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Aug 14

Beyond Red-Teaming: Formal Guarantees of LLM Guardrail Classifiers

Guardrail Classifiers defend production language models against harmful behavior, but although results seem promising in testing, they provide no formal guarantees. Providing formal guarantees for such models is hard because "harmful behavior" has no natural specification in a discrete input space: and the standard epsilon-ball properties used in other domains do not carry semantic meaning. We close this gap by shifting verification from the discrete input space to the classifier's pre-activation space, where we define a harmful region as a convex shape enclosing the representations of known harmful prompts. Because the sigmoid classification head is monotonic, certifying the worst-case point is sufficient to certify the entire region, yielding a closed-form soundness proof without approximation in O(d) time. To formally evaluate these classifiers, we propose two constructions of such regions: SVD-aligned hyper-rectangles, which yield exact SAT/UNSAT certificates, and Gaussian Mixture Models, which yield probabilistic certificates over semantically coherent clusters. Applying this framework to three author-trained Guardrail Classifiers on the toxicity domain, every hyper-rectangle configuration returns SAT, exposing verifiable safety holes across all classifiers, despite seemingly high empirical metrics. Probabilistic GMM certificates also expose a divergent structural stability in how these models represent harm. While GPT-2 and Llama-3.1-8B maintain robust coverage of 90% and 80% across varying boundaries, BERT's safety guarantees prove uniquely volatile. This 'coverage collapse' to 55% at the optimal threshold reveals a sparsely populated safety margin in BERT, which only achieves full coverage by adopting an extremely conservative pessimistic threshold. These approaches combined, provide new insights on how effective Guardrail Classifiers really are, beyond traditional red-teaming.

  • 4 authors
·
May 10

How Hard Can It Be? Hardness-Aware Multi-Objective Unlearning

Machine unlearning aims to remove the influence of specific forget training data due to privacy, copyright or bias concerns while maintaining the model performance on the remaining retain data. Existing unlearning algorithms, such as optimizing a weighted combination of losses, have tried to achieve these objectives of improving forget quality and maintaining retain utility. However, they do not guarantee that these objectives can be improved by a specified extent for all forget and retain data. In this work, we address this limitation with a novel and theoretically-grounded approach from a constrained optimization perspective. Firstly, we identify that the hardness of reconciling both objectives can be quantified by the similarity between the forget data and the retain data. Next, we derive an unlearning algorithm (HAMU) with the overall goal of guaranteeing a specified improvement in forget quality while minimizing the retain utility cost/degradation by updating the model weights based on our hardness measure. Our hardness measure also informs users when retain utility degradation is unavoidable, i.e., both objectives cannot be improved simultaneously, and stopping should be considered. Our algorithm is applicable to non-convex models and is easily parallelizable, making it readily deployable in real-world scenarios. We empirically demonstrate HAMU's superior performance over baselines on both image and text datasets using large models. Our code is available at https://github.com/aoi3142/HAMU.

Bounding Hallucinations: Information-Theoretic Guarantees for RAG Systems via Merlin-Arthur Protocols

Retrieval-augmented generation (RAG) relies on retrieved context to guide large language models (LLM), yet treats retrieval as a weak heuristic rather than verifiable evidence -- leading to unsupported answers, hallucinations, and reliance on spurious context. We introduce a novel training framework that treats the RAG pipeline as an interactive proof system by adapting the Merlin-Arthur (M/A) protocol: Arthur (the generator LLM) trains on questions with unknown context provenance and Merlin gives helpful evidence, while Morgana injects adversarial, misleading context. Both use an XAI method to identify and modify evidence most influential to Arthur. This trains Arthur to (1) answer when evidence supports the answer, (2) reject when evidence is insufficient, and (3) rely on the context spans that truly ground the answer. We further introduce a verification framework that disentangles explanation fidelity from model predictive errors, and introduce the Explained Information Fraction (EIF), which normalizes M/A mutual-information guarantees. Across three RAG datasets and multiple LLM families and sizes, M/A training makes LLMs more grounded in evidence, increases information theoretic measures (soundness, completeness) and reject behavior with less hallucinations, without manually annotated unanswerable samples. Finally, the retriever also improves recall and MRR via automatically generated M/A hard positives and negatives. While high accuracy does not guarantee entropy flow from context to answer, our EIF results show that autonomous interactive-proof-style supervision enables RAG systems that treat retrieved documents as verifiable evidence. % rather than suggestions.

