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SiriuS: Self-improving Multi-agent Systems via Bootstrapped Reasoning

Neural Information Processing Systems

Multi-agent AI systems powered by large language models (LLMs) are increasingly applied to solve complex tasks. However, these systems often rely on fragile, manually designed prompts and heuristics, making optimization difficult. A key challenge in optimizing multi-agent systems is acquiring suitable training data for specialized agents. We introduce SIRIUS, a self-improving, reasoning-driven optimization framework for multi-agent systems. Central to our approach is the construction of an experience library: a repository of high-quality reasoning trajectories. The library is built by retaining reasoning steps that lead to successful outcomes, providing a robust training set for optimizing multi-agent system. Additionally, we introduce a library augmentation procedure that refines unsuccessful trajectories, further enriching the library. SIRIUS boosts performance by 2.86% to 21.88% on reasoning and biomedical QA and enhances agent negotiation in competitive settings. Our results show that SIRIUS enhances multi-agent performance while generating reusable data for self-correction and self-play enhancement in the future.


Transition Matching: Scalable and Flexible Generative Modeling

Neural Information Processing Systems

Diffusion and flow matching models have significantly advanced media generation, yet their design space is well-explored, somewhat limiting further improvements. Concurrently, autoregressive (AR) models, particularly those generating continuous tokens, have emerged as a promising direction for unifying text and media generation. This paper introduces Transition Matching (TM), a novel discrete-time, continuous-state generative paradigm that unifies and advances both diffusion/flow models and continuous AR generation. TM decomposes complex generation tasks into simpler Markov transitions, allowing for expressive non-deterministic probability transition kernels and arbitrary non-continuous supervision processes, thereby unlocking new flexible design avenues. We explore these choices through three TM variants: (i) Difference Transition Matching (DTM), which generalizes flow matching to discrete-time by directly learning transition probabilities, yielding state-of-the-art image quality and text adherence as well as improved sampling efficiency.



Self supervised learning for in vivo localization of microelectrode arrays using raw local field potential

Neural Information Processing Systems

Recent advances in large-scale neural recordings have enabled accurate decoding of behavior and cognitive states, yet decoding anatomical regions remains underexplored, despite being crucial for consistent targeting in multiday recordings and effective deep brain stimulation. Current approaches typically rely on external anatomical information, from atlas-based planning to post hoc histology, which are limited in precision, longitudinal applicability, and real-time feedback. In this work, we develop a self-supervised learning framework, Lfp2vec, to infer anatomical regions directly from the neural signal in vivo. We adapt an audiopretrained transformer model by continuing self-supervised training on a large corpus of unlabeled local-field-potential (LFP) data, then fine-tuning for anatomical region decoding. Ablations show that combining out-of-domain initialization with in-domain self-supervision outperforms training from scratch. We demonstrate that our method achieves strong zero-shot generalization across different labs and probe geometries, and outperforms state-of-the-art self-supervised models on electrophysiology data. The learned embeddings form anatomically coherent clusters and transfer effectively to downstream tasks like disease classification with minimal fine-tuning. Altogether, our approach enables zero-shot prediction of brain regions in novel subjects, demonstrates that LFP signals encode rich anatomical information, and establishes self-supervised learning on raw LFP as a foundation to learn representations that can be tuned for diverse neural decoding tasks.


Diffusion Classifiers Understand Compositionality, but Conditions Apply

Neural Information Processing Systems

Understanding visual scenes is fundamental to human intelligence. While discriminative models have significantly advanced computer vision, they often struggle with compositional understanding. In contrast, recent generative text-to-image diffusion models excel at synthesizing complex scenes, suggesting inherent compositional capabilities. Building on this, zero-shot diffusion classifiers have been proposed to repurpose diffusion models for discriminative tasks. While prior work offered promising results in discriminative compositional scenarios, these results remain preliminary due to a small number of benchmarks and a relatively shallow analysis of conditions under which the models succeed. To address this, we present a comprehensive study of the discriminative capabilities of diffusion classifiers on a wide range of compositional tasks.


ForceFM: Enhancing Protein-Ligand Predictions through Force-Guided Flow Matching

Neural Information Processing Systems

Molecular docking is a fundamental technique in structure-based drug discovery, playing a critical role in predicting the binding poses of protein-ligand complexes. While traditional docking methods are generally reliable, they are often computationally expensive. Recent deep learning (DL) approaches have substantially accelerated docking and improved prediction accuracy; however, they frequently generate conformations that lack physical plausibility due to insufficient integration of physical priors. To deal with these challenges, we propose ForceFM, a novel force-guided model that integrates a force-guided network into the generation process, steering ligand poses toward low-energy, physically realistic conformations. Force guidance also halves inference cost compared with the unguided approaches. Importantly, replacing the guiding potential with diverse energy functions-including Vina, Glide, Gnina, and Confscore-preserves or improves performance, underscoring the method's generality and robustness. These results highlight ForceFM's ability to set new standards in docking accuracy and physical consistency, surpassing the limitations of previous methods.


