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 Deep Learning


Succeed or Learn Slowly: Sample Efficient Off-Policy Reinforcement Learning for Mobile App Control

Neural Information Processing Systems

Reinforcement learning (RL) using foundation models for policy approximations in multi-turn tasks remains challenging. We identify two main limitations related to sparse reward settings and policy gradient updates, based on which we formulate a key insight: updates from positive samples with high returns typically do not require policy regularisation, whereas updates from negative samples, reflecting undesirable behaviour, can harm model performance. This paper introduces Succeed or Learn Slowly (SoLS), a novel off-policy RL algorithm evaluated on mobile app control tasks. SoLS improves sample efficiency when fine-tuning foundation models for user interface navigation via a modified off-policy actor-critic approach, applying direct policy updates for positive samples and conservative, regularised updates for negative ones to prevent model degradation. We augment SoLS with Successful Transition Replay (STR), which prioritises learning from successful interactions, further improving sample efficiency. We evaluate SoLS on the AndroidWorld benchmark, where it significantly outperforms existing methods (at least 17% relative increase), including prompt-engineering and RL approaches, while requiring substantially fewer computational resources than GPT-4o-based methods with 5-60x faster inference.


Bridging Time and Linguistics: LLMs as Time Series Analyzer through Symbolization and Segmentation

Neural Information Processing Systems

Recent studies reveal that Large Language Models (LLMs) exhibit strong sequential reasoning capabilities, allowing them to replace specialized time-series models and serve as foundation models for complex time-series analysis. To activate the capabilities of LLMs for time-series tasks, numerous studies have attempted to bridge the gap between time series and linguistics by aligning textual representations with time-series patterns. However, it is a non-trivial endeavor to losslessly capture the infinite time-domain variability using natural language, leading to suboptimal alignment performance. Beyond representation, contextual differences, where semantics in time series are conveyed by consecutive points, unlike in text by individual tokens, are often overlooked by existing methods. To address these, we propose S2TS-LLM, a simple yet effective framework to repurpose LLMs for universal time series analysis through the following two main paradigms: (i) a spectral symbolization paradigm transforms time series into frequency-domain representations characterized by a fixed number of components and prominent amplitudes, which enables a limited set of symbols to effectively abstract key frequency features; (ii) a contextual segmentation paradigm partitions the sequence into blocks based on temporal patterns and reassigns positional encodings accordingly, thereby mitigating the structural mismatch between time series and natural language.


The Omni-Expert: AComputationally Efficient Approach to Achieve a Mixture of Experts in a Single Expert Model

Neural Information Processing Systems

Mixture-of-Experts (MoE) models have become popular in machine learning, boosting performance by partitioning tasks across multiple experts. However, the need for several experts often results in high computational costs, limiting their application on resource-constrained devices with stringent real-time requirements, such as cochlear implants (CIs). We introduce the Omni-Expert (OE) - a simple and efficient solution that leverages feature transformations to achieve the'divideand-conquer' functionality of a full MoE ensemble in a single expert model. We demonstrate the effectiveness of the OE using phoneme-specific time-frequency masking for speech dereverberation in a CI. Empirical results show that the OE delivers statistically significant improvements in objective intelligibility measures of CI vocoded speech at different levels of reverberation across various speech datasets at a much reduced computational cost relative to a counterpart MoE.


CellCLIP - Learning Perturbation Effects in Cell Painting via Text-Guided Contrastive Learning

Neural Information Processing Systems

High-content screening (HCS) assays based on high-throughput microscopy techniques such as Cell Painting have enabled the interrogation of cells' morphological responses to perturbations at an unprecedented scale. The collection of such data promises to facilitate a better understanding of the relationships between different perturbations and their effects on cellular state. Towards achieving this goal, recent advances in cross-modal contrastive learning could, in theory, be leveraged to learn a unified latent space that aligns perturbations with their corresponding morphological effects. However, the application of such methods to HCS data is not straightforward due to substantial differences in the semantics of Cell Painting images compared to natural images, and the difficulty of representing different classes of perturbations (e.g.


Clean First Align Later Preference Data Cleaning for Reliable

Neural Information Processing Systems

Human feedback plays a pivotal role in aligning large language models (LLMs) with human preferences. However, such feedback is often noisy or inconsistent, which can degrade the quality of reward models and hinder alignment. While various automated data cleaning methods have been proposed to mitigate this issue, a systematic evaluation of their effectiveness and generalizability remains lacking. To bridge this gap, we introduce the first comprehensive benchmark for evaluating 13 preference data cleaning methods in the context of LLM alignment. PrefCleanBench offers a standardized protocol to assess cleaning strategies in terms of alignment performance and generalizability across diverse datasets, model architectures, and optimization algorithms. By unifying disparate methods and rigorously comparing them, we uncover key factors that determine the success of data cleaning in alignment tasks. This benchmark lays the groundwork for principled and reproducible approaches to improving LLM alignment through better data quality--highlighting the crucial but underexplored role of data preprocessing in responsible AI development.


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.



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.