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You Can Trust Your Clustering Model: A Parameter-free Self-Boosting Plug-in for Deep Clustering

Neural Information Processing Systems

Recent deep clustering models have produced impressive clustering performance. However, a common issue with existing methods is the disparity between global and local feature structures. While local structures typically show strong consistency and compactness within class samples, global features often present intertwined boundaries and poorly separated clusters. Motivated by this observation, we propose DCBoost, a parameter-free plug-in designed to enhance the global feature structures of current deep clustering models. By harnessing reliable local structural cues, our method aims to elevate clustering performance effectively. Specifically, we first identify high-confidence samples through adaptive k-nearest neighborsbased consistency filtering, aiming to select a sufficient number of samples with high label reliability to serve as trustworthy anchors for self-supervision. Subsequently, these samples are utilized to compute a discriminative loss, which promotes both intra-class compactness and inter-class separability, to guide network optimization. Extensive experiments across various benchmark datasets showcase that our DCBoost significantly improves the clustering performance of diverse existing deep clustering models. Notably, our method improves the performance of current state-of-the-art baselines (e.g., ProPos) by more than 3% on average and amplifies the silhouette coefficient by over 7 .


Enhancing Compositional Reasoning in CLIP via Reconstruction and Alignment of Text Descriptions

Neural Information Processing Systems

Despite recent advances, vision-language models trained with standard contrastive objectives still struggle with compositional reasoning - the ability to understand structured relationships between visual and linguistic elements. This shortcoming is largely due to the tendency of the text encoder to focus on individual words rather than their relations, a limitation reinforced by contrastive training that primarily aligns words with visual objects. In this paper, we introduce REconstruction and Alignment of text Descriptions (READ), a fine-tuning method designed to enhance compositional reasoning by adding two auxiliary objectives to the contrastive learning: (1) a token-level reconstruction objective, where a frozen pre-trained decoder reconstructs alternative captions based on the embedding of the original caption; and (2) a sentence-level alignment objective, which explicitly aligns paraphrased sentences in the embedding space. We show that READ-CLIP, a model derived by applying the READ method to the pre-trained CLIP model, achieves the state-of-the-art performance across five major compositional reasoning benchmarks, outperforming the strongest conventional fine-tuning baseline by up to 4.1%. Furthermore, applying the READ to existing CLIP variants (including NegCLIP and FSC-CLIP) also improves performance on these benchmarks. Quantitative and qualitative analyses reveal that our proposed objectives - reconstruction and alignment - offer complementary benefits: the former encourages the encoder to capture relationships between words within a caption, while the latter ensures consistent representations for paraphrases expressed with different wording.


SSTAG: Structure-Aware Self-Supervised Learning Method for Text-Attributed Graphs

Neural Information Processing Systems

Large-scale pre-trained models have revolutionized Natural Language Processing (NLP) and Computer Vision (CV), showcasing remarkable cross-domain generalization abilities. However, in graph learning, models are typically trained on individual graph datasets, limiting their capacity to transfer knowledge across different graphs and tasks. This approach also heavily relies on large volumes of annotated data, which presents a significant challenge in resource-constrained settings. Unlike NLP and CV, graph-structured data presents unique challenges due to its inherent heterogeneity, including domain-specific feature spaces and structural diversity across various applications. To address these challenges, we propose a novel structure-aware self-supervised learning method for Text-Attributed Graphs (SSTAG).


Enhancing Optimizer Stability: Momentum Adaptation of The NGNStep-size

Neural Information Processing Systems

Modern optimization algorithms that incorporate momentum and adaptive stepsize offer improved performance in numerous challenging deep learning tasks. However, their effectiveness is often highly sensitive to the choice of hyperparameters, especially the learning rate (LR). Tuning these parameters is often difficult, resource-intensive, and time-consuming. Therefore, recent efforts have been directed toward enhancing the stability of optimizers across a wide range of hyper-parameter choices [79]. In this paper, we introduce an algorithm that matches the performance of state-of-the-art optimizers while improving stability through a novel adaptation of the NGN step-size method [66]. Specifically, we propose a momentum-based version (NGN-M) that attains the standard convergence rate of O(1/ K)under common assumptions, without the need for interpolation condition or assumptions of bounded stochastic gradients or iterates, in contrast to previous approaches. Additionally, we empirically demonstrate that the combination of the NGN step-size with momentum results in high robustness while delivering performance that is comparable to or surpasses other state-of-the-art optimizers.


CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs

Neural Information Processing Systems

Structure-guided molecular generation is pivotal in early-stage drug discovery, enabling the design of compounds tailored to specific protein targets. However, despite recent advances in 3D generative modeling, particularly in improving docking scores, these methods often produce uncommon and intrinsically unreasonable molecular structures that deviate from drug-like chemical space. To quantify this issue, we propose a novel metric, the Molecule Reasonable Ratio (MRR), which measures structural rationality and reveals a critical gap between existing models and real-world approved drugs. To address this, we introduce the Collaborative Intelligence Drug Design (CIDD) framework, the first approach to unify the 3D interaction modeling capabilities of generative models with the general knowledge and reasoning power of large language models (LLMs). By leveraging LLMbased Chain-of-Thought reasoning, CIDD generates molecules that are not only compatible with protein pockets but also exhibit favorable drug-likeness, structural rationality, and synthetic accessibility. On the CrossDocked2020 benchmark, CIDD consistently improves drug-likeness metrics, including QED, SA, and MRR, across different base generative models, while maintaining competitive binding affinity. Notably, it raises the combined success rate (balancing drug-likeness and binding) from 15.72% to 34.59%, more than doubling previous results. These findings demonstrate the value of integrating knowledge reasoning with geometric generation to advance AI-driven drug design.3



Eyes Wide Open: Ego Proactive Video-LLM for Streaming Video

Neural Information Processing Systems

Envision an AI capable of functioning in human-like settings, moving beyond mere observation to actively understand, anticipate, and proactively respond to unfolding events. Towards this vision, we focus on the innovative task where, given ego-streaming video input, an assistant proactively answers diverse, evolving questions at the opportune moment, while maintaining synchronized perception and reasoning. This task embodies three key properties: (1) Proactive Coherence, (2) Just-in-Time Responsiveness, and (3) Synchronized Efficiency. To evaluate and address these properties, we first introduce ESTP-Bench (Ego Streaming Proactive Benchmark) alongside the ESTP-F1 metric--a novel framework designed for their rigorous assessment. Secondly, we propose a comprehensive technical pipeline to enable models to tackle this challenging task. This pipeline comprises: (1) a data engine, (2) a multi-stage training strategy, and (3) a proactive dynamic compression technique. Our proposed model effectively addresses these critical properties while outperforming multiple baselines across diverse online and offline benchmarks.


Smooth and Flexible Camera Movement Synthesis via Temporal Masked Generative Modeling

Neural Information Processing Systems

In dance performances, choreographers define the visual expression of movement, while cinematographers shape its final presentation through camera work. Consequently, the synthesis of camera movements informed by both music and dance has garnered increasing research interest. While recent advancements have led to notable progress in this area, existing methods predominantly operate in an offline manner--that is, they require access to the entire dance sequence before generating corresponding camera motions. This constraint renders them impractical for real-time applications, particularly in live stage performances, where immediate responsiveness is essential. To address this limitation, we introduce a more practical yet challenging task: online camera movement synthesis, in which camera trajectories must be generated using only the current and preceding segments of dance and music. In this paper, we propose TemMEGA (Temporal Masked Generative Modeling), a unified framework capable of handling both online and offline camera movement generation. TemMEGA consists of three key components.


Inference-Time Text-to-Video Alignment with Diffusion Latent Beam Search

Neural Information Processing Systems

The remarkable progress in text-to-video diffusion models enables the generation of photorealistic videos, although the content of these generated videos often includes unnatural movement or deformation, reverse playback, and motionless scenes. Recently, an alignment problem has attracted huge attention, where we steer the output of diffusion models based on some measure of the content's goodness. Because there is a large room for improvement of perceptual quality along the frame direction, we should address which metrics we should optimize and how we can optimize them in the video generation. In this paper, we propose diffusion latent beam search with lookahead estimator, which can select a better diffusion latent to maximize a given alignment reward at inference time. We then point out that improving perceptual video quality with respect to alignment to prompts requires reward calibration by weighting existing metrics. This is because when humans or vision language models evaluate outputs, many previous metrics to quantify the naturalness of video do not always correlate with the evaluation. We demonstrate that our method improves the perceptual quality evaluated on the calibrated reward, VLMs, and human assessment, without model parameter update, and outputs the best generation compared to greedy search and best-of-N sampling under much more efficient computational cost.


Multi-Agent Imitation by Learning and Sampling from Factorized Soft Q-Function

Neural Information Processing Systems

Learning from multi-agent expert demonstrations, known as Multi-Agent Imitation Learning (MAIL), provides a promising approach to sequential decision-making. However, existing MAIL methods including Behavior Cloning (BC) and Adversarial Imitation Learning (AIL) face significant challenges: BC suffers from the compounding error issue, while the very nature of adversarial optimization makes AIL prone to instability. In this work, we propose Multi-Agent imitation by learning and sampling from FactorIzed Soft Q-function (MAFIS), a novel method that addresses these limitations for both online and offline MAIL settings. Built upon the single-agent IQ-Learn framework, MAFIS introduces the value decomposition network to factorize the imitation objective at agent level, thus enabling scalable training for multi-agent systems. Moreover, we observe that the soft Q-function implicitly defines the optimal policy as an energy-based model, from which we can sample actions via stochastic gradient Langevin dynamics. This allows us to estimate the gradient of the factorized optimization objective for continuous control tasks, avoiding the adversarial optimization between the soft Q-function and the policy required by prior work. By doing so, we obtain a tractable and non-adversarial objective for both discrete and continuous multi-agent control. Experiments on common benchmarks including the discrete control tasks StarCraft Multi-Agent Challenge v2 (SMACv2), Gold Miner, and Multi Particle Environments (MPE), as well as the continuous control task Multi-Agent MuJoCo (MaMuJoCo), demonstrate that MAFIS achieves superior performance compared with baselines. Our code is available at https://github.com/LAMDA-RL/MAFIS.