Sen Song

Guan Wang, Jin Li, Yuhao Sun et al.

Reasoning, the process of devising and executing complex goal-oriented action sequences, remains a critical challenge in AI. Current large language models (LLMs) primarily employ Chain-of-Thought (CoT) techniques, which suffer from brittle task decomposition, extensive data requirements, and high latency. Inspired by the hierarchical and multi-timescale processing in the human brain, we propose the Hierarchical Reasoning Model (HRM), a novel recurrent architecture that attains significant computational depth while maintaining both training stability and efficiency. HRM executes sequential reasoning tasks in a single forward pass without explicit supervision of the intermediate process, through two interdependent recurrent modules: a high-level module responsible for slow, abstract planning, and a low-level module handling rapid, detailed computations. With only 27 million parameters, HRM achieves exceptional performance on complex reasoning tasks using only 1000 training samples. The model operates without pre-training or CoT data, yet achieves nearly perfect performance on challenging tasks including complex Sudoku puzzles and optimal path finding in large mazes. Furthermore, HRM outperforms much larger models with significantly longer context windows on the Abstraction and Reasoning Corpus (ARC), a key benchmark for measuring artificial general intelligence capabilities. These results underscore HRM's potential as a transformative advancement toward universal computation and general-purpose reasoning systems.

Jialiang Wu, Yi Shen, Sijia Liu et al.

Despite their impressive capacities, Large language models (LLMs) often struggle with the hallucination issue of generating inaccurate or fabricated content even when they possess correct knowledge. In this paper, we extend the exploration of the correlation between hidden-state prediction changes and output factuality into a deeper, token-wise level. Based on the insights , we propose cross-layer Entropy eNhanced Decoding (END), a decoding method that mitigates hallucinations without requiring extra training. END leverages inner probability changes across layers to individually quantify the factual knowledge required for each candidate token, and adjusts the final predicting distribution to prioritize tokens with higher factuality. Experiments on both hallucination and QA benchmarks demonstrate that END significantly enhances the truthfulness and informativeness of generated content while maintaining robust QA accuracy. Moreover, our work provides a deeper perspective on understanding the correlations between inherent knowledge and output factuality.

Xinke Shen, Lingyi Tao, Xuyang Chen et al.

Neural representations induced by naturalistic stimuli offer insights into how humans respond to stimuli in daily life. Understanding neural mechanisms underlying naturalistic stimuli processing hinges on the precise identification and extraction of the shared neural patterns that are consistently present across individuals. Targeting the Electroencephalogram (EEG) technique, known for its rich spatial and temporal information, this study presents a framework for Contrastive Learning of Shared SpatioTemporal EEG Representations across individuals (CL-SSTER). CL-SSTER utilizes contrastive learning to maximize the similarity of EEG representations across individuals for identical stimuli, contrasting with those for varied stimuli. The network employed spatial and temporal convolutions to simultaneously learn the spatial and temporal patterns inherent in EEG. The versatility of CL-SSTER was demonstrated on three EEG datasets, including a synthetic dataset, a natural speech comprehension EEG dataset, and an emotional video watching EEG dataset. CL-SSTER attained the highest inter-subject correlation (ISC) values compared to the state-of-the-art ISC methods. The latent representations generated by CL-SSTER exhibited reliable spatiotemporal EEG patterns, which can be explained by properties of the naturalistic stimuli. CL-SSTER serves as an interpretable and scalable framework for the identification of inter-subject shared neural representations in naturalistic neuroscience.

Xianggen Liu, Pengyong Li, Fandong Meng et al.

Optimization of discrete structures aims at generating a new structure with the better property given an existing one, which is a fundamental problem in machine learning. Different from the continuous optimization, the realistic applications of discrete optimization (e.g., text generation) are very challenging due to the complex and long-range constraints, including both syntax and semantics, in discrete structures. In this work, we present SAGS, a novel Simulated Annealing framework for Graph and Sequence optimization. The key idea is to integrate powerful neural networks into metaheuristics (e.g., simulated annealing, SA) to restrict the search space in discrete optimization. We start by defining a sophisticated objective function, involving the property of interest and pre-defined constraints (e.g., grammar validity). SAGS searches from the discrete space towards this objective by performing a sequence of local edits, where deep generative neural networks propose the editing content and thus can control the quality of editing. We evaluate SAGS on paraphrase generation and molecule generation for sequence optimization and graph optimization, respectively. Extensive results show that our approach achieves state-of-the-art performance compared with existing paraphrase generation methods in terms of both automatic and human evaluations. Further, SAGS also significantly outperforms all the previous methods in molecule generation.

Xinke Shen, Xianggen Liu, Xin Hu et al.

