models, has recently achieved unprecedented results in diverse applications, leading to what is now known as deep reinforcement learning.…

Machine Learning · Computer Science 2022-01-11 Tiago Gaspar Oliveira , Arlindo L. Oliveira

Parallel sampling promises substantial gains in test-time scaling, but its effectiveness is sharply limited by diversity collapse, where models concentrate on a few modes and repeated samples produce the same mistakes. We propose the…

Machine Learning · Computer Science 2025-12-02 Chen Henry Wu , Sachin Goyal , Aditi Raghunathan

Despite the extent of recent advances in Machine Learning (ML) and Neural Networks, providing formal guarantees on the behavior of these systems is still an open problem, and a crucial requirement for their adoption in regulated or…

Machine Learning · Computer Science 2024-10-01 Matteo Francobaldi , Michele Lombardi

Mixed-Integer Linear Programming (MILP) is a fundamental and powerful framework for modeling complex optimization problems across diverse domains. Recently, learning-based methods have shown great promise in accelerating MILP solvers by…

Machine Learning · Computer Science 2025-11-05 Tianle Pu , Zijie Geng , Haoyang Liu , Shixuan Liu , Jie Wang , Li Zeng , Chao Chen , Changjun Fan

The application of visual instruction tuning and other post-training techniques has significantly enhanced the capabilities of Large Language Models (LLMs) in visual understanding, enriching Vision-Language Models (VLMs) with more…

Computer Vision and Pattern Recognition · Computer Science 2025-06-11 Mingjie Xu , Andrew Estornell , Hongzheng Yang , Yuzhi Zhao , Zhaowei Zhu , Qi Xuan , Jiaheng Wei

Online learning to rank (OLTR) interactively learns to choose lists of items from a large collection based on certain click models that describe users' click behaviors. Most recent works for this problem focus on the stochastic environment…

Machine Learning · Computer Science 2022-07-13 Cheng Chen , Canzhe Zhao , Shuai Li

Multi-task learning (MTL) has achieved success over a wide range of problems, where the goal is to improve the performance of a primary task using a set of relevant auxiliary tasks. However, when the usefulness of the auxiliary tasks w.r.t.…

Computation and Language · Computer Science 2019-04-09 Han Guo , Ramakanth Pasunuru , Mohit Bansal

Numerous challenges in science and engineering can be framed as optimization tasks, including the maximization of reaction yields, the optimization of molecular and materials properties, and the fine-tuning of automated hardware protocols.…

Optimization and Control · Mathematics 2021-11-19 Matteo Aldeghi , Florian Häse , Riley J. Hickman , Isaac Tamblyn , Alán Aspuru-Guzik

In a multi-task learning (MTL) setting, a single model is trained to tackle a diverse set of tasks jointly. Despite rapid progress in the field, MTL remains challenging due to optimization issues such as conflicting and dominating…

Computer Vision and Pattern Recognition · Computer Science 2023-05-31 Dmitry Senushkin , Nikolay Patakin , Arseny Kuznetsov , Anton Konushin

We address the task of controlled generation of small molecules, which entails finding novel molecules with desired properties under certain constraints (e.g., similarity to a reference molecule). Here we introduce MolMIM, a probabilistic…

Machine Learning · Computer Science 2023-03-31 Danny Reidenbach , Micha Livne , Rajesh K. Ilango , Michelle Gill , Johnny Israeli

Large Language Models (LLMs) are rapidly saturating existing benchmarks, necessitating new open-ended evaluations. We introduce the Factorio Learning Environment (FLE), based on the game of Factorio, that tests agents in long-term planning,…

Multiagent Systems · Computer Science 2025-03-14 Jack Hopkins , Mart Bakler , Akbir Khan

Multi-task learning (MTL) enables the efficient transfer of extra knowledge acquired from other tasks. The high correlation between multimodal sentiment analysis (MSA) and multimodal emotion recognition (MER) supports their joint training.…

Artificial Intelligence · Computer Science 2025-05-21 Shuo Zhang , Jinsong Zhang , Zhejun Zhang , Lei Li

Multimodal multi-objective problems (MMOPs) commonly arise in real-world problems where distant solutions in decision space correspond to very similar objective values. To obtain all solutions for MMOPs, many multimodal multi-objective…

Neural and Evolutionary Computing · Computer Science 2023-01-31 Wenhua Li , Tao Zhang , Rui Wang , Jing Liang

Imitation learning has enabled robots to perform complex, long-horizon tasks in challenging dexterous manipulation settings. As new methods are developed, they must be rigorously evaluated and compared against corresponding baselines…

Algorithm selection and hyperparameter tuning remain two of the most challenging tasks in machine learning. Automated machine learning (AutoML) seeks to automate these tasks to enable widespread use of machine learning by non-experts. This…

Machine Learning · Computer Science 2019-05-22 Chengrun Yang , Yuji Akimoto , Dae Won Kim , Madeleine Udell

While intelligent tutoring systems (ITSs) can use information from past students to personalize instruction, each new student is unique. Moreover, the education problem is inherently difficult because the learning process is only partially…

Machine Learning · Computer Science 2025-11-20 Jeffrey Jiang , Kevin Hong , Emily Kuczynski , Gregory Pottie