Gradient-Guided Epsilon Constraint Method for Online Continual Learning

Neural Information Processing Systems

Online Continual Learning (OCL) requires models to learn sequentially from data streams with limited memory. Rehearsal-based methods, particularly Experience Replay (ER), are commonly used in OCL scenarios. This paper revisits ER through the lens of ฯต-constraint optimization, revealing that ER implicitly employs a soft constraint on past task performance, with its weighting parameter post-hoc defining a slack variable. While effective, ER's implicit and fixed slack strategy has limitations: it can inadvertently lead to updates that negatively impact generalization, and its fixed trade-off between plasticity and stability may not optimally balance current streaming with memory retention, potentially overfitting to the memory buffer. To address these shortcomings, we propose the Gradient-Guided Epsilon Constraint (GEC) method for online continual learning. GEC explicitly formulates the OCL update as an ฯต-constraint optimization problem, which minimize the loss on the current task data and transform the stability objective as constraints and propose a gradient-guided method to dynamically adjusts the update direction based on whether the performance on memory samples violates a predefined slack tolerance ฮต: if forgetting exceeds this tolerance, GEC prioritizes constraint satisfaction; otherwise, it focuses on the current task while controlling the rate of increase in memory loss. Empirical evaluations on standard OCL benchmarks demonstrate GEC's ability to achieve a superior trade-off, leading to improved overall performance.


Escaping saddle points without Lipschitz smoothness: the power of nonlinear preconditioning

Neural Information Processing Systems

We study generalized smoothness in nonconvex optimization, focusing on (L0,L1)smoothness and anisotropic smoothness. The former was empirically derived from practical neural network training examples, while the latter arises naturally in the analysis of nonlinearly preconditioned gradient methods. We introduce a new sufficient condition that encompasses both notions, reveals their close connection, and holds in key applications such as phase retrieval and matrix factorization. Leveraging tools from dynamical systems theory, we then show that nonlinear preconditioning - including gradient clipping - preserves the saddle point avoidance property of classical gradient descent. Crucially, the assumptions required for this analysis are actually satisfied in these applications, unlike in classical results that rely on restrictive Lipschitz smoothness conditions. We further analyze a perturbed variant that efficiently attains second-order stationarity with only logarithmic dependence on dimension, matching similar guarantees of classical gradient methods.


VITRIX-UniViTAR: Unified Vision Transformer with Native Resolution

Neural Information Processing Systems

While preliminary explorations have superficially investigated native resolution modeling, existing works still lack systematic training recipe from the visual representation perspective. To bridge this gap, we introduce Unified Vision Transformer with NAtive Resolution, i.e. UniViTAR, a family of homogeneous vision foundation models tailored for unified visual modality and native resolution scenario in the era of multimodal. Our framework first conducts architectural upgrades to the vanilla paradigm by integrating multiple advanced components. Building upon these improvements, a progressive training paradigm is introduced, which strategically combines two core mechanisms: (1) resolution curriculum learning, transitioning from fixedresolution pretraining to native resolution tuning, thereby leveraging ViT's inherent adaptability to variable-length sequences, and (2) visual modality adaptation via inter-batch image-video switching, which balances computational efficiency with enhanced temporal reasoning. In parallel, a hybrid training framework further synergizes sigmoid-based contrastive loss with feature distillation from a frozen teacher model, thereby accelerating early-stage convergence. Finally, trained exclusively on public accessible image-caption data, our UniViTAR family across multiple model scales from 0.3B to 1.4B achieves state-of-the-art performance on a wide variety of visual-related tasks. The code and models are available here. Figure 1: The figure presents: (left) a systematic overview of model scaling performance across downstream tasks when increasing parameter size from 0.3B to 1B, and (right) a comprehensive comparison of multimodal capabilities against SOTA baselines on diversified benchmarks.


Activation-Guided Consensus Merging for Large Language Models

Neural Information Processing Systems

Recent research has increasingly focused on reconciling the reasoning capabilities of System 2 with the efficiency of System 1. While existing training-based and prompt-based approaches face significant challenges in terms of efficiency and stability, model merging emerges as a promising strategy to integrate the diverse capabilities of different Large Language Models (LLMs) into a unified model. However, conventional model merging methods often assume uniform importance across layers, overlooking the functional heterogeneity inherent in neural components. To address this limitation, we propose Activation-Guided Consensus Merging (ACM), a plug-and-play merging framework that determines layer-specific merging coefficients based on mutual information between activations of pre-trained and fine-tuned models. ACM effectively preserves task-specific capabilities without requiring gradient computations or additional training. Extensive experiments on Long-to-Short (L2S) and general merging tasks demonstrate that ACM consistently outperforms all baseline methods. For instance, in the case of Qwen-7B models, TIES-Merging equipped with ACM achieves a 55.3% reduction in response length while simultaneously improving reasoning accuracy by 1.3 points.