  • 4 authors
·
Jan 29

Certified Circuits: Stability Guarantees for Mechanistic Circuits

Understanding how neural networks arrive at their predictions is essential for debugging, auditing, and deployment. Mechanistic interpretability pursues this goal by identifying circuits--minimal subnetworks responsible for specific behaviors. However, existing circuit discovery methods are brittle: circuits depend strongly on the chosen concept dataset and often fail to transfer out-of-distribution, raising doubts whether they capture the concept or merely dataset-specific artifacts. We introduce Certified Circuits, which provide provable stability guarantees for circuit discovery. Our framework wraps any black-box discovery algorithm with randomized data subsampling to certify that inclusion decisions over circuit components--neurons or edges of the model graph, depending on the base algorithm--are invariant to bounded edit-distance perturbations of the concept dataset. Unstable components are abstained from, yielding circuits that are more compact and more accurate. We validate across three architectures (ResNet, ViT, GPT-2) on vision (ImageNet and four OOD datasets) and language (IOI, IOI-Hard, Greater-Than) tasks. Certified circuits achieve up to 56% higher accuracy and up to 80% fewer components, and remain reliable where baselines degrade. Certified Circuits puts circuit discovery on formal ground by producing mechanistic explanations that are provably stable and better aligned with the target concept. Code: https://github.com/AlaaAnani/certified-circuits.

  • 5 authors
·
May 27

SkillNav: Score-Level Skill Intervention for Zero-Shot Object Goal Navigation

Vision-Language Model (VLM) agents have advanced zero-shot object-goal navigation, yet single-frame reasoning leaves them without the cross-step behavioral awareness an embodied navigator requires, producing recurring failures such as dead-end stalls, in-room loops, and circuitous approaches to detected targets. Prompt-based remedies inflate token budgets across multi-submodule episodes and still struggle to encode inherently spatial signals such as angles, map cells, and viewpoint coordinates. In this paper, we propose SkillNav, an extensible behavioral skill framework for VLM-based navigation that treats the curiosity value map already maintained by modern VLM navigators as a writable substrate on which composable skills inscribe behavioral memory at zero token cost. Skills are stratified into three tiers by their level of behavioral authority, namely soft scaling for proportional reweighting, lower-bound boost for region-level guarantees, and hard override for threshold-triggered forced actions, and cooperate across tiers under a fixed composition order that establishes a predictable, declared priority among skills. This design turns capability improvement into skill registration: new behaviors plug in without retraining the VLM or disturbing existing skills, opening a path for continual refinement. A minimal prompt channel complements the score-level skills with category-level semantic hints, yielding a dual-representation design in which spatial memory lives on the map and semantic memory in short prompts. Training-free, SkillNav establishes new state-of-the-art SPL across MP3D (25.5), HM3D v0.1 (39.3), and HM3D v0.2 (43.2), improving SPL by up to 6.0 absolute over the strongest prior method, and achieves the highest Success Rate on HM3D v0.1 (69.7) and v0.2 (75.9).

  • 6 authors
·
Jul 16

Guaranteed Generation from Large Language Models

As large language models (LLMs) are increasingly used across various applications, there is a growing need to control text generation to satisfy specific constraints or requirements. This raises a crucial question: Is it possible to guarantee strict constraint satisfaction in generated outputs while preserving the distribution of the original model as much as possible? We first define the ideal distribution - the one closest to the original model, which also always satisfies the expressed constraint - as the ultimate goal of guaranteed generation. We then state a fundamental limitation, namely that it is impossible to reach that goal through autoregressive training alone. This motivates the necessity of combining training-time and inference-time methods to enforce such guarantees. Based on this insight, we propose GUARD, a simple yet effective approach that combines an autoregressive proposal distribution with rejection sampling. Through GUARD's theoretical properties, we show how controlling the KL divergence between a specific proposal and the target ideal distribution simultaneously optimizes inference speed and distributional closeness. To validate these theoretical concepts, we conduct extensive experiments on two text generation settings with hard-to-satisfy constraints: a lexical constraint scenario and a sentiment reversal scenario. These experiments show that GUARD achieves perfect constraint satisfaction while almost preserving the ideal distribution with highly improved inference efficiency. GUARD provides a principled approach to enforcing strict guarantees for LLMs without compromising their generative capabilities.

