Daily Papers

Quantified formulas with Uninterpreted Functions (UFs) over non-linear real arithmetic pose fundamental challenges for Satisfiability Modulo Theories (SMT) solving. Traditional quantifier instantiation methods struggle because they lack semantic understanding of UF constraints, forcing them to search through unbounded solution spaces with limited guidance. We present AquaForte, a framework that leverages Large Language Models to provide semantic guidance for UF instantiation by generating instantiated candidates for function definitions that satisfy the constraints, thereby significantly reducing the search space and complexity for solvers. Our approach preprocesses formulas through constraint separation, uses structured prompts to extract mathematical reasoning from LLMs, and integrates the results with traditional SMT algorithms through adaptive instantiation. AquaForte maintains soundness through systematic validation: LLM-guided instantiations yielding SAT solve the original problem, while UNSAT results generate exclusion clauses for iterative refinement. Completeness is preserved by fallback to traditional solvers augmented with learned constraints. Experimental evaluation on SMT-COMP benchmarks demonstrates that AquaForte solves numerous instances where state-of-the-art solvers like Z3 and CVC5 timeout, with particular effectiveness on satisfiable formulas. Our work shows that LLMs can provide valuable mathematical intuition for symbolic reasoning, establishing a new paradigm for SMT constraint solving.

Large vision-language models (VLMs) often benefit from intermediate visual cues, either injected via external tools or generated as latent visual tokens during reasoning, but these mechanisms still overlook fine-grained visual evidence (e.g., polylines in charts), generalize poorly across domains, and incur high inference-time cost. In this paper, we propose Bi-directional Perceptual Shaping (BiPS), which transforms question-conditioned masked views into bidirectional where-to-look signals that shape perception during training. BiPS first applies a KL-consistency constraint between the original image and an evidence-preserving view that keeps only question-relevant regions, encouraging coarse but complete coverage of supporting pixels. It then applies a KL-separation constraint between the original and an evidence-ablated view where critical pixels are masked so the image no longer supports the original answer, discouraging text-only shortcuts (i.e., answering from text alone) and enforcing fine-grained visual reliance. Across eight benchmarks, BiPS boosts Qwen2.5-VL-7B by 8.2% on average and shows strong out-of-domain generalization to unseen datasets and image types.

Universal source separation targets at separating the audio sources of an arbitrary mix, removing the constraint to operate on a specific domain like speech or music. Yet, the potential of universal source separation is limited because most existing works focus on mixes with predominantly sound events, and small training datasets also limit its potential for supervised learning. Here, we study a single general audio source separation (GASS) model trained to separate speech, music, and sound events in a supervised fashion with a large-scale dataset. We assess GASS models on a diverse set of tasks. Our strong in-distribution results show the feasibility of GASS models, and the competitive out-of-distribution performance in sound event and speech separation shows its generalization abilities. Yet, it is challenging for GASS models to generalize for separating out-of-distribution cinematic and music content. We also fine-tune GASS models on each dataset and consistently outperform the ones without pre-training. All fine-tuned models (except the music separation one) obtain state-of-the-art results in their respective benchmarks.

When a language model is fed a wrong answer, what happens inside the network? Current understanding treats truthfulness as a static property of individual-layer representations-a direction to be probed, a feature to be extracted. Less is known about the dynamics: how internal representations diverge across the full depth of the network when the model processes correct versus incorrect continuations. We introduce forced-completion probing, a method that presents identical queries with known correct and incorrect single-token continuations and tracks five geometric measurements across every layer of four decoder-only models(1.5B-13B parameters). We report three findings. First, correct and incorrect paths diverge through rotation, not rescaling: displacement vectors maintain near-identical magnitudes while their angular separation increases, meaning factual selection is encoded in direction on an approximate hypersphere. Second, the model does not passively fail on incorrect input-it actively suppresses the correct answer, driving internal probability away from the right token. Third, both phenomena are entirely absent below a parameter threshold and emerge at 1.6B, suggesting a phase transition in factual processing capability. These results show that factual constraint processing has a specific geometric character-rotational, not scalar; active, not passive-that is invisible to methods based on single-layer probes or magnitude comparisons.

A recurring challenge in self-supervised learning is preventing representation collapse. Existing solutions typically rely on global regularization, such as maximizing distances, decorrelating dimensions or enforcing certain distributions. We instead reinterpret representation learning as a discrete packing problem, where preserving information simplifies to maintaining injectivity. We operationalize this in Hypersolid, a method using short-range hard-ball repulsion to prevent local collisions. This constraint results in a high-separation geometric regime that preserves augmentation diversity, excelling on fine-grained and low-resolution classification tasks.

Future- or return-conditioned supervised learning is an emerging paradigm for offline reinforcement learning (RL), where the future outcome (i.e., return) associated with an observed action sequence is used as input to a policy trained to imitate those same actions. While return-conditioning is at the heart of popular algorithms such as decision transformer (DT), these methods tend to perform poorly in highly stochastic environments, where an occasional high return can arise from randomness in the environment rather than the actions themselves. Such situations can lead to a learned policy that is inconsistent with its conditioning inputs; i.e., using the policy to act in the environment, when conditioning on a specific desired return, leads to a distribution of real returns that is wildly different than desired. In this work, we propose the dichotomy of control (DoC), a future-conditioned supervised learning framework that separates mechanisms within a policy's control (actions) from those beyond a policy's control (environment stochasticity). We achieve this separation by conditioning the policy on a latent variable representation of the future, and designing a mutual information constraint that removes any information from the latent variable associated with randomness in the environment. Theoretically, we show that DoC yields policies that are consistent with their conditioning inputs, ensuring that conditioning a learned policy on a desired high-return future outcome will correctly induce high-return behavior. Empirically, we show that DoC is able to achieve significantly better performance than DT on environments that have highly stochastic rewards and transition

Large language models (LLMs) exhibit degraded performance under prompt compression, but the mechanisms remain poorly understood. We introduce the Compression-Decay Comprehension Test (CDCT), a benchmark that independently measures constraint compliance (CC) and semantic accuracy (SA) across compression levels. We evaluate 9 frontier LLMs across 8 concepts using 5 compression levels from extreme (c=0.0, ~2 words) to none (c=1.0, ~135 words). A three-judge LLM jury achieves almost perfect inter-rater agreement on CC (Fleiss' appa=0.90). We observe a universal U-curve pattern in constraint compliance (97.2% prevalence), with violations peaking at medium compression (c=0.5, ~27 words). Counterintuitively, models perform better at extreme compression than medium lengths. The dimensions are statistically orthogonal (r=0.193, p=0.084), with constraint effects 2.9x larger than semantic effects. Experimental validation via RLHF ablation confirms our constraint salience hypothesis: removing "helpfulness" signals improves CC by 598% on average (71/72 trials, p<0.001), with 79% achieving perfect compliance. This demonstrates that RLHF-trained helpfulness behaviors are the dominant cause of constraint violations at medium compression. Reasoning models outperform efficient models by 27.5% (Cohen's d=0.96). Our findings reveal a fundamental tension between RLHF alignment and instruction-following, providing actionable guidelines for improving deployed systems.

