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Optimization · Non-Convex

Omar Bennouna, Jiawei Zhang, Saurabh Amin, Asuman Ozdaglar

Contextual optimization problems are prevalent in decision-making applications where historical data and contextual features are used to learn predictive models that inform optimal actions. However, practical applications often suffer from model misspecification due to incomplete knowledge of the underlying data-generating process, leading to suboptimal decisions. Existing approaches primarily address the well-specified case, leaving a critical gap in handling misspecified models. In this paper, we propose a novel Integrated Learning and Optimization (ILO) framework that explicitly accounts for model misspecification by introducing a tractable surrogate loss function with strong theoretical guarantees on generalizability, tractability, and optimality. Our surrogate loss aligns with the true decision performance objective, ensuring robustness to misspecification without imposing restrictive assumptions. The proposed approach effectively mitigates the challenges of non-convexity and non-smoothness in the target loss function, leading to efficient optimization procedures. We provide rigorous theoretical analysis and experimental validation, demonstrating superior performance compared to state-of-the-art methods. Our work offers a principled solution to the practically relevant challenge of model misspecification in contextual optimization.

General Machine Learning · Kernel methods

Ashkan Soleymani, Behrooz Tahmasebi, Stefanie Jegelka, Patrick Jaillet

We study the statistical-computational trade-offs for learning with exact invariances (or symmetries) using kernel regression. Traditional methods, such as data augmentation, group averaging, canonicalization, and frame-averaging, either fail to provide a polynomial-time solution or are not applicable in the kernel setting. However, with oracle access to the geometric properties of the input space, we propose a polynomial-time algorithm that learns a classifier with \emph{exact} invariances. Moreover, our approach achieves the same excess population risk (or generalization error) as the original kernel regression problem. To the best of our knowledge, this is the first polynomial-time algorithm to achieve exact (as opposed to approximate) invariances in this setting, partially addressing a question posed by Diaz (2025) regarding the avoidance of prohibitively large and computationally intensive group averaging methods in kernel regression with exact invariances. Our proof leverages tools from differential geometry, spectral theory, and optimization. A key result in our development is a new reformulation of the problem of learning under invariances as optimizing an infinite number of linearly constrained convex quadratic programs, which may be of independent interest.

General Machine Learning · Representation Learning

Mattia Opper, Siddharth N

We present Banyan, a model that efficiently learns semantic representations by leveraging explicit hierarchical structure. While transformers excel at scale, they struggle in low-resource settings. Conversely recent structured models have shown promise as efficient learners, but lack performance. Banyan bridges this gap with two key innovations: an entangled hierarchical tree structure and diagonalized message passing, enabling it to outperform larger transformer models with just 14 non-embedding parameters. It excels in low-resource settings, offering a viable alternative for under-represented languages and highlighting its potential for efficient, interpretable NLP in resource-constrained environments.

Deep Learning · Algorithms

Kyle Richardson, Vivek Srikumar, Ashish Sabharwal

Recent direct preference alignment algorithms (DPA), such as DPO, have shown great promise in aligning large language models to human preferences. While this has motivated the development of many new variants of the original DPO loss, understanding the differences between these recent proposals, as well as developing new DPA loss functions, remains difficult given the lack of a technical and conceptual framework for reasoning about the underlying semantics of these algorithms. In this paper, we attempt to remedy this by formalizing DPA losses in terms of discrete reasoning problems. Specifically, we ask: Given an existing DPA loss, can we systematically derive a symbolic program that characterizes its semantics? We propose a novel formalism for characterizing preference losses for single model and reference model based approaches, and identify symbolic forms for a number of commonly used DPA variants. Further, we show how this formal view of preference learning sheds new light on both the size and structure of the DPA loss landscape, making it possible to not only rigorously characterize the relationships between recent loss proposals but also to systematically explore the landscape and derive new loss functions from first principles. We hope our framework and findings will help provide useful guidance to those working on human AI alignment.

Theory · Reinforcement Learning and Planning

Jiachen Hu, Rui Ai, Han Zhong, Xiaoyu Chen, Liwei Wang, Zhaoran Wang, Zhuoran Yang

Information asymmetry is a pervasive feature of multi-agent systems, especially evident in economics and social sciences. In these settings, agents tailor their actions based on private information to maximize their rewards. These strategic behaviors often introduce complexities due to confounding variables. Simultaneously, knowledge transportability poses another significant challenge, arising from the difficulties of conducting experiments in target environments. It requires transferring knowledge from environments where empirical data is more readily available. Against these backdrops, this paper explores a fundamental question in online learning: Can we employ non-i.i.d. actions to learn about confounders even when requiring knowledge transfer? We present a sample-efficient algorithm designed to accurately identify system dynamics under information asymmetry and to navigate the challenges of knowledge transfer effectively in reinforcement learning, framed within an online strategic interaction model. Our method provably achieves learning of an $\epsilon$-optimal policy with a tight sample complexity of $\tilde{O}(1/\epsilon^2)$.