  • 6 authors
·
Oct 9, 2024

Certifiers Make Neural Networks Vulnerable to Availability Attacks

To achieve reliable, robust, and safe AI systems, it is vital to implement fallback strategies when AI predictions cannot be trusted. Certifiers for neural networks are a reliable way to check the robustness of these predictions. They guarantee for some predictions that a certain class of manipulations or attacks could not have changed the outcome. For the remaining predictions without guarantees, the method abstains from making a prediction, and a fallback strategy needs to be invoked, which typically incurs additional costs, can require a human operator, or even fail to provide any prediction. While this is a key concept towards safe and secure AI, we show for the first time that this approach comes with its own security risks, as such fallback strategies can be deliberately triggered by an adversary. In addition to naturally occurring abstains for some inputs and perturbations, the adversary can use training-time attacks to deliberately trigger the fallback with high probability. This transfers the main system load onto the fallback, reducing the overall system's integrity and/or availability. We design two novel availability attacks, which show the practical relevance of these threats. For example, adding 1% poisoned data during training is sufficient to trigger the fallback and hence make the model unavailable for up to 100% of all inputs by inserting the trigger. Our extensive experiments across multiple datasets, model architectures, and certifiers demonstrate the broad applicability of these attacks. An initial investigation into potential defenses shows that current approaches are insufficient to mitigate the issue, highlighting the need for new, specific solutions.

  • 3 authors
·
Aug 25, 2021

SEVerA: Verified Synthesis of Self-Evolving Agents

Recent advances have shown the effectiveness of self-evolving LLM agents on tasks such as program repair and scientific discovery. In this paradigm, a planner LLM synthesizes an agent program that invokes parametric models, including LLMs, which are then tuned per task to improve performance. However, existing self-evolving agent frameworks provide no formal guarantees of safety or correctness. Because such programs are often executed autonomously on unseen inputs, this lack of guarantees raises reliability and security concerns. We formulate agentic code generation as a constrained learning problem, combining hard formal specifications with soft objectives capturing task utility. We introduce Formally Guarded Generative Models (FGGM), which allow the planner LLM to specify a formal output contract for each generative model call using first-order logic. Each FGGM call wraps the underlying model in a rejection sampler with a verified fallback, ensuring every returned output satisfies the contract for any input and parameter setting. Building on FGGM, we present SEVerA (Self-Evolving Verified Agents), a three-stage framework: Search synthesizes candidate parametric programs containing FGGM calls; Verification proves correctness with respect to hard constraints for all parameter values, reducing the problem to unconstrained learning; and Learning applies scalable gradient-based optimization, including GRPO-style fine-tuning, to improve the soft objective while preserving correctness. We evaluate SEVerA on Dafny program verification, symbolic math synthesis, and policy-compliant agentic tool use (τ^2-bench). Across tasks, SEVerA achieves zero constraint violations while improving performance over unconstrained and SOTA baselines, showing that formal behavioral constraints not only guarantee correctness but also steer synthesis toward higher-quality agents.

  • 3 authors
·
Mar 25 3

Provably Robust Conformal Prediction with Improved Efficiency

Conformal prediction is a powerful tool to generate uncertainty sets with guaranteed coverage using any predictive model, under the assumption that the training and test data are i.i.d.. Recently, it has been shown that adversarial examples are able to manipulate conformal methods to construct prediction sets with invalid coverage rates, as the i.i.d. assumption is violated. To address this issue, a recent work, Randomized Smoothed Conformal Prediction (RSCP), was first proposed to certify the robustness of conformal prediction methods to adversarial noise. However, RSCP has two major limitations: (i) its robustness guarantee is flawed when used in practice and (ii) it tends to produce large uncertainty sets. To address these limitations, we first propose a novel framework called RSCP+ to provide provable robustness guarantee in evaluation, which fixes the issues in the original RSCP method. Next, we propose two novel methods, Post-Training Transformation (PTT) and Robust Conformal Training (RCT), to effectively reduce prediction set size with little computation overhead. Experimental results in CIFAR10, CIFAR100, and ImageNet suggest the baseline method only yields trivial predictions including full label set, while our methods could boost the efficiency by up to 4.36times, 5.46times, and 16.9times respectively and provide practical robustness guarantee. Our codes are available at https://github.com/Trustworthy-ML-Lab/Provably-Robust-Conformal-Prediction.

