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 Deep Learning


Accelerated Linearized Laplace Approximation for Bayesian Deep Learning

Neural Information Processing Systems

Laplace approximation (LA) and its linearized variant (LLA) enable effortless adaptation of pretrained deep neural networks to Bayesian neural networks. The generalized Gauss-Newton (GGN) approximation is typically introduced to improve their tractability. However, LA and LLA are still confronted with non-trivial inefficiency issues and should rely on Kronecker-factored, diagonal, or even last-layer approximate GGN matrices in practical use. These approximations are likely to harm the fidelity of learning outcomes. To tackle this issue, inspired by the connections between LLA and neural target kernels (NTKs), we develop a Nystrom approximation to NTKs to accelerate LLA.


In-Context Learning State Vector with Inner and Momentum Optimization

Neural Information Processing Systems

Large Language Models (LLMs) have exhibited an impressive ability to perform In-Context Learning (ICL) from only a few examples. Recent works have indicated that the functions learned by ICL can be represented through compressed vectors derived from the transformer. However, the working mechanisms and optimization of these vectors are yet to be thoroughly explored. In this paper, we address this gap by presenting a comprehensive analysis of these compressed vectors, drawing parallels to the parameters trained with gradient descent, and introducing the concept of state vector. Inspired by the works on model soup and momentum-based gradient descent, we propose inner and momentum optimization methods that are applied to refine the state vector progressively as test-time adaptation. Moreover, we simulate state vector aggregation in the multiple example setting, where demonstrations comprising numerous examples are usually too lengthy for regular ICL, and further propose a divide-and-conquer aggregation method to address this challenge. We conduct extensive experiments using Llama-2 and GPT-J in both zero-shot setting and few-shot setting. The experimental results show that our optimization method effectively enhances the state vector and achieves the state-of-the-art performance on diverse tasks.


MaskLLM: Learnable Semi-Structured Sparsity for Large Language Models

Neural Information Processing Systems

Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or N:M'') Sparsity in LLMs, aimed at reducing computational overhead during inference. This approach facilitates end-to-end training on large-scale datasets and offers two notable advantages: 1) High-quality Masks - our method effectively scales to large datasets and learns accurate masks; 2) Transferability - the probabilistic modeling of mask distribution enables the transfer learning of sparsity across domains or tasks. We assessed MaskLLM using 2:4 sparsity on various LLMs, including LLaMA-2, Nemotron-4, and GPT-3, with sizes ranging from 843M to 15B parameters, and our empirical results show substantial improvements over state-of-the-art methods. For instance, leading approaches achieve a perplexity (PPL) of 10 or greater on Wikitext compared to the dense model's 5.12 PPL, but MaskLLM achieves a significantly lower 6.72 PPL solely by learning the masks with frozen weights.


On the Identifiability of Hybrid Deep Generative Models: Meta-Learning as a Solution

Neural Information Processing Systems

The interest in leveraging physics-based inductive bias in deep learning has resulted in recent development of that integrates known physics-based mathematical expressions in neural generative models. To identify these hybrid-DGMs requires inferring parameters of the physics-based component along with their neural component. The identifiability of these hybrid-DGMs, however, has not yet been theoretically probed or established. How does the existing theory of the un-identifiability of general DGMs apply to hybrid-DGMs? What may be an effective approach to consutrct a hybrid-DGM with theoretically-proven identifiability? This paper provides the first theoretical probe into the identifiability of hybrid-DGMs, and present meta-learning as a novel solution to construct identifiable hybrid-DGMs. On synthetic and real-data benchmarks, we provide strong empirical evidence for the un-identifiability of existing hybrid-DGMs using unconditional priors, and strong identifiability results of the presented meta-formulations of hybrid-DGMs.


Justice Department Says Anthropic Can't Be Trusted With Warfighting Systems

WIRED

Justice Department Says Anthropic Can't Be Trusted With Warfighting Systems In response to Anthropic's lawsuit, the government said it lawfully penalized the company for trying to limit how its Claude AI models could be used by the military. The Trump administration argued in a court filing on Tuesday that it did not violate Anthropic's First Amendment rights by designating the AI developer a supply-chain risk and predicted that the company's lawsuit against the government will fail. "The First Amendment is not a license to unilaterally impose contract terms on the government, and Anthropic cites nothing to support such a radical conclusion," US Department of Justice attorneys wrote. The response was filed in a federal court in San Francisco, one of two venues where Anthropic is challenging the Pentagon's decision to sanction the company with a label that can bar companies from defense contracts over concerns about potential security vulnerabilities. Anthropic argues the Trump administration overstepped its authority in applying the label and preventing the company's technologies from being used inside the department.


TARP-VP: Towards Evaluation of Transferred Adversarial Robustness and Privacy on Label Mapping Visual Prompting Models

Neural Information Processing Systems

Adversarial robustness and privacy of deep learning (DL) models are two widely studied topics in AI security. Adversarial training (AT) is an effective approach to improve the robustness of DL models against adversarial attacks. However, while models with AT demonstrate enhanced robustness, they become more susceptible to membership inference attacks (MIAs), thus increasing the risk of privacy leakage. This indicates a negative trade-off between adversarial robustness and privacy in general deep learning models. Visual prompting is a novel model reprogramming (MR) technique used for fine-tuning pre-trained models, achieving good performance in vision tasks, especially when combined with the label mapping technique. However, the performance of label-mapping-based visual prompting (LM-VP) under adversarial attacks and MIAs lacks evaluation. In this work, we regard the MR of LM-VP as a unified entity, referred to as the LM-VP model, and take a step toward jointly evaluating the adversarial robustness and privacy of LM-VP models. Experimental results show that the choice of pre-trained models significantly affects the white-box adversarial robustness of LM-VP, and standard AT even substantially degrades its performance. In contrast, transfer AT-trained LM-VP achieves a good trade-off between transferred adversarial robustness and privacy, a finding that has been consistently validated across various pre-trained models.