Deep Learning · Large Language Models

Semyon Savkin, Eitan Porat, Or Ordentlich, Yury Polyanskiy

Post-training quantization (PTQ) has emerged as a critical technique for efficient deployment of large language models (LLMs). This work proposes NestQuant, a novel PTQ scheme for weights and activations that is based on self-similar nested lattices. Recent works have mathematically shown such quantizers to be information-theoretically optimal for low-precision matrix multiplication. We implement a practical low-complexity version of NestQuant based on Gosset lattice, making it a drop-in quantizer for any matrix multiplication step (e.g., in self-attention, MLP etc). For example, NestQuant quantizes weights, KV-cache, and activations of Llama-3-8B to 4 bits, achieving perplexity of 6.6 on wikitext2. This represents more than 55\% reduction in perplexity gap with respect to unquantized model (perplexity of 6.14) compared to state-of-the-art Meta's SpinQuant (perplexity 7.3), OstQuant (7.3) and QuaRot (8.2). Comparisons on bigger models (up to 70B) and on various LLM evaluation benchmarks confirm uniform superiority of NestQuant.

Applications · Health / Medicine

Kangyu Zhu, Peng Xia, Yun Li, Hongtu Zhu, Sheng Wang, Huaxiu Yao

The advancement of Large Vision-Language Models (LVLMs) has propelled their application in the medical field. However, Medical LVLMs (Med-LVLMs) encounter factuality challenges due to modality misalignment, where the models prioritize textual knowledge over visual input, leading to hallucinations that contradict information in medical images. Previous attempts to enhance modality alignment in Med-LVLMs through preference optimization have inadequately addressed clinical relevance in preference data, making these samples easily distinguishable and reducing alignment effectiveness. In response, we propose MMedPO, a novel multimodal medical preference optimization approach that considers the clinical relevance of preference samples to enhance Med-LVLM alignment. MMedPO curates multimodal preference data by introducing two types of dispreference: (1) plausible hallucinations injected through target Med-LVLMs or GPT-4o to produce medically inaccurate responses, and (2) lesion region neglect achieved through local lesion-noising, disrupting visual understanding of critical areas. We then calculate clinical relevance for each sample based on scores from multiple Med-LLMs and visual tools, enabling effective alignment. Our experiments demonstrate that MMedPO significantly enhances factual accuracy in Med-LVLMs, achieving substantial improvements over existing preference optimization methods by 14.2% and 51.7% on the Med-VQA and report generation tasks, respectively. Our code are available in https://github.com/aiming-lab/MMedPO}{https://github.com/aiming-lab/MMedPO.

General Machine Learning · Representation Learning

Runtian Zhai, Kai Yang, Burak VARICI, Che-Ping Tsai, Zico Kolter, Pradeep Ravikumar

Despite the empirical success of foundation models, we do not have a systematic characterization of the representations that these models learn. In this paper, we establish the contexture theory.It shows that a large class of representation learning methods can be characterized as learning from the association between the input and a context variable. Specifically, we show that many popular methods aim to approximate the top-d singular functions of the expectation operator induced by the context, in which case we say that the representation learns the contexture.We demonstrate the generality of the contexture theory by proving that representation learning within various learning paradigms -- supervised, self-supervised, and manifold learning -- can all be studied from such a perspective.We prove that representations that learn the contexture are optimal on those tasks that are compatible with the context.One important implication of our theory is that once the model is large enough to approximate the top singular functions, scaling up the model size yields diminishing returns, so further improvement requires better contexts.To this end, we study how to evaluate a context without knowing the downstream tasks. We propose a metric and show by experiments that it correlates well with the actual performance of the encoder on many real datasets.