  • 3 authors
·
Apr 30, 2024

Sharper Bounds for ell_p Sensitivity Sampling

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

  • 2 authors
·
Jun 1, 2023

Theoretical Foundations of Latent Posterior Factors: Formal Guarantees for Multi-Evidence Reasoning

We present a complete theoretical characterization of Latent Posterior Factors (LPF), a principled framework for aggregating multiple heterogeneous evidence items in probabilistic prediction tasks. Multi-evidence reasoning arises pervasively in high-stakes domains including healthcare diagnosis, financial risk assessment, legal case analysis, and regulatory compliance, yet existing approaches either lack formal guarantees or fail to handle multi-evidence scenarios architecturally. LPF encodes each evidence item into a Gaussian latent posterior via a variational autoencoder, converting posteriors to soft factors through Monte Carlo marginalization, and aggregating factors via exact Sum-Product Network inference (LPF-SPN) or a learned neural aggregator (LPF-Learned). We prove seven formal guarantees spanning the key desiderata for trustworthy AI: Calibration Preservation (ECE <= epsilon + C/sqrt(K_eff)); Monte Carlo Error decaying as O(1/sqrt(M)); a non-vacuous PAC-Bayes bound with train-test gap of 0.0085 at N=4200; operation within 1.12x of the information-theoretic lower bound; graceful degradation as O(epsilon*delta*sqrt(K)) under corruption, maintaining 88% performance with half of evidence adversarially replaced; O(1/sqrt(K)) calibration decay with R^2=0.849; and exact epistemic-aleatoric uncertainty decomposition with error below 0.002%. All theorems are empirically validated on controlled datasets spanning up to 4,200 training examples. Our theoretical framework establishes LPF as a foundation for trustworthy multi-evidence AI in safety-critical applications.

  • 1 authors
·
Mar 13 2

Fantastic Generalization Measures are Nowhere to be Found

We study the notion of a generalization bound being uniformly tight, meaning that the difference between the bound and the population loss is small for all learning algorithms and all population distributions. Numerous generalization bounds have been proposed in the literature as potential explanations for the ability of neural networks to generalize in the overparameterized setting. However, in their paper ``Fantastic Generalization Measures and Where to Find Them,'' Jiang et al. (2020) examine more than a dozen generalization bounds, and show empirically that none of them are uniformly tight. This raises the question of whether uniformly-tight generalization bounds are at all possible in the overparameterized setting. We consider two types of generalization bounds: (1) bounds that may depend on the training set and the learned hypothesis (e.g., margin bounds). We prove mathematically that no such bound can be uniformly tight in the overparameterized setting; (2) bounds that may in addition also depend on the learning algorithm (e.g., stability bounds). For these bounds, we show a trade-off between the algorithm's performance and the bound's tightness. Namely, if the algorithm achieves good accuracy on certain distributions, then no generalization bound can be uniformly tight for it in the overparameterized setting. We explain how these formal results can, in our view, inform research on generalization bounds for neural networks, while stressing that other interpretations of these results are also possible.

  • 4 authors
·
Sep 24, 2023

A Nearly-Optimal Bound for Fast Regression with ell_infty Guarantee

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

  • 4 authors
·
Feb 1, 2023

Harnessing Code Agents for Automatic Software Verification

Formal verification offers the strongest guarantee of software correctness, but it does not scale: the proofs demanded by interactive theorem provers such as Coq require enormous expert effort. Large language models (LLMs) promise to generate these proofs automatically, yet existing approaches wire a fixed, human-designed proof strategy into the system and constrain the model to follow it (retrieving premises and predicting tactics one step at a time, or splitting goals by divide-and-conquer), and still prove only a fraction of their target theorems. We show that imposing such a strategy is unnecessary and limiting. Handing the whole lemma to a general LLM code agent (for example, Claude Code), free to choose its own approach, and wrapping it in a verification harness is both simpler and more effective, achieving full coverage: every targeted lemma proved, with no failures and no Coq expert intervention. The agent writes the proofs under feedback and hard constraints from the harness that keep each one sound (accepted only when the prover's kernel closes it), complete (no obligation left unproved or silently dropped), and terminating (no divergent tactics). We evaluate this harness plus code agent along three dimensions. (1) Core logic: on Iris, the state-of-the-art separation logic for concurrent and memory-manipulating programs, Aria proves all 4,257 lemmas of the four core modules and the 217 lemmas verifying Rust's standard libraries built on it, fully automatically. (2) Comparison with prior LLM provers: on reglang, where prior provers manage barely one in eight, Aria proves all 318. (3) Generality: on iris-lean, the unfinished Lean 4 port of Iris, it proves 72 not-yet-ported lemmas, showing the approach is not specific to Coq. A state-of-the-art model (Claude Opus 4.7) can write proofs for verified software development fully and automatically.

