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The goal of protein design is to generate amino acid sequences that fold into functional structures with desired properties. Prior methods combining autoregressive language models with Monte Carlo Tree Search (MCTS) struggle with long-range…

Machine Learning · Computer Science 2026-02-25 Xuefeng Liu , Mingxuan Cao , Songhao Jiang , Xiao Luo , Xiaotian Duan , Mengdi Wang , Tobin R. Sosnick , Jinbo Xu , Rick Stevens

Monte Carlo Tree Search (MCTS) based methods provide promising approaches for generating synthetic data to enhance the self-training of Large Language Model (LLM) based multi-agent systems (MAS). These methods leverage Q-values to estimate…

Computation and Language · Computer Science 2026-04-27 Wentao Shi , Zichun Yu , Fuli Feng , Xiangnan He , Chenyan Xiong

Solving jigsaw puzzles requires to grasp the visual features of a sequence of patches and to explore efficiently a solution space that grows exponentially with the sequence length. Therefore, visual deep reinforcement learning (DRL) should…

Computer Vision and Pattern Recognition · Computer Science 2023-02-02 Marie-Morgane Paumard , Hedi Tabia , David Picard

In this paper we explore how machine learning techniques can be applied to the discovery of efficient mathematical identities. We introduce an attribute grammar framework for representing symbolic expressions. Given a set of grammar rules…

Machine Learning · Computer Science 2014-11-07 Wojciech Zaremba , Karol Kurach , Rob Fergus

New technology for energy storage is necessary for the large-scale adoption of renewable energy sources like wind and solar. The ability to discover suitable catalysts is crucial for making energy storage more cost-effective and scalable.…

Chemical Physics · Physics 2024-04-17 Patrick Geitner

Monte Carlo Tree Search (MCTS) efficiently balances exploration and exploitation in tree search based on count-derived uncertainty. However, these local visit counts ignore a second type of uncertainty induced by the size of the subtree…

Artificial Intelligence · Computer Science 2020-05-21 Thomas M Moerland , Joost Broekens , Aske Plaat , Catholijn M Jonker

The performance of Neural Machine Translation (NMT) systems often suffers in low-resource scenarios where sufficiently large-scale parallel corpora cannot be obtained. Pre-trained word embeddings have proven to be invaluable for improving…

Computation and Language · Computer Science 2018-04-19 Ye Qi , Devendra Singh Sachan , Matthieu Felix , Sarguna Janani Padmanabhan , Graham Neubig

In many applications of computer algebra large expressions must be simplified to make repeated numerical evaluations tractable. Previous works presented heuristically guided improvements, e.g., for Horner schemes. The remaining expression…

Artificial Intelligence · Computer Science 2013-12-04 Ben Ruijl , Jos Vermaseren , Aske Plaat , Jaap van den Herik

Deep learning recommendation models (DLRMs) are widely used in industry, and their memory capacity requirements reach the terabyte scale. Tiered memory architectures provide a cost-effective solution but introduce challenges in…

Performance · Computer Science 2025-11-12 Jie Ren , Bin Ma , Shuangyan Yang , Benjamin Francis , Ehsan K. Ardestani , Min Si , Dong Li

Monte Carlo Tree Search (MCTS) algorithms have achieved great success on many challenging benchmarks (e.g., Computer Go). However, they generally require a large number of rollouts, making their applications costly. Furthermore, it is also…

Machine Learning · Computer Science 2020-02-27 Anji Liu , Jianshu Chen , Mingze Yu , Yu Zhai , Xuewen Zhou , Ji Liu

Recent advances in large language models have demonstrated considerable potential in scientific domains such as drug repositioning. However, their effectiveness remains constrained when reasoning extends beyond the knowledge acquired during…

Artificial Intelligence · Computer Science 2025-08-01 Zerui Yang , Yuwei Wan , Siyu Yan , Yudai Matsuda , Tong Xie , Bram Hoex , Linqi Song

Embedding-based retrieval (EBR) methods are widely used in modern recommender systems thanks to its simplicity and effectiveness. However, along the journey of deploying and iterating on EBR in production, we still identify some fundamental…

Information Retrieval · Computer Science 2023-02-07 Yuan Zhang , Xue Dong , Weijie Ding , Biao Li , Peng Jiang , Kun Gai

Deep neural networks have been proven powerful at processing perceptual data, such as images and audio. However for tabular data, tree-based models are more popular. A nice property of tree-based models is their natural interpretability. In…

Machine Learning · Computer Science 2018-06-20 Yongxin Yang , Irene Garcia Morillo , Timothy M. Hospedales

Iterative methods for computing matrix functions have been extensively studied and their convergence speed can be significantly improved with the right tuning of parameters and by mixing different iteration types. Handtuning the design…

Machine Learning · Computer Science 2025-07-17 Sungyoon Kim , Rajat Vadiraj Dwaraknath , Longling geng , Mert Pilanci

Multimodal Large Language Models (MLLMs) have shown immense promise in universal multimodal retrieval, which aims to find relevant items of various modalities for a given query. But their practical application is often hindered by the…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Qi Li , Yanzhe Zhao , Yongxin Zhou , Yameng Wang , Yandong Yang , Yuanjia Zhou , Jue Wang , Zuojian Wang , Jinxiang Liu

We consider task and motion planning in complex dynamic environments for problems expressed in terms of a set of Linear Temporal Logic (LTL) constraints, and a reward function. We propose a methodology based on reinforcement learning that…

Robotics · Computer Science 2017-03-24 Chris Paxton , Vasumathi Raman , Gregory D. Hager , Marin Kobilarov

Large Multimodal Models (LMMs) exhibit remarkable multi-tasking ability by learning mixed instruction datasets. However, novel tasks would be encountered sequentially in dynamic world, which urges for equipping LMMs with multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Fanhu Zeng , Fei Zhu , Haiyang Guo , Xu-Yao Zhang , Cheng-Lin Liu

Designing effective neural networks is fundamentally important in deep multimodal learning. Most existing works focus on a single task and design neural architectures manually, which are highly task-specific and hard to generalize to…

Computer Vision and Pattern Recognition · Computer Science 2020-10-13 Zhou Yu , Yuhao Cui , Jun Yu , Meng Wang , Dacheng Tao , Qi Tian

Bayesian Neural Networks(BNNs) with high-dimensional parameters pose a challenge for posterior inference due to the multi-modality of the posterior distributions. Stochastic Gradient MCMC(SGMCMC) with cyclical learning rate scheduling is a…

Machine Learning · Computer Science 2024-08-20 SeungHyun Kim , Seohyeon Jung , Seonghyeon Kim , Juho Lee

Implicit neural networks are a general class of learning models that replace the layers in traditional feedforward models with implicit algebraic equations. Compared to traditional learning models, implicit networks offer competitive…

Machine Learning · Computer Science 2021-12-13 Saber Jafarpour , Matthew Abate , Alexander Davydov , Francesco Bullo , Samuel Coogan
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