Deep Learning · Large Language Models

Tim Vieira, Tianyu Liu, Clemente Pasti, Yahya Emara, Brian DuSell, Benjamin LeBrun, Mario Giulianelli, Juan Luis Gastaldi, Timothy O'Donnell, Ryan Cotterell

Modern language models represent probability distributions over character strings as distributions over (shorter) token strings derived via a deterministic tokenizer, such as byte-pair encoding. While this approach is highly effective at scaling up language models to large corpora, its current incarnations have a concerning property: the model assigns nonzero probability mass to an exponential number of *noncanonical* token encodings of each character string—these are token strings that decode to valid character strings but are impossible under the deterministic tokenizer (i.e., they will never be seen in any training corpus, no matter how large). This misallocation is both erroneous, as noncanonical strings never appear in training data, and wasteful, diverting probability mass away from plausible outputs. These are avoidable mistakes! In this work, we propose methods to enforce canonicality in token-level language models, ensuring that only canonical token strings are assigned positive probability. We present two approaches: (1) canonicality by conditioning, leveraging test-time inference strategies without additional training, and (2) canonicality by construction, a model parameterization that guarantees canonical outputs but requires training. We demonstrate that fixing canonicality mistakes improves the likelihood of held-out data for several models and corpora.

Social Aspects · Safety

Yik Siu Chan, Narutatsu Ri, Yuxin Xiao, Marzyeh Ghassemi

Despite extensive safety alignment efforts, large language models (LLMs) remain vulnerable to jailbreak attacks that elicit harmful behavior. While existing studies predominantly focus on attack methods that require technical expertise, two critical questions remain underexplored: (1) Are jailbroken responses truly useful in enabling average users to carry out harmful actions? (2) Do safety vulnerabilities exist in more common, simple human-LLM interactions? In this paper, we demonstrate that LLM responses most effectively facilitate harmful actions when they are both *actionable* and *informative*---two attributes easily elicited in multi-step, multilingual interactions. Using this insight, we propose HarmScore, a jailbreak metric that measures how effectively an LLM response enables harmful actions, and Speak Easy, a simple multi-step, multilingual attack framework. Notably, by incorporating Speak Easy into direct request and jailbreak baselines, we see an average absolute increase of $0.319$ in Attack Success Rate and $0.426$ in HarmScore in both open-source and proprietary LLMs across four safety benchmarks. Our work reveals a critical yet often overlooked vulnerability: Malicious users can easily exploit common interaction patterns for harmful intentions.

Applications · Neuroscience, Cognitive Science

Kairong Yu, Tianqing Zhang, Qi Xu, Gang Pan, Hongwei Wang

Spiking Neural Networks (SNNs) are increasingly recognized for their biological plausibility and energy efficiency, positioning them as strong alternatives to Artificial Neural Networks (ANNs) in neuromorphic computing applications. SNNs inherently process temporal information by leveraging the precise timing of spikes, but balancing temporal feature utilization with low energy consumption remains a challenge. In this work, we introduce Temporal Shift module for Spiking Neural Networks (TS-SNN), which incorporates a novel Temporal Shift (TS) module to integrate past, present, and future spike features within a single timestep via a simple yet effective shift operation. A residual combination method prevents information loss by integrating shifted and original features. The TS module is lightweight, requiring only one additional learnable parameter, and can be seamlessly integrated into existing architectures with minimal additional computational cost. TS-SNN achieves state-of-the-art performance on benchmarks like CIFAR-10 (96.72\%), CIFAR-100 (80.28\%), and ImageNet (70.61\%) with fewer timesteps, while maintaining low energy consumption. This work marks a significant step forward in developing efficient and accurate SNN architectures.

Applications · Chemistry, Physics, and Earth Sciences

Koen Minartz, Tim d'Hondt, Leon Hillmann, Jörn Starruß, Lutz Brusch, Vlado Menkovski

The cellular Potts model (CPM) is a powerful computational method for simulating collective spatiotemporal dynamics of biological cells.To drive the dynamics, CPMs rely on physics-inspired Hamiltonians. However, as first principles remain elusive in biology, these Hamiltonians only approximate the full complexity of real multicellular systems.To address this limitation, we propose NeuralCPM, a more expressive cellular Potts model that can be trained directly on observational data.At the core of NeuralCPM lies the Neural Hamiltonian, a neural network architecture that respects universal symmetries in collective cellular dynamics.Moreover, this approach enables seamless integration of domain knowledge by combining known biological mechanisms and the expressive Neural Hamiltonian into a hybrid model.Our evaluation with synthetic and real-world multicellular systems demonstrates that NeuralCPM is able to model cellular dynamics that cannot be accounted for by traditional analytical Hamiltonians.

