Hao Zhang

Yushi Cao, Zhiming Li, Tianpei Yang et al.

Despite achieving superior performance in human-level control problems, unlike humans, deep reinforcement learning (DRL) lacks high-order intelligence (e.g., logic deduction and reuse), thus it behaves ineffectively than humans regarding learning and generalization in complex problems. Previous works attempt to directly synthesize a white-box logic program as the DRL policy, manifesting logic-driven behaviors. However, most synthesis methods are built on imperative or declarative programming, and each has a distinct limitation, respectively. The former ignores the cause-effect logic during synthesis, resulting in low generalizability across tasks. The latter is strictly proof-based, thus failing to synthesize programs with complex hierarchical logic. In this paper, we combine the above two paradigms together and propose a novel Generalizable Logic Synthesis (GALOIS) framework to synthesize hierarchical and strict cause-effect logic programs. GALOIS leverages the program sketch and defines a new sketch-based hybrid program language for guiding the synthesis. Based on that, GALOIS proposes a sketch-based program synthesis method to automatically generate white-box programs with generalizable and interpretable cause-effect logic. Extensive evaluations on various decision-making tasks with complex logic demonstrate the superiority of GALOIS over mainstream baselines regarding the asymptotic performance, generalizability, and great knowledge reusability across different environments.

Xiuyuan Hu, Guoqing Liu, Yang Zhao et al. · tsinghua

De novo drug design is a pivotal issue in pharmacology and a new area of focus in AI for science research. A central challenge in this field is to generate molecules with specific properties while also producing a wide range of diverse candidates. Although advanced technologies such as transformer models and reinforcement learning have been applied in drug design, their potential has not been fully realized. Therefore, we propose MolRL-MGPT, a reinforcement learning algorithm with multiple GPT agents for drug molecular generation. To promote molecular diversity, we encourage the agents to collaborate in searching for desirable molecules in diverse directions. Our algorithm has shown promising results on the GuacaMol benchmark and exhibits efficacy in designing inhibitors against SARS-CoV-2 protein targets. The codes are available at: https://github.com/HXYfighter/MolRL-MGPT.

Dayang Wang, Feng-Lei Fan, Bo-Jian Hou et al.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, \textit{e}.\textit{g}., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in \url{https://github.com/wdayang/Manifoldron} for free download and evaluation.

Xue Yang, Fei Han, Hua Wang et al.

Sparse representation has been widely studied in visual tracking, which has shown promising tracking performance. Despite a lot of progress, the visual tracking problem is still a challenging task due to appearance variations over time. In this paper, we propose a novel sparse tracking algorithm that well addresses temporal appearance changes, by enforcing template representability and temporal consistency (TRAC). By modeling temporal consistency, our algorithm addresses the issue of drifting away from a tracking target. By exploring the templates' long-term-short-term representability, the proposed method adaptively updates the dictionary using the most descriptive templates, which significantly improves the robustness to target appearance changes. We compare our TRAC algorithm against the state-of-the-art approaches on 12 challenging benchmark image sequences. Both qualitative and quantitative results demonstrate that our algorithm significantly outperforms previous state-of-the-art trackers.