  • 3 authors
·
Jul 6

Scaling physics-informed hard constraints with mixture-of-experts

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

  • 3 authors
·
Feb 20, 2024

Horizon-Free and Variance-Dependent Reinforcement Learning for Latent Markov Decision Processes

We study regret minimization for reinforcement learning (RL) in Latent Markov Decision Processes (LMDPs) with context in hindsight. We design a novel model-based algorithmic framework which can be instantiated with both a model-optimistic and a value-optimistic solver. We prove an O(mathsf{Var^star M Gamma S A K}) regret bound where O hides logarithm factors, M is the number of contexts, S is the number of states, A is the number of actions, K is the number of episodes, Gamma le S is the maximum transition degree of any state-action pair, and Var^star is a variance quantity describing the determinism of the LMDP. The regret bound only scales logarithmically with the planning horizon, thus yielding the first (nearly) horizon-free regret bound for LMDP. This is also the first problem-dependent regret bound for LMDP. Key in our proof is an analysis of the total variance of alpha vectors (a generalization of value functions), which is handled with a truncation method. We complement our positive result with a novel Omega(mathsf{Var^star M S A K}) regret lower bound with Gamma = 2, which shows our upper bound minimax optimal when Gamma is a constant for the class of variance-bounded LMDPs. Our lower bound relies on new constructions of hard instances and an argument inspired by the symmetrization technique from theoretical computer science, both of which are technically different from existing lower bound proof for MDPs, and thus can be of independent interest.

  • 3 authors
·
Oct 20, 2022

Oracle Efficient Algorithms for Groupwise Regret

We study the problem of online prediction, in which at each time step t, an individual x_t arrives, whose label we must predict. Each individual is associated with various groups, defined based on their features such as age, sex, race etc., which may intersect. Our goal is to make predictions that have regret guarantees not just overall but also simultaneously on each sub-sequence comprised of the members of any single group. Previous work such as [Blum & Lykouris] and [Lee et al] provide attractive regret guarantees for these problems; however, these are computationally intractable on large model classes. We show that a simple modification of the sleeping experts technique of [Blum & Lykouris] yields an efficient reduction to the well-understood problem of obtaining diminishing external regret absent group considerations. Our approach gives similar regret guarantees compared to [Blum & Lykouris]; however, we run in time linear in the number of groups, and are oracle-efficient in the hypothesis class. This in particular implies that our algorithm is efficient whenever the number of groups is polynomially bounded and the external-regret problem can be solved efficiently, an improvement on [Blum & Lykouris]'s stronger condition that the model class must be small. Our approach can handle online linear regression and online combinatorial optimization problems like online shortest paths. Beyond providing theoretical regret bounds, we evaluate this algorithm with an extensive set of experiments on synthetic data and on two real data sets -- Medical costs and the Adult income dataset, both instantiated with intersecting groups defined in terms of race, sex, and other demographic characteristics. We find that uniformly across groups, our algorithm gives substantial error improvements compared to running a standard online linear regression algorithm with no groupwise regret guarantees.

  • 5 authors
·
Oct 6, 2023

Incorporating Surrogate Gradient Norm to Improve Offline Optimization Techniques

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

  • 4 authors
·
Mar 6, 2025

Safe Offline Reinforcement Learning with Feasibility-Guided Diffusion Model

Safe offline RL is a promising way to bypass risky online interactions towards safe policy learning. Most existing methods only enforce soft constraints, i.e., constraining safety violations in expectation below thresholds predetermined. This can lead to potentially unsafe outcomes, thus unacceptable in safety-critical scenarios. An alternative is to enforce the hard constraint of zero violation. However, this can be challenging in offline setting, as it needs to strike the right balance among three highly intricate and correlated aspects: safety constraint satisfaction, reward maximization, and behavior regularization imposed by offline datasets. Interestingly, we discover that via reachability analysis of safe-control theory, the hard safety constraint can be equivalently translated to identifying the largest feasible region given the offline dataset. This seamlessly converts the original trilogy problem to a feasibility-dependent objective, i.e., maximizing reward value within the feasible region while minimizing safety risks in the infeasible region. Inspired by these, we propose FISOR (FeasIbility-guided Safe Offline RL), which allows safety constraint adherence, reward maximization, and offline policy learning to be realized via three decoupled processes, while offering strong safety performance and stability. In FISOR, the optimal policy for the translated optimization problem can be derived in a special form of weighted behavior cloning. Thus, we propose a novel energy-guided diffusion model that does not require training a complicated time-dependent classifier to extract the policy, greatly simplifying the training. We compare FISOR against baselines on DSRL benchmark for safe offline RL. Evaluation results show that FISOR is the only method that can guarantee safety satisfaction in all tasks, while achieving top returns in most tasks.