Although recent advances in visual generation have been remarkable, most existing architectures still depend on distinct encoders for images and text. This separation constrains diffusion models' ability to perform cross-modal reasoning and knowledge transfer. Prior attempts to bridge this gap often use the last layer information from VLM, employ multiple visual encoders, or train large unified models jointly for text and image generation, which demands substantial computational resources and large-scale data, limiting its accessibility.We present UniFusion, a diffusion-based generative model conditioned on a frozen large vision-language model (VLM) that serves as a unified multimodal encoder. At the core of UniFusion is the Layerwise Attention Pooling (LAP) mechanism that extracts both high level semantics and low level details from text and visual tokens of a frozen VLM to condition a diffusion generative model. We demonstrate that LAP outperforms other shallow fusion architectures on text-image alignment for generation and faithful transfer of visual information from VLM to the diffusion model which is key for editing. We propose VLM-Enabled Rewriting Injection with Flexibile Inference (VERIFI), which conditions a diffusion transformer (DiT) only on the text tokens generated by the VLM during in-model prompt rewriting. VERIFI combines the alignment of the conditioning distribution with the VLM's reasoning capabilities for increased capabilities and flexibility at inference. In addition, finetuning on editing task not only improves text-image alignment for generation, indicative of cross-modality knowledge transfer, but also exhibits tremendous generalization capabilities. Our model when trained on single image editing, zero-shot generalizes to multiple image references further motivating the unified encoder design of UniFusion.

Adversarial threats against LLMs are escalating faster than current defenses can adapt. We expose a critical geometric blind spot in alignment: adversarial prompts exploit latent camouflage, embedding perilously close to the safe representation manifold while encoding unsafe intent thereby evading surface level defenses like Direct Preference Optimization (DPO), which remain blind to the latent geometry. We introduce ALKALI, the first rigorously curated adversarial benchmark and the most comprehensive to date spanning 9,000 prompts across three macro categories, six subtypes, and fifteen attack families. Evaluation of 21 leading LLMs reveals alarmingly high Attack Success Rates (ASRs) across both open and closed source models, exposing an underlying vulnerability we term latent camouflage, a structural blind spot where adversarial completions mimic the latent geometry of safe ones. To mitigate this vulnerability, we introduce GRACE - Geometric Representation Aware Contrastive Enhancement, an alignment framework coupling preference learning with latent space regularization. GRACE enforces two constraints: latent separation between safe and adversarial completions, and adversarial cohesion among unsafe and jailbreak behaviors. These operate over layerwise pooled embeddings guided by a learned attention profile, reshaping internal geometry without modifying the base model, and achieve up to 39% ASR reduction. Moreover, we introduce AVQI, a geometry aware metric that quantifies latent alignment failure via cluster separation and compactness. AVQI reveals when unsafe completions mimic the geometry of safe ones, offering a principled lens into how models internally encode safety. We make the code publicly available at https://anonymous.4open.science/r/alkali-B416/README.md.

We develop a method for training neural networks on Boolean data in which the values at all nodes are strictly pm 1, and the resulting models are typically equivalent to networks whose nonzero weights are also pm 1. The method replaces loss minimization with a nonconvex constraint formulation. Each node implements a Boolean threshold function (BTF), and training is expressed through a divide-and-concur decomposition into two complementary constraints: one enforces local BTF consistency between inputs, weights, and output; the other imposes architectural concurrence, equating neuron outputs with downstream inputs and enforcing weight equality across training-data instantiations of the network. The reflect-reflect-relax (RRR) projection algorithm is used to reconcile these constraints. Each BTF constraint includes a lower bound on the margin. When this bound is sufficiently large, the learned representations are provably sparse and equivalent to networks composed of simple logical gates with pm 1 weights. Across a range of tasks -- including multiplier-circuit discovery, binary autoencoding, logic-network inference, and cellular automata learning -- the method achieves exact solutions or strong generalization in regimes where standard gradient-based methods struggle. These results demonstrate that projection-based constraint satisfaction provides a viable and conceptually distinct foundation for learning in discrete neural systems, with implications for interpretability and efficient inference.

Multi-constraint planning involves identifying, evaluating, and refining candidate plans while satisfying multiple, potentially conflicting constraints. Existing large language model (LLM) approaches face fundamental limitations in this domain. Pure reasoning paradigms, which rely on long natural language chains, are prone to inconsistency, error accumulation, and prohibitive cost as constraints compound. Conversely, LLMs combined with coding- or solver-based strategies lack flexibility: they often generate problem-specific code from scratch or depend on fixed solvers, failing to capture generalizable logic across diverse problems. To address these challenges, we introduce the Scalable COde Planning Engine (SCOPE), a framework that disentangles query-specific reasoning from generic code execution. By separating reasoning from execution, SCOPE produces solver functions that are consistent, deterministic, and reusable across queries while requiring only minimal changes to input parameters. SCOPE achieves state-of-the-art performance while lowering cost and latency. For example, with GPT-4o, it reaches 93.1% success on TravelPlanner, a 61.6% gain over the best baseline (CoT) while cutting inference cost by 1.4x and time by ~4.67x. Code is available at https://github.com/DerrickGXD/SCOPE.

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.

Regardless of the particular task we want them to perform in an environment, there are often shared safety constraints we want our agents to respect. For example, regardless of whether it is making a sandwich or clearing the table, a kitchen robot should not break a plate. Manually specifying such a constraint can be both time-consuming and error-prone. We show how to learn constraints from expert demonstrations of safe task completion by extending inverse reinforcement learning (IRL) techniques to the space of constraints. Intuitively, we learn constraints that forbid highly rewarding behavior that the expert could have taken but chose not to. Unfortunately, the constraint learning problem is rather ill-posed and typically leads to overly conservative constraints that forbid all behavior that the expert did not take. We counter this by leveraging diverse demonstrations that naturally occur in multi-task settings to learn a tighter set of constraints. We validate our method with simulation experiments on high-dimensional continuous control tasks.

This paper introduces an approach for learning to solve continuous constraint satisfaction problems (CCSP) in robotic reasoning and planning. Previous methods primarily rely on hand-engineering or learning generators for specific constraint types and then rejecting the value assignments when other constraints are violated. By contrast, our model, the compositional diffusion continuous constraint solver (Diffusion-CCSP) derives global solutions to CCSPs by representing them as factor graphs and combining the energies of diffusion models trained to sample for individual constraint types. Diffusion-CCSP exhibits strong generalization to novel combinations of known constraints, and it can be integrated into a task and motion planner to devise long-horizon plans that include actions with both discrete and continuous parameters. Project site: https://diffusion-ccsp.github.io/

Input constraints are useful for many software development tasks. For example, input constraints of a function enable the generation of valid inputs, i.e., inputs that follow these constraints, to test the function deeper. API functions of deep learning (DL) libraries have DL specific input constraints, which are described informally in the free form API documentation. Existing constraint extraction techniques are ineffective for extracting DL specific input constraints. To fill this gap, we design and implement a new technique, DocTer, to analyze API documentation to extract DL specific input constraints for DL API functions. DocTer features a novel algorithm that automatically constructs rules to extract API parameter constraints from syntactic patterns in the form of dependency parse trees of API descriptions. These rules are then applied to a large volume of API documents in popular DL libraries to extract their input parameter constraints. To demonstrate the effectiveness of the extracted constraints, DocTer uses the constraints to enable the automatic generation of valid and invalid inputs to test DL API functions. Our evaluation on three popular DL libraries (TensorFlow, PyTorch, and MXNet) shows that the precision of DocTer in extracting input constraints is 85.4%. DocTer detects 94 bugs from 174 API functions, including one previously unknown security vulnerability that is now documented in the CVE database, while a baseline technique without input constraints detects only 59 bugs. Most (63) of the 94 bugs are previously unknown, 54 of which have been fixed or confirmed by developers after we report them. In addition, DocTer detects 43 inconsistencies in documents, 39 of which are fixed or confirmed.