EEG signals have been reported to be informative and reliable for emotion recognition in recent years. However, the inter-subject variability of emotion-related EEG signals still poses a great challenge for the practical applications of EEG-based emotion recognition. Inspired by recent neuroscience studies on inter-subject correlation, we proposed a Contrastive Learning method for Inter-Subject Alignment (CLISA) to tackle the cross-subject emotion recognition problem. Contrastive learning was employed to minimize the inter-subject differences by maximizing the similarity in EEG signal representations across subjects when they received the same emotional stimuli in contrast to different ones. Specifically, a convolutional neural network was applied to learn inter-subject aligned spatiotemporal representations from EEG time series in contrastive learning. The aligned representations were subsequently used to extract differential entropy features for emotion classification. CLISA achieved state-of-the-art cross-subject emotion recognition performance on our THU-EP dataset with 80 subjects and the publicly available SEED dataset with 15 subjects. It could generalize to unseen subjects or unseen emotional stimuli in testing. Furthermore, the spatiotemporal representations learned by CLISA could provide insights into the neural mechanisms of human emotion processing.

Pengyong Li, Jun Wang, Yixuan Qiao et al.

How to produce expressive molecular representations is a fundamental challenge in AI-driven drug discovery. Graph neural network (GNN) has emerged as a powerful technique for modeling molecular data. However, previous supervised approaches usually suffer from the scarcity of labeled data and have poor generalization capability. Here, we proposed a novel Molecular Pre-training Graph-based deep learning framework, named MPG, that leans molecular representations from large-scale unlabeled molecules. In MPG, we proposed a powerful MolGNet model and an effective self-supervised strategy for pre-training the model at both the node and graph-level. After pre-training on 11 million unlabeled molecules, we revealed that MolGNet can capture valuable chemistry insights to produce interpretable representation. The pre-trained MolGNet can be fine-tuned with just one additional output layer to create state-of-the-art models for a wide range of drug discovery tasks, including molecular properties prediction, drug-drug interaction, and drug-target interaction, involving 13 benchmark datasets. Our work demonstrates that MPG is promising to become a novel approach in the drug discovery pipeline.

Xianggen Liu, Yunan Luo, Sen Song et al.

Modeling the effects of mutations on the binding affinity plays a crucial role in protein engineering and drug design. In this study, we develop a novel deep learning based framework, named GraphPPI, to predict the binding affinity changes upon mutations based on the features provided by a graph neural network (GNN). In particular, GraphPPI first employs a well-designed pre-training scheme to enforce the GNN to capture the features that are predictive of the effects of mutations on binding affinity in an unsupervised manner and then integrates these graphical features with gradient-boosting trees to perform the prediction. Experiments showed that, without any annotated signals, GraphPPI can capture meaningful patterns of the protein structures. Also, GraphPPI achieved new state-of-the-art performance in predicting the binding affinity changes upon both single- and multi-point mutations on five benchmark datasets. In-depth analyses also showed GraphPPI can accurately estimate the effects of mutations on the binding affinity between SARS-CoV-2 and its neutralizing antibodies. These results have established GraphPPI as a powerful and useful computational tool in the studies of protein design.

Xianggen Liu, Lili Mou, Fandong Meng et al.

Unsupervised paraphrase generation is a promising and important research topic in natural language processing. We propose UPSA, a novel approach that accomplishes Unsupervised Paraphrasing by Simulated Annealing. We model paraphrase generation as an optimization problem and propose a sophisticated objective function, involving semantic similarity, expression diversity, and language fluency of paraphrases. Then, UPSA searches the sentence space towards this objective by performing a sequence of local editing. Our method is unsupervised and does not require parallel corpora for training, so it could be easily applied to different domains. We evaluate our approach on a variety of benchmark datasets, namely, Quora, Wikianswers, MSCOCO, and Twitter. Extensive results show that UPSA achieves the state-of-the-art performance compared with previous unsupervised methods in terms of both automatic and human evaluations. Further, our approach outperforms most existing domain-adapted supervised models, showing the generalizability of UPSA.

Yukun Yan, Daqi Zheng, Zhengdong Lu et al.

Structural information is important in natural language understanding. Although some current neural net-based models have a limited ability to take local syntactic information, they fail to use high-level and large-scale structures of documents. This information is valuable for text understanding since it contains the author's strategy to express information, in building an effective representation and forming appropriate output modes. We propose a neural net-based model, Zooming Network, capable of representing and leveraging text structure of long document and developing its own analyzing rhythm to extract critical information. Generally, ZN consists of an encoding neural net that can build a hierarchical representation of a document, and an interpreting neural model that can read the information at multi-levels and issuing labeling actions through a policy-net. Our model is trained with a hybrid paradigm of supervised learning (distinguishing right and wrong decision) and reinforcement learning (determining the goodness among multiple right paths). We applied the proposed model to long text sequence labeling tasks, with performance exceeding baseline model (biLSTM-crf) by 10 F1-measure.

Xianggen Liu, Lili Mou, Haotian Cui et al.