  • 7 authors
·
Jan 19, 2024

Sparse Knowledge Distillation: A Mathematical Framework for Probability-Domain Temperature Scaling and Multi-Stage Compression

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

  • 2 authors
·
Jan 6

Offline Guarded Safe Reinforcement Learning for Medical Treatment Optimization Strategies

When applying offline reinforcement learning (RL) in healthcare scenarios, the out-of-distribution (OOD) issues pose significant risks, as inappropriate generalization beyond clinical expertise can result in potentially harmful recommendations. While existing methods like conservative Q-learning (CQL) attempt to address the OOD issue, their effectiveness is limited by only constraining action selection by suppressing uncertain actions. This action-only regularization imitates clinician actions that prioritize short-term rewards, but it fails to regulate downstream state trajectories, thereby limiting the discovery of improved long-term treatment strategies. To safely improve policy beyond clinician recommendations while ensuring that state-action trajectories remain in-distribution, we propose Offline Guarded Safe Reinforcement Learning (OGSRL), a theoretically grounded model-based offline RL framework. OGSRL introduces a novel dual constraint mechanism for improving policy with reliability and safety. First, the OOD guardian is established to specify clinically validated regions for safe policy exploration. By constraining optimization within these regions, it enables the reliable exploration of treatment strategies that outperform clinician behavior by leveraging the full patient state history, without drifting into unsupported state-action trajectories. Second, we introduce a safety cost constraint that encodes medical knowledge about physiological safety boundaries, providing domain-specific safeguards even in areas where training data might contain potentially unsafe interventions. Notably, we provide theoretical guarantees on safety and near-optimality: policies that satisfy these constraints remain in safe and reliable regions and achieve performance close to the best possible policy supported by the data.

  • 6 authors
·
May 22, 2025

Understanding Certified Training with Interval Bound Propagation

As robustness verification methods are becoming more precise, training certifiably robust neural networks is becoming ever more relevant. To this end, certified training methods compute and then optimize an upper bound on the worst-case loss over a robustness specification. Curiously, training methods based on the imprecise interval bound propagation (IBP) consistently outperform those leveraging more precise bounding methods. Still, we lack an understanding of the mechanisms making IBP so successful. In this work, we thoroughly investigate these mechanisms by leveraging a novel metric measuring the tightness of IBP bounds. We first show theoretically that, for deep linear models, tightness decreases with width and depth at initialization, but improves with IBP training, given sufficient network width. We, then, derive sufficient and necessary conditions on weight matrices for IBP bounds to become exact and demonstrate that these impose strong regularization, explaining the empirically observed trade-off between robustness and accuracy in certified training. Our extensive experimental evaluation validates our theoretical predictions for ReLU networks, including that wider networks improve performance, yielding state-of-the-art results. Interestingly, we observe that while all IBP-based training methods lead to high tightness, this is neither sufficient nor necessary to achieve high certifiable robustness. This hints at the existence of new training methods that do not induce the strong regularization required for tight IBP bounds, leading to improved robustness and standard accuracy.

  • 4 authors
·
Jun 17, 2023

Taming the Fragility of KV Cache Eviction in LLM Inference

Large language models have revolutionized natural language processing, yet their deployment remains hampered by the substantial memory and runtime overhead of the transformer's Key-Value cache. To mitigate this, recent methods employ a scoring-aggregation framework to evict unimportant cache entries, based on the stability assumption-that a fixed subset of entries remains consistently important during generation. However, prior work has largely focused on refining importance indicators for scoring, while defaulting to mean aggregation due to a faithful trust in the stability assumption. In this work, we argue that this underlying assumption is inherently fragile, making mean aggregation highly vulnerable in extreme cases. To counter this, we propose a simple yet elegant defensive aggregation strategy: a two-step, linear-time approach that controls worst-case risk, thereby defending against extreme cases with negligible computational overhead. Embodying this strategy, we propose a novel cache eviction method, DefensiveKV and its extension, Layer-DefensiveKV, which incorporates layer-wise budget allocation. Across seven task domains (18 datasets), our methods reduce generation quality loss by 2.3x and 4.3x respectively, versus the strongest baseline under a 20% cache size. These results set new performance benchmarks and pioneer a promising direction for optimizing cache eviction against underlying fragility through worst-case risk management. Our code is available at https://github.com/FFY0/DefensiveKV.