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

Recent advances in Hierarchical Multi-label Classification (HMC), particularly neurosymbolic-based approaches, have demonstrated improved consistency and accuracy by enforcing constraints on a neural model during training. However, such work assumes the existence of such constraints a-priori. In this paper, we relax this strong assumption and present an approach based on Error Detection Rules (EDR) that allow for learning explainable rules about the failure modes of machine learning models. We show that these rules are not only effective in detecting when a machine learning classifier has made an error but also can be leveraged as constraints for HMC, thereby allowing the recovery of explainable constraints even if they are not provided. We show that our approach is effective in detecting machine learning errors and recovering constraints, is noise tolerant, and can function as a source of knowledge for neurosymbolic models on multiple datasets, including a newly introduced military vehicle recognition dataset.

In critical applications, it is vital for classifiers to defer decision-making to humans. We propose a post-hoc method that makes existing classifiers selectively abstain from predicting certain samples. Our abstaining classifier is incentivized to maintain the original accuracy for each sub-population (i.e. no harm) while achieving a set of group fairness definitions to a user specified degree. To this end, we design an Integer Programming (IP) procedure that assigns abstention decisions for each training sample to satisfy a set of constraints. To generalize the abstaining decisions to test samples, we then train a surrogate model to learn the abstaining decisions based on the IP solutions in an end-to-end manner. We analyze the feasibility of the IP procedure to determine the possible abstention rate for different levels of unfairness tolerance and accuracy constraint for achieving no harm. To the best of our knowledge, this work is the first to identify the theoretical relationships between the constraint parameters and the required abstention rate. Our theoretical results are important since a high abstention rate is often infeasible in practice due to a lack of human resources. Our framework outperforms existing methods in terms of fairness disparity without sacrificing accuracy at similar abstention rates.

It is crucial for large language models (LLMs) to follow instructions that involve multiple constraints. However, it is an unexplored area to enhance LLMs' ability to follow soft constraints. To bridge the gap, we initially design a pipeline to construct datasets with high-quality outputs automatically. Additionally, to fully utilize the positive and negative samples generated during the data construction process, we choose Direct Preference Optimization (DPO) as the training method. Furthermore, taking into account the difficulty of soft constraints indicated by the number of constraints, we design a curriculum learning training paradigm based on the constraint quantity. We experimentally evaluate the effectiveness of our methods in improving LLMs' soft constraint following ability and analyze the factors driving the improvements.The datasets and code are publicly available at https://github.com/Rainier-rq/FollowSoftConstraint.

Seven years ago, researchers proposed a postprocessing method to equalize the error rates of a model across different demographic groups. The work launched hundreds of papers purporting to improve over the postprocessing baseline. We empirically evaluate these claims through thousands of model evaluations on several tabular datasets. We find that the fairness-accuracy Pareto frontier achieved by postprocessing contains all other methods we were feasibly able to evaluate. In doing so, we address two common methodological errors that have confounded previous observations. One relates to the comparison of methods with different unconstrained base models. The other concerns methods achieving different levels of constraint relaxation. At the heart of our study is a simple idea we call unprocessing that roughly corresponds to the inverse of postprocessing. Unprocessing allows for a direct comparison of methods using different underlying models and levels of relaxation.

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

Large Language Models (LLMs) suffer from reliability issues on complex tasks, as existing decomposition methods are heuristic and rely on agent or manual decomposition. This work introduces a novel, systematic decomposition framework that we call Analysis of CONstraint-Induced Complexity (ACONIC), which models the task as a constraint problem and leveraging formal complexity measures to guide decomposition. On combinatorial (SATBench) and LLM database querying tasks (Spider), we find that by decomposing the tasks following the measure of complexity, agent can perform considerably better (10-40 percentage point).

Instruction following evaluates large language models (LLMs) on their ability to generate outputs that adhere to user-defined constraints. However, existing benchmarks often rely on templated constraint prompts, which lack the diversity of real-world usage and limit fine-grained performance assessment. To fill this gap, we propose a multi-dimensional constraint framework encompassing three constraint patterns, four constraint categories, and four difficulty levels. Building on this framework, we develop an automated instruction generation pipeline that performs constraint expansion, conflict detection, and instruction rewriting, yielding 1,200 code-verifiable instruction-following test samples. We evaluate 19 LLMs across seven model families and uncover substantial variation in performance across constraint forms. For instance, average performance drops from 77.67% at Level I to 32.96% at Level IV. Furthermore, we demonstrate the utility of our approach by using it to generate data for reinforcement learning, achieving substantial gains in instruction following without degrading general performance. In-depth analysis indicates that these gains stem primarily from modifications in the model's attention modules parameters, which enhance constraint recognition and adherence. Code and data are available in https://github.com/Junjie-Ye/MulDimIF.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

State-of-the-art neural network (NN) verifiers demonstrate that applying the branch-and-bound (BaB) procedure with fast bounding techniques plays a key role in tackling many challenging verification properties. In this work, we introduce the linear constraint-driven clipping framework, a class of scalable and efficient methods designed to enhance the efficacy of NN verifiers. Under this framework, we develop two novel algorithms that efficiently utilize linear constraints to 1) reduce portions of the input space that are either verified or irrelevant to a subproblem in the context of branch-and-bound, and 2) directly improve intermediate bounds throughout the network. The process novelly leverages linear constraints that often arise from bound propagation methods and is general enough to also incorporate constraints from other sources. It efficiently handles linear constraints using a specialized GPU procedure that can scale to large neural networks without the use of expensive external solvers. Our verification procedure, Clip-and-Verify, consistently tightens bounds across multiple benchmarks and can significantly reduce the number of subproblems handled during BaB. We show that our clipping algorithms can be integrated with BaB-based verifiers such as α,β-CROWN, utilizing either the split constraints in activation-space BaB or the output constraints that denote the unverified input space. We demonstrate the effectiveness of our procedure on a broad range of benchmarks where, in some instances, we witness a 96% reduction in the number of subproblems during branch-and-bound, and also achieve state-of-the-art verified accuracy across multiple benchmarks. Clip-and-Verify is part of the α,β-CROWN verifier (http://abcrown.org), the VNN-COMP 2025 winner. Code available at https://github.com/Verified-Intelligence/Clip_and_Verify.

Deep Generative Models (DGMs) have been shown to be powerful tools for generating tabular data, as they have been increasingly able to capture the complex distributions that characterize them. However, to generate realistic synthetic data, it is often not enough to have a good approximation of their distribution, as it also requires compliance with constraints that encode essential background knowledge on the problem at hand. In this paper, we address this limitation and show how DGMs for tabular data can be transformed into Constrained Deep Generative Models (C-DGMs), whose generated samples are guaranteed to be compliant with the given constraints. This is achieved by automatically parsing the constraints and transforming them into a Constraint Layer (CL) seamlessly integrated with the DGM. Our extensive experimental analysis with various DGMs and tasks reveals that standard DGMs often violate constraints, some exceeding 95% non-compliance, while their corresponding C-DGMs are never non-compliant. Then, we quantitatively demonstrate that, at training time, C-DGMs are able to exploit the background knowledge expressed by the constraints to outperform their standard counterparts with up to 6.5% improvement in utility and detection. Further, we show how our CL does not necessarily need to be integrated at training time, as it can be also used as a guardrail at inference time, still producing some improvements in the overall performance of the models. Finally, we show that our CL does not hinder the sample generation time of the models.