DMC-VB: A Benchmark for Representation Learning for Control with Visual Distractors

Neural Information Processing Systems

Learning from previously collected data via behavioral cloning or offline reinforcement learning (RL) is a powerful recipe for scaling generalist agents by avoiding the need for expensive online learning. Despite strong generalization in some respects, agents are often remarkably brittle to minor visual variations in control-irrelevant factors such as the background or camera viewpoint. In this paper, we present theDeepMind Control Visual Benchmark (DMC-VB), a dataset collected in the DeepMind Control Suite to evaluate the robustness of offline RL agents for solving continuous control tasks from visual input in the presence of visual distractors. In contrast to prior works, our dataset (a) combines locomotion and navigation tasks of varying difficulties, (b) includes static and dynamic visual variations, (c) considers data generated by policies with different skill levels, (d) systematically returns pairs of state and pixel observation, (e) is an order of magnitude larger, and (f) includes tasks with hidden goals. Accompanying our dataset, we propose three benchmarks to evaluate representation learning methods for pretraining, and carry out experiments on several recently proposed methods. First, we find that pretrained representations do not help policy learning on DMC-VB, and we highlight a large representation gap between policies learned on pixel observations and on states. Second, we demonstrate when expert data is limited, policy learning can benefit from representations pretrained on (a) suboptimal data, and (b) tasks with stochastic hidden goals.


When Stability Fails: Hidden Failure Modes Of LLMS in Data-Constrained Scientific Decision-Making

arXiv.org Machine Learning

Large language models (LLMs) are increasingly used as decision-support tools in data-constrained scientific workflows, where correctness and validity are critical. However, evaluation practices often emphasize stability or reproducibility across repeated runs. While these properties are desirable, stability alone does not guar- antee agreement with statistical ground truth when such references are available. We introduce a controlled behavioral evaluation framework that explicitly sep- arates four dimensions of LLM decision-making: stability, correctness, prompt sensitivity, and output validity under fixed statistical inputs. We evaluate multi- ple LLMs using a statistical gene prioritization task derived from differential ex- pression analysis across prompt regimes involving strict and relaxed significance thresholds, borderline ranking scenarios, and minor wording variations. Our ex- periments show that LLMs can exhibit near-perfect run-to-run stability while sys- tematically diverging from statistical ground truth, over-selecting under relaxed thresholds, responding sharply to minor prompt wording changes, or producing syntactically plausible gene identifiers absent from the input table. Although sta- bility reflects robustness across repeated runs, it does not guarantee agreement with statistical ground truth in structured scientific decision tasks. These findings highlight the importance of explicit ground-truth validation and output validity checks when deploying LLMs in automated or semi-automated scientific work- flows.


SympFormer: Accelerated attention blocks via Inertial Dynamics on Density Manifolds

arXiv.org Machine Learning

Transformers owe much of their empirical success in natural language processing to the self-attention blocks. Recent perspectives interpret attention blocks as interacting particle systems, whose mean-field limits correspond to gradient flows of interaction energy functionals on probability density spaces equipped with Wasserstein-$2$-type metrics. We extend this viewpoint by introducing accelerated attention blocks derived from inertial Nesterov-type dynamics on density spaces. In our proposed architecture, tokens carry both spatial (feature) and velocity variables. The time discretization and the approximation of accelerated density dynamics yield Hamiltonian momentum attention blocks, which constitute the proposed accelerated attention architectures. In particular, for linear self-attention, we show that the attention blocks approximate a Stein variational gradient flow, using a bilinear kernel, of a potential energy. In this setting, we prove that elliptically contoured probability distributions are preserved by the accelerated attention blocks. We present implementable particle-based algorithms and demonstrate that the proposed accelerated attention blocks converge faster than the classical attention blocks while preserving the number of oracle calls.


SLED: Self Logits Evolution Decoding for Improving Factuality in Large Language Models

Neural Information Processing Systems

Large language models (LLMs) have demonstrated remarkable capabilities, but their outputs can sometimes be unreliable or factually incorrect. To address this, we introduce Self Logits Evolution Decoding (SLED), a novel decoding framework that enhances the truthfulness of LLMs without relying on external knowledge bases or requiring further fine-tuning. From an optimization perspective, our SLED framework leverages the latent knowledge embedded within the LLM by contrasting the output logits from the final layer with those from early layers. It then utilizes an approximate gradient approach to enable latent knowledge to guide the self-refinement of outputs, thereby effectively improving factual accuracy. Extensive experiments have been conducted on established benchmarks across a diverse range of model families (LLaMA 2, LLaMA 3, Gemma) and scales (from 2B to 70B), including more advanced architectural configurations such as the mixture of experts (MoE).