相关论文: ActPC-Chem: Discrete Active Predictive Coding for …

A novel framework for designing the molecular structure of chemical compounds with a desired chemical property has recently been proposed. The framework infers a desired chemical graph by solving a mixed integer linear program (MILP) that…

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited…

Various automatic curriculum learning (ACL) methods have been proposed to improve the sample efficiency and final performance of deep reinforcement learning (DRL). They are designed to control how a DRL agent collects data, which is…

In this paper, we propose a neural-based coding scheme in which an artificial neural network is exploited to automatically compress and decompress speech signals by a trainable approach. Having a two-stage training phase, the system can be…

An introduction to the OpenCog Hyperon framework for Artificiai General Intelligence is presented. Hyperon is a new, mostly from-the-ground-up rewrite/redesign of the OpenCog AGI framework, based on similar conceptual and cognitive…

Backpropagation of error (backprop) is a powerful algorithm for training machine learning architectures through end-to-end differentiation. However, backprop is often criticised for lacking biological plausibility. Recently, it has been…

Retrosynthesis analysis is pivotal yet challenging in drug discovery and organic chemistry. Despite the proliferation of computational tools over the past decade, AI-based systems often fall short in generalizing across diverse reaction…

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

Current theoretical and computational models of dopamine-based reinforcement learning are largely rooted in the classical behaviorist tradition, and envision the organism as a purely reactive recipient of rewards and punishments, with…

Predictive coding networks are neuroscience-inspired models with roots in both Bayesian statistics and neuroscience. Training such models, however, is quite inefficient and unstable. In this work, we show how by simply changing the temporal…

Agentic reinforcement learning trains large language models using multi-turn trajectories that interleave long reasoning traces with short environment-facing actions. Common policy-gradient methods, such as PPO and GRPO, treat each token in…

Equipping agents with memory is essential for solving real-world long-horizon problems. However, most existing agent memory mechanisms rely on static and hand-crafted workflows. This limits the performance and generalization ability of…

Training with backpropagation (BP) in standard deep learning consists of two main steps: a forward pass that maps a data point to its prediction, and a backward pass that propagates the error of this prediction back through the network.…

Predictive coding (PC) is an influential theory in computational neuroscience, which argues that the cortex forms unsupervised world models by implementing a hierarchical process of prediction error minimization. PC networks (PCNs) are…

Large Language Model (LLM)-based agents exhibit systemic failures in compositional generalization, limiting their robustness in interactive environments. This work introduces AGEL-Comp, a neuro-symbolic AI agent architecture designed to…

It is crucial to ask how agents can achieve goals by generating action plans using only partial models of the world acquired through habituated sensory-motor experiences. Although many existing robotics studies use a forward model…

We propose Kernel Predictive Control (KPC), a learning-based predictive control strategy that enjoys deterministic guarantees of safety. Noise-corrupted samples of the unknown system dynamics are used to learn several models through the…

Artificial intelligence is reshaping scientific discovery, yet its use in materials research remains limited by fragmented computational ecosystems, reproducibility challenges, and dependence on commercial large language models (LLMs). Here…

Despite advances in Reinforcement Learning, many sequential decision making tasks remain prohibitively expensive and impractical to learn. Recently, approaches that automatically generate reward functions from logical task specifications…

Real-world artificial intelligence (AI) systems are increasingly required to operate autonomously in dynamic, uncertain, and continuously changing environments. However, most existing AI models rely on predefined objectives, static training…