Decoding non-invasive brain recordings is pivotal for advancing our understanding of human cognition but faces challenges due to individual differences and complex neural signal representations. Traditional methods often require customized models and extensive trials, lacking interpretability in visual reconstruction tasks.

Social dynamics is concerned primarily with interactions among individuals and the resulting group behaviors, modeling the temporal evolution of social systems via the interactions of individuals within these systems. In particular, the availability of large-scale data from social networks and sensor networks offers an unprecedented opportunity to predict state-changing events at the individual level. Examples of such events include disease transmission, opinion transition in elections, and rumor propagation. Unlike previous research focusing on the collective effects of social systems, this study makes efficient inferences at the individual level. In order to cope with dynamic interactions among a large number of individuals, we introduce the stochastic kinetic model to capture adaptive transition probabilities and propose an efficient variational inference algorithm the complexity of which grows linearly -- rather than exponentially-- with the number of individuals.

For completeness, in the following we include a datasheet based on the format of [1]. For what purpose was the dataset created? Was there a specific task in mind? Who created the dataset (e.g., which team, research group) and on behalf of which entity What do the instances that comprise the dataset represent (e.g., documents, photos, people, How many instances are there in total (of each type, if appropriate)? What data does each instance consist of?

Structure-based drug design (SBDD), which aims to generate 3D ligand molecules binding to target proteins, is a fundamental task in drug discovery. Existing SBDD methods typically treat protein as rigid and neglect protein structural change when binding with ligand molecules, leading to a big gap with real-world scenarios and inferior generation qualities (e.g., many steric clashes). To bridge the gap, we propose FlexSBDD, a deep generative model capable of accurately modeling the flexible protein-ligand complex structure for ligand molecule generation. FlexSBDD adopts an efficient flow matching framework and leverages E(3)-equivariant network with scalar-vector dual representation to model dynamic structural changes. Moreover, novel data augmentation schemes based on structure relaxation/sidechain repacking are adopted to boost performance. Extensive experiments demonstrate that FlexS-BDD achieves state-of-the-art performance in generating high-affinity molecules and effectively modeling the protein's conformation change to increase favorable protein-ligand interactions (e.g., Hydrogen bonds) and decrease steric clashes.

Molecular relational learning (MRL) is crucial for understanding the interaction behaviors between molecular pairs, a critical aspect of drug discovery and development. However, the large feasible model space of MRL poses significant challenges to benchmarking, and existing MRL frameworks face limitations in flexibility and scope. To address these challenges, avoid repetitive coding efforts, and ensure fair comparison of models, we introduce FlexMol, a comprehensive toolkit designed to facilitate the construction and evaluation of diverse model architectures across various datasets and performance metrics. FlexMol offers a robust suite of preset model components, including 16 drug encoders, 13 protein sequence encoders, 9 protein structure encoders, and 7 interaction layers. With its easy-to-use API and flexibility, FlexMol supports the dynamic construction of over 70, 000 distinct combinations of model architectures. Additionally, we provide detailed benchmark results and code examples to demonstrate FlexMol's effectiveness in simplifying and standardizing MRL model development and comparison.

In this paper, we propose to create animatable avatars for interacting hands with 3D Gaussian Splatting (GS) and single-image inputs. Existing GS-based methods designed for single subjects often yield unsatisfactory results due to limited input views, various hand poses, and occlusions. To address these challenges, we introduce a novel two-stage interaction-aware GS framework that exploits cross-subject hand priors and refines 3D Gaussians in interacting areas. Particularly, to handle hand variations, we disentangle the 3D presentation of hands into optimization-based identity maps and learning-based latent geometric features and neural texture maps. Learning-based features are captured by trained networks to provide reliable priors for poses, shapes, and textures, while optimization-based identity maps enable efficient one-shot fitting of out-ofdistribution hands. Furthermore, we devise an interaction-aware attention module and a self-adaptive Gaussian refinement module. These modules enhance image rendering quality in areas with intra-and inter-hand interactions, overcoming the limitations of existing GS-based methods. Our proposed method is validated via extensive experiments on the large-scale InterHand2.6M dataset, and it significantly improves the state-of-the-art performance in image quality.

We present a generative dialogue system capable of operating in a full-duplex manner, allowing for seamless interaction. It is based on a large language model (LLM) carefully aligned to be aware of a perception module, a motor function module, and the concept of a simple finite state machine (called neural FSM) with two states. The perception and motor function modules operate in tandem, allowing the system to simultaneously speak and listen to the user. The LLM generates textual tokens for inquiry responses and makes autonomous decisions to start responding to, wait for, or interrupt the user by emitting control tokens to the neural FSM. All these tasks of the LLM are carried out as next token prediction on a serialized view of the dialogue in real-time. In automatic quality evaluations simulating real-life interaction, the proposed system reduces the average conversation response latency by more than 3 folds compared with LLM-based half-duplex dialogue systems while responding within less than 500 milliseconds in more than 50% of evaluated interactions. Running a LLM with only 8 billion parameters, our system exhibits a 8% higher interruption precision rate than the best available commercial LLM for voice-based dialogue.

Embodied agents operating in human spaces must be able to master how their environment works: what objects can the agent use, and how can it use them? We introduce a reinforcement learning approach for exploration for interaction, whereby an embodied agent autonomously discovers the affordance landscape of a new unmapped 3D environment (such as an unfamiliar kitchen). Given an egocentric RGB-D camera and a high-level action space, the agent is rewarded for maximizing successful interactions while simultaneously training an image-based affordance segmentation model. The former yields a policy for acting efficiently in new environments to prepare for downstream interaction tasks, while the latter yields a convolutional neural network that maps image regions to the likelihood they permit each action, densifying the rewards for exploration. We demonstrate our idea with AI2-iTHOR. The results show agents can learn how to use new home environments intelligently and that it prepares them to rapidly address various downstream tasks like "find a knife and put it in the drawer."

Eqn 1: Reward depends on history of the state. The recurrent policy network encodes the agent's observation history over time to arrive at a state-representation. Novelty rewards for visual exploration for mapping [57,51,7] are formulated similarly with RNNs. Approach tries every single object. Taking a knife/apple is the same...# affordances is very low. This number is defined by the AI2-iTHOR environments and is in no way limited by our approach.

Temporal link prediction, aiming at predicting future interactions among entities based on historical interactions, is crucial for a series of real-world applications. Although previous methods have demonstrated the importance of relative encodings for effective temporal link prediction, computational efficiency remains a major concern in constructing these encodings. Moreover, existing relative encodings are usually constructed based on structural connectivity, where temporal information is seldom considered. To address the aforementioned issues, we first analyze existing relative encodings and unify them as a function of temporal walk matrices. This unification establishes a connection between relative encodings and temporal walk matrices, providing a more principled way for analyzing and designing relative encodings. Based on this analysis, we propose a new temporal graph neural network called TPNet, which introduces a temporal walk matrix that incorporates the time decay effect to simultaneously consider both temporal and structural information. Moreover, TPNet designs a random feature propagation mechanism with theoretical guarantees to implicitly maintain the temporal walk matrices, which improves the computation and storage efficiency. Experimental results on 13 benchmark datasets verify the effectiveness and efficiency of TPNet, where TPNet outperforms other baselines on most datasets and achieves a maximum speedup of 33.3 compared to the SOTA baseline. Our code can be found at https://github.com/lxd99/TPNet.