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 Deep Learning


Bidirectional Representations Augmented Autoregressive Biological Sequence Generation

Neural Information Processing Systems

Autoregressive (AR) models, common in sequence generation, are limited in many biological tasks like de novo peptide sequencing and protein modeling by their unidirectional nature, failing to capture crucial global bidirectional token dependencies. Non-Autoregressive (NAR) models offer holistic, bidirectional representations but face challenges with generative coherence and scalability. To transcend this, we propose a hybrid framework enhancing AR generation by dynamically integrating rich contextual information from non-autoregressive mechanisms. Our approach couples a shared input encoder with two decoders: a non-autoregressive one learning latent bidirectional biological features, and an AR decoder synthesizing the biological sequence by leveraging these bi-directional features. A novel cross-decoder attention module enables the AR decoder to iteratively query and integrate these bidirectional features, enriching its predictions. This synergy is cultivated via a tailored training strategy with importance annealing for balanced objectives and cross-decoder gradient blocking for stable, focused learning.


Value Improved Actor Critic Algorithms

Neural Information Processing Systems

To learn approximately optimal acting policies for decision problems, modern Actor Critic algorithms rely on deep Neural Networks (DNNs) to parameterize the acting policy and greedification operators to iteratively improve it. The reliance on DNNs suggests an improvement that is gradient based, which is per step much less greedy than the improvement possible by greedier operators such as the greedy update used by Q-learning algorithms. On the other hand, slow changes to the policy can also be beneficial for the stability of the learning process, resulting in a tradeoff between greedification and stability. To better address this tradeoff, we propose to decouple the acting policy from the policy evaluated by the critic. This allows the agent to separately improve the critic's policy (e.g.


Representation Consistency for Accurate and Coherent LLMAnswer Aggregation

Neural Information Processing Systems

Test-time scaling improves large language models' (LLMs) performance by allocating more compute budget during inference. To achieve this, existing methods often require intricate modifications to prompting and sampling strategies. In this work, we introduce representation consistency (RC), a test-time scaling method for aggregating answers drawn from multiple candidate responses of an LLM regardless of how they were generated, including variations in prompt phrasing and sampling strategy. RC enhances answer aggregation by not only considering the number of occurrences of each answer in the candidate response set, but also the consistency of the model's internal activations while generating the set of responses leading to each answer. These activations can be either dense (raw model activations) or sparse (encoded via pretrained sparse autoencoders). Our rationale is that if the model's representations of multiple responses converging on the same answer are highly variable, this answer is more likely to be the result of incoherent reasoning and should be down-weighted during aggregation. Importantly, our method only uses cached activations and lightweight similarity computations and requires no additional model queries.



Dynamic Test-Time Compute Scaling in Control Policy: Difficulty-Aware Stochastic Interpolant Policy

Neural Information Processing Systems

Diffusion-and flow-based policies deliver state-of-the-art performance on longhorizon robotic manipulation and imitation learning tasks. However, these controllers employ a fixed inference budget at every control step, regardless of task complexity, leading to computational inefficiency for simple subtasks while potentially underperforming on challenging ones. To address these issues, we introduce Difficulty-Aware Stochastic Interpolant Policy (DA-SIP), a framework that enables robotic controllers to adaptively adjust their integration horizon in real time based on task difficulty. Our approach employs a difficulty classifier that analyzes RGB-D observations to dynamically select the step budget, the optimal solver variant, and ODE/SDE integration at each control cycle. DA-SIP builds upon the stochastic interpolant formulation to provide a unified framework that unlocks diverse training and inference configurations for diffusion-and flow-based policies. Through comprehensive benchmarks across diverse manipulation tasks, DA-SIP achieves 2.6-4.4 reduction in total computation time while maintaining task success rates comparable to fixed maximum-computation baselines. By implementing adaptive computation within this framework, DA-SIP transforms generative robot controllers into efficient, task-aware systems that intelligently allocate inference resources where they provide the greatest benefit.


Graph Construction

Neural Information Processing Systems

Point cloud registration is a fundamental task in 3D computer vision. Recent advances have shown that graph-based methods are effective for outlier rejection in this context. However, existing clique-based methods impose overly strict constraints and are NP-hard, making it difficult to achieve both robustness and efficiency. While the k-core reduces computational complexity, which only considers node degree and ignores higher-order topological structures such as triangles, limiting its effectiveness in complex scenarios. To overcome these limitations, we introduce the k-truss from graph theory into point cloud registration, leveraging triangle support as a constraint for inlier selection. We further propose a consensus voting-based low-scale sampling strategy to efficiently extract the structural skeleton of the point cloud prior to k-truss decomposition. Additionally, we design a spatial distribution score that balances coverage and uniformity of inliers, preventing selections that concentrate on sparse local clusters. Extensive experiments on KITTI, 3DMatch, and 3DLoMatch demonstrate that our method consistently outperforms both traditional and learning-based approaches in various indoor and outdoor scenarios, achieving state-of-the-art results.



From Self Check to Consensus Bayesian Strategic Decoding in Large Language Models

Neural Information Processing Systems

Large Language Models exhibit logical inconsistency across multi-turn inference processes, undermining correctness in complex inferential tasks. Challenges arise from ensuring that outputs align with both factual correctness and human intent.


OligoGym: Curated Datasets and Benchmarks for Oligonucleotide Drug Discovery

Neural Information Processing Systems

Oligonucleotide therapeutics offer great potential to address previously undruggable targets and enable personalized medicine. However, their progress is often hindered by insufficient safety and efficacy profiles. Predictive modeling and machine learning could significantly accelerate oligonucleotide drug discovery by identifying suboptimal compounds early on, but their application in this area lags behind other modalities. A key obstacle to the adoption of machine learning in the field is the scarcity of readily accessible and standardized datasets for model development, as data are often scattered across diverse experiments with inconsistent molecular representations. To overcome this challenge, we introduce OligoGym, a curated collection of standardized, machine learning-ready datasets encompassing various oligonucleotide therapeutic modalities and endpoints. We used OligoGym to benchmark diverse classical and deep learning methods, establishing performance baselines for each dataset across different featurization techniques, model configurations, and splitting strategies. Our work represents a crucial first step in creating a more unified framework for oligonucleotide therapeutic dataset generation and model training.


Scaling Data-Driven Probabilistic Robustness Analysis for Semantic Segmentation Neural Networks

Neural Information Processing Systems

Semantic segmentation neural networks (SSNs) are increasingly essential in highstakes fields such as medical imaging, autonomous driving, and environmental monitoring, where robustness to input uncertainties and adversarial examples is crucial for ensuring safety and reliability. However, traditional probabilistic verification methods struggle to scale effectively with the size and depth of modern SSNs, especially when dealing with their high-dimensional, structured inputs/outputs. As the output dimension increases, these methods tend to become overly conservative, resulting in unnecessarily restrictive safety guarantees. In this work, we propose a probabilistic, data-driven verification algorithm that is architecture-agnostic and scalable, capable of handling the high-dimensional outputs of SSNs without introducing conservative and loose guarantees. We leverage efficient sampling-based reachability analysis to explore the space of possible outputs while maintaining computational feasibility.