The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.

We propose a theoretical framework demonstrating that popular Large Language Model (LLM) alignment methods, including Reinforcement Learning from Human Feedback (RLHF) and alternatives, fundamentally function as divergence estimators between aligned (preferred or safe) and unaligned (less-preferred or harmful) distributions. This explains the separation phenomenon between safe and harmful prompts in the model hidden representation after alignment. Inspired by the theoretical results, we identify that some alignment methods are better than others in terms of separation and, introduce a new method, KLDO, and further demonstrate the implication of our theories. We advocate for compliance-refusal datasets over preference datasets to enhance safety alignment, supported by both theoretical reasoning and empirical evidence. Additionally, to quantify safety separation, we leverage a distance metric in the representation space and statistically validate its efficacy as a statistical significant indicator of LLM resilience against jailbreak attacks.

The deployment and training of neural networks on edge computing devices pose many challenges. The low memory nature of edge devices is often one of the biggest limiting factors encountered in the deployment of large neural network models. Tensor rematerialization or recompute is a way to address high memory requirements for neural network training and inference. In this paper we consider the problem of execution time minimization of compute graphs subject to a memory budget. In particular, we develop a new constraint programming formulation called Moccasin with only O(n) integer variables, where n is the number of nodes in the compute graph. This is a significant improvement over the works in the recent literature that propose formulations with O(n^2) Boolean variables. We present numerical studies that show that our approach is up to an order of magnitude faster than recent work especially for large-scale graphs.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

This paper proposes a novel column generation framework for combinatorial software testing. In particular, it combines Mathematical Programming and Constraint Programming in a hybrid decomposition to generate covering arrays. The approach allows generating parameterized test cases with coverage guarantees between parameter interactions of a given application. Compared to exhaustive testing, combinatorial test case generation reduces the number of tests to run significantly. Our column generation algorithm is generic and can accommodate mixed coverage arrays over heterogeneous alphabets. The algorithm is realized in practice as a cloud service and recognized as one of the five winners of the company-wide cloud application challenge at Oracle. The service is currently helping software developers from a range of different product teams in their testing efforts while exposing declarative constraint models and hybrid optimization techniques to a broader audience.

Generative Adversarial Networks (GANs) struggle to generate structured objects like molecules and game maps. The issue is that structured objects must satisfy hard requirements (e.g., molecules must be chemically valid) that are difficult to acquire from examples alone. As a remedy, we propose Constrained Adversarial Networks (CANs), an extension of GANs in which the constraints are embedded into the model during training. This is achieved by penalizing the generator proportionally to the mass it allocates to invalid structures. In contrast to other generative models, CANs support efficient inference of valid structures (with high probability) and allows to turn on and off the learned constraints at inference time. CANs handle arbitrary logical constraints and leverage knowledge compilation techniques to efficiently evaluate the disagreement between the model and the constraints. Our setup is further extended to hybrid logical-neural constraints for capturing very complex constraints, like graph reachability. An extensive empirical analysis shows that CANs efficiently generate valid structures that are both high-quality and novel.

Deep Reinforcement Learning (RL) has demonstrated impressive results in solving complex robotic tasks such as quadruped locomotion. Yet, current solvers fail to produce efficient policies respecting hard constraints. In this work, we advocate for integrating constraints into robot learning and present Constraints as Terminations (CaT), a novel constrained RL algorithm. Departing from classical constrained RL formulations, we reformulate constraints through stochastic terminations during policy learning: any violation of a constraint triggers a probability of terminating potential future rewards the RL agent could attain. We propose an algorithmic approach to this formulation, by minimally modifying widely used off-the-shelf RL algorithms in robot learning (such as Proximal Policy Optimization). Our approach leads to excellent constraint adherence without introducing undue complexity and computational overhead, thus mitigating barriers to broader adoption. Through empirical evaluation on the real quadruped robot Solo crossing challenging obstacles, we demonstrate that CaT provides a compelling solution for incorporating constraints into RL frameworks. Videos and code are available at https://constraints-as-terminations.github.io.

Large language models can produce creative and diverse responses. However, to integrate them into current developer workflows, it is essential to constrain their outputs to follow specific formats or standards. In this work, we surveyed 51 experienced industry professionals to understand the range of scenarios and motivations driving the need for output constraints from a user-centered perspective. We identified 134 concrete use cases for constraints at two levels: low-level, which ensures the output adhere to a structured format and an appropriate length, and high-level, which requires the output to follow semantic and stylistic guidelines without hallucination. Critically, applying output constraints could not only streamline the currently repetitive process of developing, testing, and integrating LLM prompts for developers, but also enhance the user experience of LLM-powered features and applications. We conclude with a discussion on user preferences and needs towards articulating intended constraints for LLMs, alongside an initial design for a constraint prototyping tool.

Numerous real-world decision-making problems can be formulated and solved using Mixed-Integer Linear Programming (MILP) models. However, the transformation of these problems into MILP models heavily relies on expertise in operations research and mathematical optimization, which restricts non-experts' accessibility to MILP. To address this challenge, we propose a framework for automatically formulating MILP models from unstructured natural language descriptions of decision problems, which integrates Large Language Models (LLMs) and mathematical modeling techniques. This framework consists of three phases: i) identification of decision variables, ii) classification of objective and constraints, and iii) finally, generation of MILP models. In this study, we present a constraint classification scheme and a set of constraint templates that can guide the LLMs in synthesizing a complete MILP model. After fine-tuning LLMs, our approach can identify and synthesize logic constraints in addition to classic demand and resource constraints. The logic constraints have not been studied in existing work. To evaluate the performance of the proposed framework, we extend the NL4Opt dataset with more problem descriptions and constraint types, and with the new dataset, we compare our framework with one-step model generation methods offered by LLMs. The experimental results reveal that with respect to the accuracies of generating the correct model, objective, and constraints, our method which integrates constraint classification and templates with LLMs significantly outperforms the others. The prototype system that we developed has a great potential to capture more constraints for more complex MILPs. It opens up opportunities for developing training tools for operations research practitioners and has the potential to be a powerful tool for automatic decision problem modeling and solving in practice.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

Projection maintenance is one of the core data structure tasks. Efficient data structures for projection maintenance have led to recent breakthroughs in many convex programming algorithms. In this work, we further extend this framework to the Kronecker product structure. Given a constraint matrix {sf A} and a positive semi-definite matrix Win R^{ntimes n} with a sparse eigenbasis, we consider the task of maintaining the projection in the form of {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}, where {sf B}={sf A}(Wotimes I) or {sf B}={sf A}(W^{1/2}otimes W^{1/2}). At each iteration, the weight matrix W receives a low rank change and we receive a new vector h. The goal is to maintain the projection matrix and answer the query {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}h with good approximation guarantees. We design a fast dynamic data structure for this task and it is robust against an adaptive adversary. Following the beautiful and pioneering work of [Beimel, Kaplan, Mansour, Nissim, Saranurak and Stemmer, STOC'22], we use tools from differential privacy to reduce the randomness required by the data structure and further improve the running time.

