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SHAP values via sparse Fourier representation

Neural Information Processing Systems

SHAP (SHapley Additive exPlanations) values are a widely used method for local feature attribution in interpretable and explainable AI. We propose an efficient two-stage algorithm for computing SHAP values in both black-box setting and tree-based models. We assume the black-box predictor or tree model accepts binary (zero-one) features.


On the Empirical Power of Goodness-of-Fit Tests in Watermark Detection

Neural Information Processing Systems

Large language models (LLMs) raise concerns about content authenticity and integrity because they can generate human-like text at scale. Text watermarks, which embed detectable statistical signals into generated text, offer a provable way to verify content origin. Many detection methods rely on pivotal statistics that are i.i.d.



Unextractable Protocol Models: Collaborative Training and Inference without Weight Materialization

Neural Information Processing Systems

We consider a decentralized setup in which the participants collaboratively train and serve a large neural network, and where each participant only processes a subset of the model. In this setup, we explore the possibility of unmaterializable weights, where a full weight set is never available to any one participant. We introduce Unextractable Protocol Models (UPMs): a training and inference framework that leverages the sharded model setup to ensure model shards (i.e., subsets) held by participants are incompatible at different time steps. UPMs periodically inject timevarying, random, invertible transforms at participant boundaries; preserving the overall network function yet rendering cross-time assemblies incoherent. On Qwen2.5-0.5B and Llama-3.2-1B, 10 000 transforms leave FP32 perplexity unchanged ( PPL< 0.01; Jensen-Shannon drift < 4 10 5), and we show how to control growth for lower precision datatypes. Applying a transform every 30s adds 3% latency, 0.1% bandwidth, and 10% GPU-memory overhead at inference, while training overhead falls to 1.6% time and < 1% memory. We consider several attacks, showing that the requirements of direct attacks are impractical and easy to defend against, and that gradient-based fine-tuning of stitched partitions consumes 60% of the tokens required to train from scratch. By enabling models to be collaboratively trained yet not extracted, UPMs make it practical to embed programmatic incentive mechanisms in community-driven decentralized training.


Composition and Alignment of Diffusion Models using Constrained Learning

Neural Information Processing Systems

Diffusion models have become prevalent in generative modeling due to their ability to sample from complex distributions. To improve the quality of generated samples and their compliance with user requirements, two commonly used methods are: (i) Alignment, which involves finetuning a diffusion model to align it with a reward; and (ii) Composition, which combines several pretrained diffusion models together, each emphasizing a desirable attribute in the generated outputs. However, trade-offs often arise when optimizing for multiple rewards or combining multiple models, as they can often represent competing properties. Existing methods cannot guarantee that the resulting model faithfully generates samples with all the desired properties. To address this gap, we propose a constrained optimization framework that unifies alignment and composition of diffusion models by enforcing that the aligned model satisfies reward constraints and/or remains close to each pretrained model. We provide a theoretical characterization of the solutions to the constrained alignment and composition problems and develop a Lagrangian-based primal-dual training algorithm to approximate these solutions. Empirically, we demonstrate our proposed approach in image generation, applying it to alignment and composition, and show that our aligned or composed model satisfies constraints effectively.


1ae5c1db7569a6c2f395020765b119a4-Paper-Position_Paper_Track.pdf

Neural Information Processing Systems

Artificial intelligence (AI) now permeates critical infrastructures and decisionmaking systems where failures produce social, economic, and democratic harm. This position paper challenges the entrenched belief that regulation and innovation are opposites. As evidenced by analogies from aviation, pharmaceuticals, and welfare systems and recent cases of synthetic misinformation, bias and unaccountable decision-making, the absence of well-designed regulation has already created immeasurable damage. Regulation, when thoughtful and adaptive, is not a brake on innovation--it is its foundation. The present position paper examines the EU AIAct as a model of risk-based, responsibility-driven regulation that addresses the Collingridge Dilemma: acting early enough to prevent harm, yet flexibly enough to sustain innovation. Its adaptive mechanisms--regulatory sandboxes, small and medium enterprises (SMEs) support, real-world testing, fundamental rights impact assessment (FRIA)--demonstrate how regulation can accelerate responsibly, rather than delay, technological progress. The position paper summarises how governance tools transform perceived burdens into tangible advantages: legal certainty, consumer trust, and ethical competitiveness.


MIP against Agent: Malicious Image Patches Hijacking Multimodal OSAgents

Neural Information Processing Systems

Large language models (LLMs) and vision-language models (VLMs) have demonstrated remarkable capabilities, driving significant advancements across a wide range of applications. These models are typically fine-tuned to align with specific objectives, such as being "helpful and harmless" [39]. However, recent work on adversarial attacks has demonstrated that carefully crafted inputs can bypass these alignment safeguards [65, 10, 4, 26, 52]. While such adversarial attacks can elicit harmful responses, the output is usually constrained to text that is not directly actionable, limiting the scope of possible harm. While malicious text outputs are concerning, it remains unclear whether the associated risks exceed those posed by information already accessible through the internet [18].


UniZyme: AUnified Protein Cleavage Site Predictor Enhanced with Enzyme Active-Site Knowledge

Neural Information Processing Systems

Enzyme-catalyzed protein cleavage is essential for many biological functions. Accurate prediction of cleavage sites can facilitate various applications such as drug development, enzyme design, and a deeper understanding of biological mechanisms. However, most existing models are restricted to an individual enzyme, which neglects shared knowledge of enzymes and fails to generalize to novel enzymes. Thus, we introduce a unified protein cleavage site predictor named UniZyme, which can generalize across diverse enzymes. To enhance the enzyme encoding for the protein cleavage site prediction, UniZyme employs a novel biochemically-informed model architecture along with active-site knowledge of proteolytic enzymes. Extensive experiments demonstrate that UniZyme achieves high accuracy in predicting cleavage sites across a range of proteolytic enzymes, including unseen enzymes. The code is available in https://github.com/Ao-LiChen/UniZyme.


Class conditional conformal prediction for multiple inputs by p-value aggregation

Neural Information Processing Systems

Conformal prediction methods are statistical tools designed to quantify uncertainty and generate predictive sets with guaranteed coverage probabilities. This work introduces an innovative refinement to these methods for classification tasks, specifically tailored for scenarios where multiple observations (multi-inputs) of a single instance are available at prediction time. Our approach is particularly motivated by applications in citizen science, where multiple images of the same plant or animal are captured by individuals. Our method integrates the information from each observation into conformal prediction, enabling a reduction in the size of the predicted label set while preserving the required class-conditional coverage guarantee. The approach is based on the aggregation of conformal p-values computed from each observation of a multi-input. By exploiting the exact distribution of these p-values, we propose a general aggregation framework using an abstract scoring function, encompassing many classical statistical tools. Knowledge of this distribution also enables refined versions of standard strategies, such as majority voting. We evaluate our method on simulated and real data, with a particular focus on Pl@ntNet, a prominent citizen science platform that facilitates the collection and identification of plant species through user-submitted images.


Tightening Regret Lower and Upper Bounds in Restless Rising Bandits

Neural Information Processing Systems

Restless Multi-Armed Bandits (MABs) are a general framework designed to handle real-world decision-making problems where the expected rewards evolve over time, such as in recommender systems and dynamic pricing. In this work, we investigate from a theoretical standpoint two well-known structured subclasses of restless MABs: the rising and the rising concave settings, where the expected reward of each arm evolves over time following an unknown non-decreasing and a non-decreasing concave function, respectively. By providing a novel methodology of independent interest for general restless bandits, we establish new lower bounds on the expected cumulative regret for both settings. In the rising case, we prove a lower bound of order ΩpT2{3q, matching known upper bounds for restless bandits; whereas, in the rising concave case, we derive a lower bound of order ΩpT3{5q, proving for the first time that this setting is provably more challenging than stationary MABs. Then, we introduce Rising Concave Budgeted Exploration (RC-BEpαq), a new regret minimization algorithm designed for the rising concave MABs. By devising a novel proof technique, we show that the expected cumulative regret of RC-BEpαq is in the order of rOpT7{11q. These results collectively make a step towards closing the gap in rising concave MABs, positioning them between stationary and general restless bandit settings in terms of statistical complexity.