In early years, text classification is typically accomplished by feature-based machine learning models; recently, deep neural networks, as a powerful learning machine, make it possible to work with raw input as the text stands. However, exiting end-to-end neural networks lack explicit interpretation of the prediction. In this paper, we propose a novel framework, JUMPER, inspired by the cognitive process of text reading, that models text classification as a sequential decision process. Basically, JUMPER is a neural system that scans a piece of text sequentially and makes classification decisions at the time it wishes. Both the classification result and when to make the classification are part of the decision process, which is controlled by a policy network and trained with reinforcement learning. Experimental results show that a properly trained JUMPER has the following properties: (1) It can make decisions whenever the evidence is enough, therefore reducing total text reading by 30-40% and often finding the key rationale of prediction. (2) It achieves classification accuracy better than or comparable to state-of-the-art models in several benchmark and industrial datasets.

Fangzhou Liao, Ming Liang, Zhe Li et al.

Automatic diagnosing lung cancer from Computed Tomography (CT) scans involves two steps: detect all suspicious lesions (pulmonary nodules) and evaluate the whole-lung/pulmonary malignancy. Currently, there are many studies about the first step, but few about the second step. Since the existence of nodule does not definitely indicate cancer, and the morphology of nodule has a complicated relationship with cancer, the diagnosis of lung cancer demands careful investigations on every suspicious nodule and integration of information of all nodules. We propose a 3D deep neural network to solve this problem. The model consists of two modules. The first one is a 3D region proposal network for nodule detection, which outputs all suspicious nodules for a subject. The second one selects the top five nodules based on the detection confidence, evaluates their cancer probabilities and combines them with a leaky noisy-or gate to obtain the probability of lung cancer for the subject. The two modules share the same backbone network, a modified U-net. The over-fitting caused by the shortage of training data is alleviated by training the two modules alternately. The proposed model won the first place in the Data Science Bowl 2017 competition. The code has been made publicly available.

Yukun Yan, Daqi Zheng, Zhengdong Lu et al.

We propose scale-free Identifier Network(sfIN), a novel model for event identification in documents. In general, sfIN first encodes a document into multi-scale memory stacks, then extracts special events via conducting multi-scale actions, which can be considered as a special type of sequence labelling. The design of large scale actions makes it more efficient processing a long document. The whole model is trained with both supervised learning and reinforcement learning.

Fangzhou Liao, Xi Chen, Xiaolin Hu et al.

Segmenting human left ventricle (LV) in magnetic resonance imaging (MRI) images and calculating its volume are important for diagnosing cardiac diseases. In 2016, Kaggle organized a competition to estimate the volume of LV from MRI images. The dataset consisted of a large number of cases, but only provided systole and diastole volumes as labels. We designed a system based on neural networks to solve this problem. It began with a detector combined with a neural network classifier for detecting regions of interest (ROIs) containing LV chambers. Then a deep neural network named hypercolumns fully convolutional network was used to segment LV in ROIs. The 2D segmentation results were integrated across different images to estimate the volume. With ground-truth volume labels, this model was trained end-to-end. To improve the result, an additional dataset with only segmentation label was used. The model was trained alternately on these two datasets with different types of teaching signals. We also proposed a variance estimation method for the final prediction. Our algorithm ranked the 4th on the test set in this competition.

Zhaofei Yu, David Kappel, Robert Legenstein et al.

Synaptic plasticity is implemented and controlled through over thousand different types of molecules in the postsynaptic density and presynaptic boutons that assume a staggering array of different states through phosporylation and other mechanisms. One of the most prominent molecule in the postsynaptic density is CaMKII, that is described in molecular biology as a "memory molecule" that can integrate through auto-phosporylation Ca-influx signals on a relatively large time scale of dozens of seconds. The functional impact of this memory mechanism is largely unknown. We show that the experimental data on the specific role of CaMKII activation in dopamine-gated spine consolidation suggest a general functional role in speeding up reward-guided search for network configurations that maximize reward expectation. Our theoretical analysis shows that stochastic search could in principle even attain optimal network configurations by emulating one of the most well-known nonlinear optimization methods, simulated annealing. But this optimization is usually impeded by slowness of stochastic search at a given temperature. We propose that CaMKII contributes a momentum term that substantially speeds up this search. In particular, it allows the network to overcome saddle points of the fitness function. The resulting improved stochastic policy search can be understood on a more abstract level as Hamiltonian sampling, which is known to be one of the most efficient stochastic search methods.

Qian Wang, Jiaxing Zhang, Sen Song et al.

Attentional Neural Network is a new framework that integrates top-down cognitive bias and bottom-up feature extraction in one coherent architecture. The top-down influence is especially effective when dealing with high noise or difficult segmentation problems. Our system is modular and extensible. It is also easy to train and cheap to run, and yet can accommodate complex behaviors. We obtain classification accuracy better than or competitive with state of art results on the MNIST variation dataset, and successfully disentangle overlaid digits with high success rates. We view such a general purpose framework as an essential foundation for a larger system emulating the cognitive abilities of the whole brain.