  • 5 authors
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Oct 15, 2025

Coherence Under Commitment: Probing Generalization and Vacuous Memorization in LLM Logical Reasoning

Large language models (LLMs) deployed for logical reasoning in knowledge-intensive domains exhibit a subtle but critical failure: coherence can be vacuously achieved through systematic abstention. A model that withholds commitment to either entailment or refutation satisfies negation consistency while providing no utility. We introduce Coherence Under Commitment (CUC), a dual-query evaluation paradigm that jointly measures consistency and decisiveness. CUC contributes three innovations: (1) a commitment score c(φ) = p(φ) + p(lnotφ) quantifying probability mass allocated to decisive outcomes; (2) a deterministic elicitation protocol via normalized YES/NO log probabilities, eliminating sampling variance; and (3) a 3-way decision framework (True/False/Uncertain) operationalizing the coherence-commitment trade-off into metrics. Experiments on four open-weight LLMs (1B-3B) across 204 FOLIO examples expose a sharp frontier. Qwen2.5-3B achieves near-zero contradiction (E[v_{neg}]{=}0.025) but only 7.4% coverage, while TinyLlama-1.1B reaches 79.4% coverage with violations on every example. Coherence-only evaluation would rank the abstaining model first; CUC exposes this as vacuous, and the frontier generalizes to LogiQA~v2 (ρ{=}0.97). We argue that evaluation must report both coherence and non-vacuous commitment and release a toolkit for standardized assessment.

  • 2 authors
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Jun 18

A Gentle Introduction to Conformal Prediction and Distribution-Free Uncertainty Quantification

Black-box machine learning models are now routinely used in high-risk settings, like medical diagnostics, which demand uncertainty quantification to avoid consequential model failures. Conformal prediction is a user-friendly paradigm for creating statistically rigorous uncertainty sets/intervals for the predictions of such models. Critically, the sets are valid in a distribution-free sense: they possess explicit, non-asymptotic guarantees even without distributional assumptions or model assumptions. One can use conformal prediction with any pre-trained model, such as a neural network, to produce sets that are guaranteed to contain the ground truth with a user-specified probability, such as 90%. It is easy-to-understand, easy-to-use, and general, applying naturally to problems arising in the fields of computer vision, natural language processing, deep reinforcement learning, and so on. This hands-on introduction is aimed to provide the reader a working understanding of conformal prediction and related distribution-free uncertainty quantification techniques with one self-contained document. We lead the reader through practical theory for and examples of conformal prediction and describe its extensions to complex machine learning tasks involving structured outputs, distribution shift, time-series, outliers, models that abstain, and more. Throughout, there are many explanatory illustrations, examples, and code samples in Python. With each code sample comes a Jupyter notebook implementing the method on a real-data example; the notebooks can be accessed and easily run using our codebase.

  • 2 authors
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Dec 6, 2022

VeriGuard: Enhancing LLM Agent Safety via Verified Code Generation

The deployment of autonomous AI agents in sensitive domains, such as healthcare, introduces critical risks to safety, security, and privacy. These agents may deviate from user objectives, violate data handling policies, or be compromised by adversarial attacks. Mitigating these dangers necessitates a mechanism to formally guarantee that an agent's actions adhere to predefined safety constraints, a challenge that existing systems do not fully address. We introduce VeriGuard, a novel framework that provides formal safety guarantees for LLM-based agents through a dual-stage architecture designed for robust and verifiable correctness. The initial offline stage involves a comprehensive validation process. It begins by clarifying user intent to establish precise safety specifications. VeriGuard then synthesizes a behavioral policy and subjects it to both testing and formal verification to prove its compliance with these specifications. This iterative process refines the policy until it is deemed correct. Subsequently, the second stage provides online action monitoring, where VeriGuard operates as a runtime monitor to validate each proposed agent action against the pre-verified policy before execution. This separation of the exhaustive offline validation from the lightweight online monitoring allows formal guarantees to be practically applied, providing a robust safeguard that substantially improves the trustworthiness of LLM agents.

google Google
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Oct 3, 2025 2

Building Safe and Reliable AI systems for Safety Critical Tasks with Vision-Language Processing

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

  • 1 authors
·
Aug 6, 2023

Online Packet Scheduling with Deadlines and Learning

Network routers that enforce Quality-of-Service (QoS) guarantees must decide, at every clock cycle, which expiring packet of information to transmit, even when the value of the packet is unknown until it is processed. We frame this problem as the Online Packet Scheduling with Deadlines (OPSD) problem under Partial Feedback: packets arrive at every clock cycle, with different deadlines, but the weights are only observed after execution. Under a stochastic assumption on the unknown weights, we explore different variants of the OPSD problem with bandit feedback. We establish a connection between our setting and the sleeping bandits problem, and set our learning goal to α-regret minimization. We provide algorithms with provable α-regret guarantees under different spans of slackness, distinguishing systems allowing for randomization and systems that do not. In every scenario, our algorithms achieve an α-regret upper bound of mathcal{O}left(KTright), matching the lower bound for the standard bandit setting. In the practically relevant case of 2-bounded deadline instances, where the deadline is set at most one clock cycle away from the arrival, our deterministic algorithm achieves the provably tightest possible competitive ratio. Remarkably, when the number of distinct packet types Kge 2 is finite, it is possible to break the well-established Φ= 1+sqrt{5}{2} competitive ratio barrier and attain a tighter competitive ratio θ_K ranging in [2, Φ).

  • 3 authors
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May 29

Optimistic Online Mirror Descent for Bridging Stochastic and Adversarial Online Convex Optimization

Stochastically Extended Adversarial (SEA) model is introduced by Sachs et al. [2022] as an interpolation between stochastic and adversarial online convex optimization. Under the smoothness condition, they demonstrate that the expected regret of optimistic follow-the-regularized-leader (FTRL) depends on the cumulative stochastic variance sigma_{1:T}^2 and the cumulative adversarial variation Sigma_{1:T}^2 for convex functions. They also provide a slightly weaker bound based on the maximal stochastic variance sigma_{max}^2 and the maximal adversarial variation Sigma_{max}^2 for strongly convex functions. Inspired by their work, we investigate the theoretical guarantees of optimistic online mirror descent (OMD) for the SEA model. For convex and smooth functions, we obtain the same O(sigma_{1:T^2}+Sigma_{1:T^2}) regret bound, without the convexity requirement of individual functions. For strongly convex and smooth functions, we establish an O(min{log (sigma_{1:T}^2+Sigma_{1:T}^2), (sigma_{max}^2 + Sigma_{max}^2) log T}) bound, better than their O((sigma_{max}^2 + Sigma_{max}^2) log T) bound. For exp-concave and smooth functions, we achieve a new O(dlog(sigma_{1:T}^2+Sigma_{1:T}^2)) bound. Owing to the OMD framework, we can further extend our result to obtain dynamic regret guarantees, which are more favorable in non-stationary online scenarios. The attained results allow us to recover excess risk bounds of the stochastic setting and regret bounds of the adversarial setting, and derive new guarantees for many intermediate scenarios.

  • 4 authors
·
Feb 9, 2023

Optimistic Feasible Search for Closed-Loop Fair Threshold Decision-Making

Closed-loop decision-making systems (e.g., lending, screening, or recidivism risk assessment) often operate under fairness and service constraints while inducing feedback effects: decisions change who appears in the future, yielding non-stationary data and potentially amplifying disparities. We study online learning of a one-dimensional threshold policy from bandit feedback under demographic parity (DP) and, optionally, service-rate constraints. The learner observes only a scalar score each round and selects a threshold; reward and constraint residuals are revealed only for the chosen threshold. We propose Optimistic Feasible Search (OFS), a simple grid-based method that maintains confidence bounds for reward and constraint residuals for each candidate threshold. At each round, OFS selects a threshold that appears feasible under confidence bounds and, among those, maximizes optimistic reward; if no threshold appears feasible, OFS selects the threshold minimizing optimistic constraint violation. This design directly targets feasible high-utility thresholds and is particularly effective for low-dimensional, interpretable policy classes where discretization is natural. We evaluate OFS on (i) a synthetic closed-loop benchmark with stable contraction dynamics and (ii) two semi-synthetic closed-loop benchmarks grounded in German Credit and COMPAS, constructed by training a score model and feeding group-dependent acceptance decisions back into population composition. Across all environments, OFS achieves higher reward with smaller cumulative constraint violation than unconstrained and primal-dual bandit baselines, and is near-oracle relative to the best feasible fixed threshold under the same sweep procedure. Experiments are reproducible and organized with double-blind-friendly relative outputs.

  • 1 authors
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Dec 26, 2025