Social Aspects · Security

Chhavi Yadav, Evan Laufer, Dan Boneh, Kamalika Chaudhuri

In principle, explanations are intended as a way to increase trust in machine learning models and are often obligated by regulations. However, many circumstances where these are demanded are adversarial in nature, meaning the involved parties have misaligned interests and are incentivized to manipulate explanations for their purpose. As a result, explainability methods fail to be operational in such settings despite the demand. In this paper, we take a step towards operationalizing explanations in adversarial scenarios with Zero-Knowledge Proofs (ZKPs), a cryptographic primitive. Specifically we explore ZKP-amenable versions of the popular explainability algorithm LIME and evaluate their performance on Neural Networks and Random Forests. Our code is publicly available at : \url{https://github.com/emlaufer/ExpProof}.

Deep Learning · Foundation Models

Fengbin Guan, Xin Li, Zihao Yu, Yiting Lu, Zhibo Chen

In this work, we take the first exploration of the recently popular foundation model, *i.e.,* State Space Model/Mamba, in image quality assessment (IQA), aiming at observing and excavating the perception potential in vision Mamba. A series of works on Mamba has shown its significant potential in various fields, *e.g.,* segmentation and classification. However, the perception capability of Mamba remains under-explored. Consequently, we propose QMamba by revisiting and adapting the Mamba model for three crucial IQA tasks, *i.e.,* task-specific, universal, and transferable IQA, which reveals its clear advantages over existing foundational models, *e.g.,* Swin Transformer, ViT, and CNNs, in terms of perception and computational cost. To improve the transferability of QMamba, we propose the StylePrompt tuning paradigm, where lightweight mean and variance prompts are injected to assist task-adaptive transfer learning of pre-trained QMamba for different downstream IQA tasks. Compared with existing prompt tuning strategies, our StylePrompt enables better perceptual transfer with lower computational cost. Extensive experiments on multiple synthetic, authentic IQA datasets, and cross IQA datasets demonstrate the effectiveness of our proposed QMamba.

General Machine Learning · Clustering

Xinyue Chen, Jinfeng Peng, Yuhao Li, Xiaorong Pu, Yang Yang, Yazhou Ren

Recently, federated multi-view clustering (FedMVC) has gained attention for its ability to mine complementary clustering structures from multiple clients without exposing private data. Existing methods mainly focus on addressing the feature heterogeneity problem brought by views on different clients and mitigating it using shared client information. Although these methods have achieved performance improvements, the information they choose to share, such as model parameters or intermediate outputs, inevitably raises privacy concerns. In this paper, we propose an Effective and Secure Federated Multi-view Clustering method, ESFMC, to alleviate the dilemma between privacy protection and performance improvement. This method leverages the information-theoretic perspective to split the features extracted locally by clients, retaining sensitive information locally and only sharing features that are highly relevant to the task. This can be viewed as a form of privacy-preserving information sharing, reducing privacy risks for clients while ensuring that the server can mine high-quality global clustering structures. Theoretical analysis and extensive experiments demonstrate that the proposed method more effectively mitigates the trade-off between privacy protection and performance improvement compared to state-of-the-art methods.

Social Aspects · Privacy

Anastasiia Koloskova, Youssef Allouah, Animesh Jha, Rachid Guerraoui, Sanmi Koyejo

We address the problem of machine unlearning, where the goal is to remove the influence of specific training data from a model upon request, motivated by privacy concerns and regulatory requirements such as the “right to be forgotten.” Unfortunately, existing methods rely on restrictive assumptions or lack formal guarantees.To this end, we propose a novel method for certified machine unlearning, leveraging the connection between unlearning and privacy amplification by stochastic post-processing. Our method uses noisy fine-tuning on the retain data, i.e., data that does not need to be removed, to ensure provable unlearning guarantees. This approach requires no assumptions about the underlying loss function, making it broadly applicable across diverse settings. We analyze the theoretical trade-offs in efficiency and accuracy and demonstrate empirically that our method not only achieves formal unlearning guarantees but also performs effectively in practice, outperforming existing baselines.

Deep Learning · Everything Else

Edward Milsom, Ben Anson, Laurence Aitchison

We consider layerwise function-space learning rates, which measure the magnitude of the change in a neural network's output function in response to an update to a parameter tensor. This contrasts with traditional learning rates, which describe the magnitude of changes in parameter space. We develop efficient methods to measure and set function-space learning rates in arbitrary neural networks, requiring only minimal computational overhead through a few additional backward passes that can be performed at the start of, or periodically during, training. We demonstrate two key applications: (1) analysing the dynamics of standard neural network optimisers in function space, rather than parameter space, and (2) introducing FLeRM (Function-space Learning Rate Matching), a novel approach to hyperparameter transfer across model scales. FLeRM records function-space learning rates while training a small, cheap base model, then automatically adjusts parameter-space layerwise learning rates when training larger models to maintain consistent function-space updates. FLeRM gives hyperparameter transfer across model width, depth, initialisation scale, and LoRA rank in various architectures including MLPs with residual connections and transformers with different layer normalisation schemes.