While transformers achieve strong performance, their internal decision-making processes remain opaque. We investigate whether architectural constraints can enforce interpretability by design through architectural stream independence: maintaining a token stream (carrying symbolic structure) and contextual semantics in separated streams that remain independently observable throughout processing, with integration delayed until output. We validate this principle through the Late Fusion Architecture (LFA), which demonstrates interpretable symbolic heads through all the final layers, while standard transformers show dissolution by the third of six layers; we quantify this effect by introducing the Token-Position Dependence Score (PDS), with PDS_{max} = 0.276 and 0.058, respectively. Crucially, intervention experiments demonstrate functional modularity: suppressing LFA's recency heads causes minimal semantic damage (Cohen's d = -0.158) versus catastrophic entanglement in baselines (d = -0.672). LFA demonstrates that architectural constraints improve underlying learning mechanisms, averaging 42% stability versus 19% and 11% for baseline comparisons, with extremes from 50% on LFA's best pairs (6 of 12 heads position-invariant) down to 0% complete collapse in over-constrained cases. By preventing premature entanglement, architectural independence steers models toward semantic understanding over positional heuristics, establishing interpretability as an architectural design criterion enforceable through structural constraints rather than post-hoc analysis.

Real-world instructions with multiple constraints pose a significant challenge to existing large language models (LLMs). An observation is that the LLMs exhibit dramatic performance fluctuation when disturbing the order of the incorporated constraints. Yet, none of the existing works has systematically investigated this position bias problem in the field of multi-constraint instruction following. To bridge this gap, we design a probing task where we quantitatively measure the difficulty distribution of the constraints by a novel Difficulty Distribution Index (CDDI). Through the experimental results, we find that LLMs are more performant when presented with the constraints in a ``hard-to-easy'' order. This preference can be generalized to LLMs with different architecture or different sizes of parameters. Additionally, we conduct an explanation study, providing an intuitive insight into the correlation between the LLM's attention and constraint orders. Our code and dataset are publicly available at https://github.com/meowpass/PBIF.

The ability to follow instructions is crucial for Large Language Models (LLMs) to handle various real-world applications. Existing benchmarks primarily focus on evaluating pure response quality, rather than assessing whether the response follows constraints stated in the instruction. To fill this research gap, in this paper, we propose FollowBench, a Multi-level Fine-grained Constraints Following Benchmark for LLMs. FollowBench comprehensively includes five different types (i.e., Content, Situation, Style, Format, and Example) of fine-grained constraints. To enable a precise constraint following estimation on diverse difficulties, we introduce a Multi-level mechanism that incrementally adds a single constraint to the initial instruction at each increased level. To assess whether LLMs' outputs have satisfied every individual constraint, we propose to prompt strong LLMs with constraint-evolution paths to handle challenging open-ended instructions. By evaluating ten closed-source and open-source popular LLMs on FollowBench, we highlight the weaknesses of LLMs in instruction following and point towards potential avenues for future work. The data and code are publicly available at https://github.com/YJiangcm/FollowBench.

We introduce a pattern mining framework that operates on semi-structured datasets and exploits the dichotomy between outcomes. Our approach takes advantage of constraint reasoning to find sequential patterns that occur frequently and exhibit desired properties. This allows the creation of novel pattern embeddings that are useful for knowledge extraction and predictive modeling. Finally, we present an application on customer intent prediction from digital clickstream data. Overall, we show that pattern embeddings play an integrator role between semi-structured data and machine learning models, improve the performance of the downstream task and retain interpretability.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

The field of texture synthesis has witnessed important progresses over the last years, most notably through the use of Convolutional Neural Networks. However, neural synthesis methods still struggle to reproduce large scale structures, especially with high resolution textures. To address this issue, we first introduce a simple multi-resolution framework that efficiently accounts for long-range dependency. Then, we show that additional statistical constraints further improve the reproduction of textures with strong regularity. This can be achieved by constraining both the Gram matrices of a neural network and the power spectrum of the image. Alternatively one may constrain only the autocorrelation of the features of the network and drop the Gram matrices constraints. In an experimental part, the proposed methods are then extensively tested and compared to alternative approaches, both in an unsupervised way and through a user study. Experiments show the interest of the multi-scale scheme for high resolution textures and the interest of combining it with additional constraints for regular textures.

Recently, cutting-plane methods such as GCP-CROWN have been explored to enhance neural network verifiers and made significant advances. However, GCP-CROWN currently relies on generic cutting planes (cuts) generated from external mixed integer programming (MIP) solvers. Due to the poor scalability of MIP solvers, large neural networks cannot benefit from these cutting planes. In this paper, we exploit the structure of the neural network verification problem to generate efficient and scalable cutting planes specific for this problem setting. We propose a novel approach, Branch-and-bound Inferred Cuts with COnstraint Strengthening (BICCOS), which leverages the logical relationships of neurons within verified subproblems in the branch-and-bound search tree, and we introduce cuts that preclude these relationships in other subproblems. We develop a mechanism that assigns influence scores to neurons in each path to allow the strengthening of these cuts. Furthermore, we design a multi-tree search technique to identify more cuts, effectively narrowing the search space and accelerating the BaB algorithm. Our results demonstrate that BICCOS can generate hundreds of useful cuts during the branch-and-bound process and consistently increase the number of verifiable instances compared to other state-of-the-art neural network verifiers on a wide range of benchmarks, including large networks that previous cutting plane methods could not scale to. BICCOS is part of the α,β-CROWN verifier, the VNN-COMP 2024 winner. The code is available at http://github.com/Lemutisme/BICCOS .

Understanding generalization in deep neural networks is an active area of research. A promising avenue of exploration has been that of margin measurements: the shortest distance to the decision boundary for a given sample or its representation internal to the network. While margins have been shown to be correlated with the generalization ability of a model when measured at its hidden representations (hidden margins), no such link between large margins and generalization has been established for input margins. We show that while input margins are not generally predictive of generalization, they can be if the search space is appropriately constrained. We develop such a measure based on input margins, which we refer to as `constrained margins'. The predictive power of this new measure is demonstrated on the 'Predicting Generalization in Deep Learning' (PGDL) dataset and contrasted with hidden representation margins. We find that constrained margins achieve highly competitive scores and outperform other margin measurements in general. This provides a novel insight on the relationship between generalization and classification margins, and highlights the importance of considering the data manifold for investigations of generalization in DNNs.

It is common in graphic design humans visually arrange various elements according to their design intent and semantics. For example, a title text almost always appears on top of other elements in a document. In this work, we generate graphic layouts that can flexibly incorporate such design semantics, either specified implicitly or explicitly by a user. We optimize using the latent space of an off-the-shelf layout generation model, allowing our approach to be complementary to and used with existing layout generation models. Our approach builds on a generative layout model based on a Transformer architecture, and formulates the layout generation as a constrained optimization problem where design constraints are used for element alignment, overlap avoidance, or any other user-specified relationship. We show in the experiments that our approach is capable of generating realistic layouts in both constrained and unconstrained generation tasks with a single model. The code is available at https://github.com/ktrk115/const_layout .

A range of quantum algorithms, especially those leveraging variational parameterization and circuit-based optimization, are being studied as alternatives for solving classically intractable combinatorial optimization problems (COPs). However, their applicability is limited by hardware constraints, including shallow circuit depth, limited qubit counts, and noise. To mitigate these issues, we propose a hybrid classical--quantum framework based on graph shrinking to reduce the number of variables and constraints in QUBO formulations of COPs, while preserving problem structure. Our approach introduces three key ideas: (i) constraint-aware shrinking that prevents merges that will likely violate problem-specific feasibility constraints, (ii) a verification-and-repair pipeline to correct infeasible solutions post-optimization, and (iii) adaptive strategies for recalculating correlations and controlling the graph shrinking process. We apply our approach to three standard benchmark problems: Multidimensional Knapsack (MDKP), Maximum Independent Set (MIS), and the Quadratic Assignment Problem (QAP). Empirical results show that our approach improves solution feasibility, reduces repair complexity, and enhances quantum optimization quality on hardware-limited instances. These findings demonstrate a scalable pathway for applying near-term quantum algorithms to classically challenging constrained optimization problems.

We introduce a novel approach to large language model (LLM) distillation by formulating it as a constrained reinforcement learning problem. While recent work has begun exploring the integration of task-specific rewards into distillation processes, existing methods typically rely on ad-hoc reward weighting. We propose a principled optimization framework that maximizes task-specific rewards while constraining the divergence from the teacher model to remain below a specified threshold. Our approach adapts constrained state augmented reinforcement learning to the distillation setting, introducing a modified reward function that maintains theoretical guarantees of constraint satisfaction without requiring state augmentation or teacher model access during deployment and without the computational overhead of the dual Lagrangian methods. Through extensive experiments on mathematical reasoning tasks, we demonstrate that our method achieves better constraint satisfaction rates and better reasoning compared to the soft Lagrangian relaxation baselines while maintaining competitive task performance. Our framework provides a theoretically grounded and practically efficient solution for reward-aware distillation in resource-constrained settings.

Wider adoption of neural networks in many critical domains such as finance and healthcare is being hindered by the need to explain their predictions and to impose additional constraints on them. Monotonicity constraint is one of the most requested properties in real-world scenarios and is the focus of this paper. One of the oldest ways to construct a monotonic fully connected neural network is to constrain signs on its weights. Unfortunately, this construction does not work with popular non-saturated activation functions as it can only approximate convex functions. We show this shortcoming can be fixed by constructing two additional activation functions from a typical unsaturated monotonic activation function and employing each of them on the part of neurons. Our experiments show this approach of building monotonic neural networks has better accuracy when compared to other state-of-the-art methods, while being the simplest one in the sense of having the least number of parameters, and not requiring any modifications to the learning procedure or post-learning steps. Finally, we prove it can approximate any continuous monotone function on a compact subset of R^n.

We consider the problem of constructing small coresets for k-Median in Euclidean spaces. Given a large set of data points Psubset R^d, a coreset is a much smaller set Ssubset R^d, so that the k-Median costs of any k centers w.r.t. P and S are close. Existing literature mainly focuses on the high-dimension case and there has been great success in obtaining dimension-independent bounds, whereas the case for small d is largely unexplored. Considering many applications of Euclidean clustering algorithms are in small dimensions and the lack of systematic studies in the current literature, this paper investigates coresets for k-Median in small dimensions. For small d, a natural question is whether existing near-optimal dimension-independent bounds can be significantly improved. We provide affirmative answers to this question for a range of parameters. Moreover, new lower bound results are also proved, which are the highest for small d. In particular, we completely settle the coreset size bound for 1-d k-Median (up to log factors). Interestingly, our results imply a strong separation between 1-d 1-Median and 1-d 2-Median. As far as we know, this is the first such separation between k=1 and k=2 in any dimension.

Recent progress in o1-like models has significantly enhanced the reasoning abilities of Large Language Models (LLMs), empowering them to tackle increasingly complex tasks through reflection capabilities, such as making assumptions, backtracking, and self-refinement. However, effectively evaluating such reflection capabilities remains challenging due to the lack of appropriate benchmarks. To bridge this gap, we introduce LR^2Bench, a novel benchmark designed to evaluate the Long-chain Reflective Reasoning capabilities of LLMs. LR^2Bench comprises 850 samples across six Constraint Satisfaction Problems (CSPs) where reflective reasoning is crucial for deriving solutions that meet all given constraints. Each type of task focuses on distinct constraint patterns, such as knowledge-based, logical, and spatial constraints, providing a comprehensive evaluation of diverse problem-solving scenarios. We conduct extensive evaluation on both conventional models and o1-like models. Our experimental results reveal that even the most advanced reasoning-specific models, such as DeepSeek-R1 and OpenAI o1-preview, struggle with tasks in LR^2Bench, achieving an average Exact Match score of only 20.0% and 23.6%, respectively. These findings underscore the significant room for improvement in the reflective reasoning capabilities of current LLMs. The leaderboard of our benchmark is available at https://huggingface.co/spaces/UltraRonin/LR2Bench

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master.

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum solvers. In this work, we investigate a suite of Lagrangian-based optimization techniques including dual ascent, bundle methods, cutting plane approaches, and augmented Lagrangian formulations for solving constrained combinatorial problems on quantum simulators and hardware. Our framework is applied to three representative NP-hard problems: the Travelling Salesman Problem (TSP), the Multi-Dimensional Knapsack Problem (MDKP), and the Maximum Independent Set (MIS). We demonstrate that MDKP and TSP, with their inequality-based or degree-constrained structures, allow for slack-free reformulations, leading to significant qubit savings without compromising performance. In contrast, MIS does not inherently benefit from slack elimination but still gains in feasibility and objective quality from principled Lagrangian updates. We benchmark these methods across classically hard instances, analyzing trade-offs in qubit usage, feasibility, and optimality gaps. Our results highlight the flexibility of Lagrangian formulations as a scalable alternative to naive QUBO penalization, even when qubit savings are not always achievable. This work provides practical insights for deploying constraint-aware quantum optimization pipelines, with applications in logistics, network design, and resource allocation.

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

Representing robotic manipulation tasks as constraints that associate the robot and the environment is a promising way to encode desired robot behaviors. However, it remains unclear how to formulate the constraints such that they are 1) versatile to diverse tasks, 2) free of manual labeling, and 3) optimizable by off-the-shelf solvers to produce robot actions in real-time. In this work, we introduce Relational Keypoint Constraints (ReKep), a visually-grounded representation for constraints in robotic manipulation. Specifically, ReKep is expressed as Python functions mapping a set of 3D keypoints in the environment to a numerical cost. We demonstrate that by representing a manipulation task as a sequence of Relational Keypoint Constraints, we can employ a hierarchical optimization procedure to solve for robot actions (represented by a sequence of end-effector poses in SE(3)) with a perception-action loop at a real-time frequency. Furthermore, in order to circumvent the need for manual specification of ReKep for each new task, we devise an automated procedure that leverages large vision models and vision-language models to produce ReKep from free-form language instructions and RGB-D observations. We present system implementations on a wheeled single-arm platform and a stationary dual-arm platform that can perform a large variety of manipulation tasks, featuring multi-stage, in-the-wild, bimanual, and reactive behaviors, all without task-specific data or environment models. Website at https://rekep-robot.github.io/.

It is imperative for Large language models (LLMs) to follow instructions with elaborate requirements (i.e. Complex Instructions Following). Yet, it remains under-explored how to enhance the ability of LLMs to follow complex instructions with multiple constraints. To bridge the gap, we initially study what training data is effective in enhancing complex constraints following abilities. We found that training LLMs with instructions containing multiple constraints enhances their understanding of complex instructions, especially those with lower complexity levels. The improvement can even generalize to compositions of out-of-domain constraints. Additionally, we further propose methods addressing how to obtain and utilize the effective training data. Finally, we conduct extensive experiments to prove the effectiveness of our methods in terms of overall performance and training efficiency. We also demonstrate that our methods improve models' ability to follow instructions generally and generalize effectively across out-of-domain, in-domain, and adversarial settings, while maintaining general capabilities.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

We propose a constraint learning schema for fine-tuning Large Language Models (LLMs) with attribute control. Given a training corpus and control criteria formulated as a sequence-level constraint on model outputs, our method fine-tunes the LLM on the training corpus while enhancing constraint satisfaction with minimal impact on its utility and generation quality. Specifically, our approach regularizes the LLM training by penalizing the KL divergence between the desired output distribution, which satisfies the constraints, and the LLM's posterior. This regularization term can be approximated by an auxiliary model trained to decompose the sequence-level constraints into token-level guidance, allowing the term to be measured by a closed-form formulation. To further improve efficiency, we design a parallel scheme for concurrently updating both the LLM and the auxiliary model. We evaluate the empirical performance of our approach by controlling the toxicity when training an LLM. We show that our approach leads to an LLM that produces fewer inappropriate responses while achieving competitive performance on benchmarks and a toxicity detection task.

Recent text-to-image diffusion models have demonstrated an astonishing capacity to generate high-quality images. However, researchers mainly studied the way of synthesizing images with only text prompts. While some works have explored using other modalities as conditions, considerable paired data, e.g., box/mask-image pairs, and fine-tuning time are required for nurturing models. As such paired data is time-consuming and labor-intensive to acquire and restricted to a closed set, this potentially becomes the bottleneck for applications in an open world. This paper focuses on the simplest form of user-provided conditions, e.g., box or scribble. To mitigate the aforementioned problem, we propose a training-free method to control objects and contexts in the synthesized images adhering to the given spatial conditions. Specifically, three spatial constraints, i.e., Inner-Box, Outer-Box, and Corner Constraints, are designed and seamlessly integrated into the denoising step of diffusion models, requiring no additional training and massive annotated layout data. Extensive results show that the proposed constraints can control what and where to present in the images while retaining the ability of the Stable Diffusion model to synthesize with high fidelity and diverse concept coverage. The code is publicly available at https://github.com/Sierkinhane/BoxDiff.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

The end-to-end nature of neural machine translation (NMT) removes many ways of manually guiding the translation process that were available in older paradigms. Recent work, however, has introduced a new capability: lexically constrained or guided decoding, a modification to beam search that forces the inclusion of pre-specified words and phrases in the output. However, while theoretically sound, existing approaches have computational complexities that are either linear (Hokamp and Liu, 2017) or exponential (Anderson et al., 2017) in the number of constraints. We present a algorithm for lexically constrained decoding with a complexity of O(1) in the number of constraints. We demonstrate the algorithms remarkable ability to properly place these constraints, and use it to explore the shaky relationship between model and BLEU scores. Our implementation is available as part of Sockeye.

Recent research has revealed that high compression of Deep Neural Networks (DNNs), e.g., massive pruning of the weight matrix of a DNN, leads to a severe drop in accuracy and susceptibility to adversarial attacks. Integration of network pruning into an adversarial training framework has been proposed to promote adversarial robustness. It has been observed that a highly pruned weight matrix tends to be ill-conditioned, i.e., increasing the condition number of the weight matrix. This phenomenon aggravates the vulnerability of a DNN to input noise. Although a highly pruned weight matrix is considered to be able to lower the upper bound of the local Lipschitz constant to tolerate large distortion, the ill-conditionedness of such a weight matrix results in a non-robust DNN model. To overcome this challenge, this work develops novel joint constraints to adjust the weight distribution of networks, namely, the Transformed Sparse Constraint joint with Condition Number Constraint (TSCNC), which copes with smoothing distribution and differentiable constraint functions to reduce condition number and thus avoid the ill-conditionedness of weight matrices. Furthermore, our theoretical analyses unveil the relevance between the condition number and the local Lipschitz constant of the weight matrix, namely, the sharply increasing condition number becomes the dominant factor that restricts the robustness of over-sparsified models. Extensive experiments are conducted on several public datasets, and the results show that the proposed constraints significantly improve the robustness of a DNN with high pruning rates.

Recent LLMs have shown remarkable success in following user instructions, yet handling instructions with multiple constraints remains a significant challenge. In this work, we introduce WildIFEval - a large-scale dataset of 12K real user instructions with diverse, multi-constraint conditions. Unlike prior datasets, our collection spans a broad lexical and topical spectrum of constraints, in natural user prompts. We categorize these constraints into eight high-level classes to capture their distribution and dynamics in real-world scenarios. Leveraging WildIFEval, we conduct extensive experiments to benchmark the instruction-following capabilities of leading LLMs. Our findings reveal that all evaluated models experience performance degradation with an increasing number of constraints. Thus, we show that all models have a large room for improvement on such tasks. Moreover, we observe that the specific type of constraint plays a critical role in model performance. We release our dataset to promote further research on instruction-following under complex, realistic conditions.

Diffusion models have demonstrated impressive abilities in generating photo-realistic and creative images. To offer more controllability for the generation process, existing studies, termed as early-constraint methods in this paper, leverage extra conditions and incorporate them into pre-trained diffusion models. Particularly, some of them adopt condition-specific modules to handle conditions separately, where they struggle to generalize across other conditions. Although follow-up studies present unified solutions to solve the generalization problem, they also require extra resources to implement, e.g., additional inputs or parameter optimization, where more flexible and efficient solutions are expected to perform steerable guided image synthesis. In this paper, we present an alternative paradigm, namely Late-Constraint Diffusion (LaCon), to simultaneously integrate various conditions into pre-trained diffusion models. Specifically, LaCon establishes an alignment between the external condition and the internal features of diffusion models, and utilizes the alignment to incorporate the target condition, guiding the sampling process to produce tailored results. Experimental results on COCO dataset illustrate the effectiveness and superior generalization capability of LaCon under various conditions and settings. Ablation studies investigate the functionalities of different components in LaCon, and illustrate its great potential to serve as an efficient solution to offer flexible controllability for diffusion models.

We make two contributions in the field of AI fairness over continuous protected attributes. First, we show that the Hirschfeld-Gebelein-Renyi (HGR) indicator (the only one currently available for such a case) is valuable but subject to a few crucial limitations regarding semantics, interpretability, and robustness. Second, we introduce a family of indicators that are: 1) complementary to HGR in terms of semantics; 2) fully interpretable and transparent; 3) robust over finite samples; 4) configurable to suit specific applications. Our approach also allows us to define fine-grained constraints to permit certain types of dependence and forbid others selectively. By expanding the available options for continuous protected attributes, our approach represents a significant contribution to the area of fair artificial intelligence.

We consider the problem of learning the best possible policy from a fixed dataset, known as offline Reinforcement Learning (RL). A common taxonomy of existing offline RL works is policy regularization, which typically constrains the learned policy by distribution or support of the behavior policy. However, distribution and support constraints are overly conservative since they both force the policy to choose similar actions as the behavior policy when considering particular states. It will limit the learned policy's performance, especially when the behavior policy is sub-optimal. In this paper, we find that regularizing the policy towards the nearest state-action pair can be more effective and thus propose Policy Regularization with Dataset Constraint (PRDC). When updating the policy in a given state, PRDC searches the entire dataset for the nearest state-action sample and then restricts the policy with the action of this sample. Unlike previous works, PRDC can guide the policy with proper behaviors from the dataset, allowing it to choose actions that do not appear in the dataset along with the given state. It is a softer constraint but still keeps enough conservatism from out-of-distribution actions. Empirical evidence and theoretical analysis show that PRDC can alleviate offline RL's fundamentally challenging value overestimation issue with a bounded performance gap. Moreover, on a set of locomotion and navigation tasks, PRDC achieves state-of-the-art performance compared with existing methods. Code is available at https://github.com/LAMDA-RL/PRDC

Solving problems through tool use under explicit constraints constitutes a highly challenging yet unavoidable scenario for large language models (LLMs), requiring capabilities such as function calling, instruction following, and self-refinement. However, progress has been hindered by the absence of dedicated evaluations. To address this, we introduce CCTU, a benchmark for evaluating LLM tool use under complex constraints. CCTU is grounded in a taxonomy of 12 constraint categories spanning four dimensions (i.e., resource, behavior, toolset, and response). The benchmark comprises 200 carefully curated and challenging test cases across diverse tool-use scenarios, each involving an average of seven constraint types and an average prompt length exceeding 4,700 tokens. To enable reliable evaluation, we develop an executable constraint validation module that performs step-level validation and enforces compliance during multi-turn interactions between models and their environments. We evaluate nine state-of-the-art LLMs in both thinking and non-thinking modes. Results indicate that when strict adherence to all constraints is required, no model achieves a task completion rate above 20%. Further analysis reveals that models violate constraints in over 50% of cases, particularly in the resource and response dimensions. Moreover, LLMs demonstrate limited capacity for self-refinement even after receiving detailed feedback on constraint violations, highlighting a critical bottleneck in the development of robust tool-use agents. To facilitate future research, we release the data and code.

Language models often struggle to follow multi-constraint instructions that are crucial for real-world applications. Existing reinforcement learning (RL) approaches suffer from dependency on external supervision and sparse reward signals from multi-constraint tasks. We propose a label-free self-supervised RL framework that eliminates dependency on external supervision by deriving reward signals directly from instructions and generating pseudo-labels for reward model training. Our approach introduces constraint decomposition strategies and efficient constraint-wise binary classification to address sparse reward challenges while maintaining computational efficiency. Experiments show that our approach generalizes well, achieving strong improvements across 3 in-domain and 5 out-of-domain datasets, including challenging agentic and multi-turn instruction following. The data and code are publicly available at https://github.com/Rainier-rq/verl-if

The adeptness of Large Language Models (LLMs) in comprehending and following natural language instructions is critical for their deployment in sophisticated real-world applications. Existing evaluations mainly focus on fragmented constraints or narrow scenarios, but they overlook the comprehensiveness and authenticity of constraints from the user's perspective. To bridge this gap, we propose CFBench, a large-scale Comprehensive Constraints Following Benchmark for LLMs, featuring 1,000 curated samples that cover more than 200 real-life scenarios and over 50 NLP tasks. CFBench meticulously compiles constraints from real-world instructions and constructs an innovative systematic framework for constraint types, which includes 10 primary categories and over 25 subcategories, and ensures each constraint is seamlessly integrated within the instructions. To make certain that the evaluation of LLM outputs aligns with user perceptions, we propose an advanced methodology that integrates multi-dimensional assessment criteria with requirement prioritization, covering various perspectives of constraints, instructions, and requirement fulfillment. Evaluating current leading LLMs on CFBench reveals substantial room for improvement in constraints following, and we further investigate influencing factors and enhancement strategies. The data and code are publicly available at https://github.com/PKU-Baichuan-MLSystemLab/CFBench

Trajectory optimization offers mature tools for motion planning in high-dimensional spaces under dynamic constraints. However, when facing complex configuration spaces, cluttered with obstacles, roboticists typically fall back to sampling-based planners that struggle in very high dimensions and with continuous differential constraints. Indeed, obstacles are the source of many textbook examples of problematic nonconvexities in the trajectory-optimization problem. Here we show that convex optimization can, in fact, be used to reliably plan trajectories around obstacles. Specifically, we consider planning problems with collision-avoidance constraints, as well as cost penalties and hard constraints on the shape, the duration, and the velocity of the trajectory. Combining the properties of Bézier curves with a recently-proposed framework for finding shortest paths in Graphs of Convex Sets (GCS), we formulate the planning problem as a compact mixed-integer optimization. In stark contrast with existing mixed-integer planners, the convex relaxation of our programs is very tight, and a cheap rounding of its solution is typically sufficient to design globally-optimal trajectories. This reduces the mixed-integer program back to a simple convex optimization, and automatically provides optimality bounds for the planned trajectories. We name the proposed planner GCS, after its underlying optimization framework. We demonstrate GCS in simulation on a variety of robotic platforms, including a quadrotor flying through buildings and a dual-arm manipulator (with fourteen degrees of freedom) moving in a confined space. Using numerical experiments on a seven-degree-of-freedom manipulator, we show that GCS can outperform widely-used sampling-based planners by finding higher-quality trajectories in less time.

Character animation in real-world scenarios necessitates a variety of constraints, such as trajectories, key-frames, interactions, etc. Existing methodologies typically treat single or a finite set of these constraint(s) as separate control tasks. They are often specialized, and the tasks they address are rarely extendable or customizable. We categorize these as solutions to the close-set motion control problem. In response to the complexity of practical motion control, we propose and attempt to solve the open-set motion control problem. This problem is characterized by an open and fully customizable set of motion control tasks. To address this, we introduce a new paradigm, programmable motion generation. In this paradigm, any given motion control task is broken down into a combination of atomic constraints. These constraints are then programmed into an error function that quantifies the degree to which a motion sequence adheres to them. We utilize a pre-trained motion generation model and optimize its latent code to minimize the error function of the generated motion. Consequently, the generated motion not only inherits the prior of the generative model but also satisfies the required constraints. Experiments show that we can generate high-quality motions when addressing a wide range of unseen tasks. These tasks encompass motion control by motion dynamics, geometric constraints, physical laws, interactions with scenes, objects or the character own body parts, etc. All of these are achieved in a unified approach, without the need for ad-hoc paired training data collection or specialized network designs. During the programming of novel tasks, we observed the emergence of new skills beyond those of the prior model. With the assistance of large language models, we also achieved automatic programming. We hope that this work will pave the way for the motion control of general AI agents.

Learning spatial-temporal correspondences in cardiac motion from images is important for understanding the underlying dynamics of cardiac anatomical structures. Many methods explicitly impose smoothness constraints such as the L_2 norm on the displacement vector field (DVF), while usually ignoring biomechanical feasibility in the transformation. Other geometric constraints either regularize specific regions of interest such as imposing incompressibility on the myocardium or introduce additional steps such as training a separate network-based regularizer on physically simulated datasets. In this work, we propose an explicit biomechanics-informed prior as regularization on the predicted DVF in modeling a more generic biomechanically plausible transformation within all cardiac structures without introducing additional training complexity. We validate our methods on two publicly available datasets in the context of 2D MRI data and perform extensive experiments to illustrate the effectiveness and robustness of our proposed methods compared to other competing regularization schemes. