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Self-supervised Blending Structural Context of Visual Molecules for Robust Drug Interaction Prediction

Neural Information Processing Systems

Identifying drug-drug interactions (DDIs) is critical for ensuring drug safety and advancing drug development, a topic that has garnered significant research interest. While existing methods have made considerable progress, approaches relying solely on known DDIs face a key challenge when applied to drugs with limited data (e.g., novel and few-shot drugs): insufficient exploration of the space of unlabeled pairwise drugs. To address these issues, we innovatively introduce S2VM, a Selfsupervised Visual pretraining framework for pair-wise Molecules, to fully fuse structural representations and explore the space of drug pairs for DDI prediction. S2VM incorporates the explicit structure and correlations of visual molecules, such as the positional relationships and connectivity between functional substructures. Specifically, we blend the visual fragments of drug pairs into a unified input for joint encoding and then recover molecule-specific visual information for each drug individually.


PlanU: Large Language Model Reasoning through Planning under Uncertainty

Neural Information Processing Systems

Large Language Models (LLMs) are increasingly being explored across a range of reasoning tasks. However, LLMs sometimes struggle with reasoning tasks under uncertainty that are relatively easy for humans, such as planning actions in stochastic environments. The adoption of LLMs for reasoning is impeded by uncertainty challenges, such as LLM uncertainty and environmental uncertainty. LLM uncertainty arises from the stochastic sampling process inherent to LLMs. Most LLM-based Decision-Making (LDM) approaches address LLM uncertainty through multiple reasoning chains or search trees. However, these approaches overlook environmental uncertainty, which leads to poor performance in environments with stochastic state transitions.


Physics-informed Neural Operator for Pansharpening

Neural Information Processing Systems

Over the past decades, pansharpening has contributed greatly to numerous remote sensing applications, with methods evolving from theoretically grounded models to deep learning approaches and their hybrids. Though promising, existing methods rarely address pansharpening through the lens of underlying physical imaging processes. In this work, we revisit the spectral imaging mechanism and propose a novel physics informed neural operator framework for pansharpening, termed PINO, which faithfully models the end to end electro optical sensor process. Specifically, PINO operates as: (1) First, a spatial-spectral encoder pair is introduced to aggregate multi-granularity high-resolution panchromatic (PAN) and low-resolution multispectral (LRMS) features.


Melting Pot Contest: Charting the Future of Generalized Cooperative Intelligence

Neural Information Processing Systems

Multi-agent AI research promises a path to develop human-like and human-compatible intelligent technologies that complement the solipsistic view of other approaches, which mostly do not consider interactions between agents. Aiming to make progress in this direction, the Melting Pot contest 2023 focused on the problem of cooperation among interacting agents and challenged researchers to push the boundaries of multi-agent reinforcement learning (MARL) for mixed-motive games. The contest leveraged the Melting Pot environment suite to rigorously evaluate how well agents can adapt their cooperative skills to interact with novel partners in unforeseen situations. Unlike other reinforcement learning challenges, this challenge focused on social rather than environmental generalization. In particular, a population of agents performs well in Melting Pot when its component individuals are adept at finding ways to cooperate both with others in their population and with strangers. Thus Melting Pot measures cooperative intelligence.The contest attracted over 600 participants across 100+ teams globally and was a success on multiple fronts: (i) it contributed to our goal of pushing the frontiers of MARL towards building more cooperatively intelligent agents, evidenced by several submissions that outperformed established baselines; (ii) it attracted a diverse range of participants, from independent researchers to industry affiliates and academic labs, both with strong background and new interest in the area alike, broadening the field's demographic and intellectual diversity; and (iii) analyzing the submitted agents provided important insights, highlighting areas for improvement in evaluating agents' cooperative intelligence. This paper summarizes the design aspects and results of the contest and explores the potential of Melting Pot as a benchmark for studying Cooperative AI. We further analyze the top solutions and conclude with a discussion on promising directions for future research.


Unsupervised Learning of Shape Programs with Repeatable Implicit Parts

Neural Information Processing Systems

Shape programs encode shape structures by representing object parts as subroutines and constructing the overall shape by composing these subroutines. This usually involves the reuse of subroutines for repeatable parts, enabling the modeling of correlations among shape elements such as geometric similarity. However, existing learning-based shape programs suffer from limited representation capacity, because they use coarse geometry representations such as geometric primitives and low-resolution voxel grids. Further, their training requires manually annotated ground-truth programs, which are expensive to attain. We address these limitations by proposing Shape Programs with Repeatable Implicit Parts (ProGRIP). Using implicit functions to represent parts, ProGRIP greatly boosts the representation capacity of shape programs while preserving the higher-level structure of repetitions and symmetry.


Melting Pot Contest: Charting the Future of Generalized Cooperative Intelligence

Neural Information Processing Systems

Multi-agent AI research promises a path to develop human-like and human-compatible intelligent technologies that complement the solipsistic view of other approaches, which mostly do not consider interactions between agents. Aiming to make progress in this direction, the Melting Pot contest 2023 focused on the problem of cooperation among interacting agents and challenged researchers to push the boundaries of multi-agent reinforcement learning (MARL) for mixed-motive games. The contest leveraged the Melting Pot environment suite to rigorously evaluate how well agents can adapt their cooperative skills to interact with novel partners in unforeseen situations. Unlike other reinforcement learning challenges, this challenge focused on social rather than environmental generalization. In particular, a population of agents performs well in Melting Pot when its component individuals are adept at finding ways to cooperate both with others in their population and with strangers.


SalM$^{2}$: An Extremely Lightweight Saliency Mamba Model for Real-Time Cognitive Awareness of Driver Attention

arXiv.org Artificial Intelligence

Driver attention recognition in driving scenarios is a popular direction in traffic scene perception technology. It aims to understand human driver attention to focus on specific targets/objects in the driving scene. However, traffic scenes contain not only a large amount of visual information but also semantic information related to driving tasks. Existing methods lack attention to the actual semantic information present in driving scenes. Additionally, the traffic scene is a complex and dynamic process that requires constant attention to objects related to the current driving task. Existing models, influenced by their foundational frameworks, tend to have large parameter counts and complex structures. Therefore, this paper proposes a real-time saliency Mamba network based on the latest Mamba framework. As shown in Figure 1, our model uses very few parameters (0.08M, only 0.09~11.16% of other models), while maintaining SOTA performance or achieving over 98% of the SOTA model's performance.


DA-LIF: Dual Adaptive Leaky Integrate-and-Fire Model for Deep Spiking Neural Networks

arXiv.org Artificial Intelligence

Spiking Neural Networks (SNNs) are valued for their ability to process spatio-temporal information efficiently, offering biological plausibility, low energy consumption, and compatibility with neuromorphic hardware. However, the commonly used Leaky Integrate-and-Fire (LIF) model overlooks neuron heterogeneity and independently processes spatial and temporal information, limiting the expressive power of SNNs. In this paper, we propose the Dual Adaptive Leaky Integrate-and-Fire (DA-LIF) model, which introduces spatial and temporal tuning with independently learnable decays. Evaluations on both static (CIFAR10/100, ImageNet) and neuromorphic datasets (CIFAR10-DVS, DVS128 Gesture) demonstrate superior accuracy with fewer timesteps compared to state-of-the-art methods. Importantly, DA-LIF achieves these improvements with minimal additional parameters, maintaining low energy consumption. Extensive ablation studies further highlight the robustness and effectiveness of the DA-LIF model.


Unsupervised Learning of Shape Programs with Repeatable Implicit Parts

Neural Information Processing Systems

Shape programs encode shape structures by representing object parts as subroutines and constructing the overall shape by composing these subroutines. This usually involves the reuse of subroutines for repeatable parts, enabling the modeling of correlations among shape elements such as geometric similarity. However, existing learning-based shape programs suffer from limited representation capacity, because they use coarse geometry representations such as geometric primitives and low-resolution voxel grids. Further, their training requires manually annotated ground-truth programs, which are expensive to attain. We address these limitations by proposing Shape Programs with Repeatable Implicit Parts (ProGRIP). Using implicit functions to represent parts, ProGRIP greatly boosts the representation capacity of shape programs while preserving the higher-level structure of repetitions and symmetry.


A Novel Method for Pignistic Information Fusion in the View of Z-number

arXiv.org Artificial Intelligence

How to properly fuse information from complex sources is still an open problem. Lots of methods have been put forward to provide a effective solution in fusing intricate information. Among them, Dempster-Shafer evidences theory (DSET) is one of the representatives, it is widely used to handle uncertain information. Based on DSET, a completely new method to fuse information from different sources based on pignistic transformation and Z-numbers is proposed in this paper which is able to handle separate situations of information and keeps high accuracy in producing rational and correct judgments on actual situations. Besides, in order to illustrate the superiority of the proposed method, some numerical examples and application are also provided to verify the validity and robustness of it.