Deep Learning

Thieu Vo, Viet Hoang Tran, Tho Tran Huu, An Nguyen The, Thanh Tran, Minh-Khoi Nguyen-Nhat, Duy-Tung Pham, Tan Nguyen

A neural functional network (NFN) is a specialized type of neural network designed to process and learn from entire neural networks as input data. Recent NFNs have been proposed with permutation and scaling equivariance based on either graph-based message-passing mechanisms or parameter-sharing mechanisms. Compared to graph-based models, parameter-sharing-based NFNs built upon equivariant linear layers exhibit lower memory consumption and faster running time. However, their expressivity is limited due to the large size of the symmetric group of the input neural networks. The challenge of designing a permutation and scaling equivariant NFN that maintains low memory consumption and running time while preserving expressivity remains unresolved. In this paper, we propose a novel solution with the development of MAGEP-NFN (**M**onomial m**A**trix **G**roup **E**quivariant **P**olynomial **NFN**). Our approach follows the parameter-sharing mechanism but differs from previous works by constructing a nonlinear equivariant layer represented as a polynomial in the input weights. This polynomial formulation enables us to incorporate additional relationships between weights from different input hidden layers, enhancing the model's expressivity while keeping memory consumption and running time low, thereby addressing the aforementioned challenge. We provide empirical evidence demonstrating that MAGEP-NFN achieves competitive performance and efficiency compared to existing baselines.

Theory · Reinforcement Learning and Planning

Xingyu Zhou, Yulian Wu, Wenqian Weng, Francesco Orabona

In this paper, we theoretically study the offline alignment of language models with human preference feedback, under both preference label corruption and privacy protections. To this end, we propose a variant of \texttt{$\chi$PO} -- \texttt{Square}\texttt{$\chi$PO}, which is a simple one-line change of \texttt{$\chi$PO} with the standard log-loss replaced by a new square loss over probability. Thanks to the inherent nice properties of this new loss, we have advanced the state-of-the-art of differentially private and robust alignment. Specifically, for the local model of label privacy, \texttt{Square}\texttt{$\chi$PO} is the first one that attains optimal rate based on single-policy concentrability even with general function approximations. It also gives the first result under the central model of privacy protection over both prompts (responses) and labels. On the robustness side against Huber label corruption, \texttt{Square}\texttt{$\chi$PO} is the first alignment method that has a meaningful theoretical guarantee under general function approximations. More importantly, \texttt{Square}\texttt{$\chi$PO} can address privacy protection and corruption \emph{simultaneously}, where an interesting separation is observed, implying that the order of privacy and corruption matters. Furthermore, we show that \texttt{Square}\texttt{$\chi$PO} can also be easily extended to handle the scenario of the general preference model with state-of-the-art guarantees under corruption and privacy. Last but not least, all of our theoretical guarantees enjoy a unified analysis, building upon a new result on the generalization error bounds of least-square regression under corruption and privacy constraints, which we believe is of independent interest to the community.

Theory · Online Learning and Bandits

Junyan Liu, Lillian Ratliff

We study the repeated principal-agent bandit game, where the principal indirectly explores an unknown environment by incentivizing an agent to play arms. Unlike prior work that assumes a greedy agent with full knowledge of reward means, we consider a self-interested learning agent who iteratively updates reward estimates and may explore arbitrarily with some probability.As a warm-up, we first consider a self-interested learning agent without exploration.We propose algorithms for both i.i.d. and linear reward settings with bandit feedback in a finite horizon $T$, achieving regret bounds of $\widetilde{O}(\sqrt{T})$ and $\widetilde{O}(T^{\frac{2}{3}})$, respectively. Specifically, these algorithms rely on a novel elimination framework coupled with new search algorithms which accommodate the uncertainty from the agent's learning behavior. We then extend the framework to handle an exploratory learning agent and develop an algorithm to achieve a $\widetilde{O}(T^{\frac{2}{3}})$ regret bound in i.i.d. reward setup by enhancing the robustness of our elimination framework to the potential agent exploration. Finally, when our agent model reduces to that in (Dogan et al., 2023a), we propose an algorithm based on our robust framework, which achieves a $\widetilde{O}(\sqrt{T})$ regret bound, significantly improving upon their $\widetilde{O}(T^{\frac{11}{12}})$ bound.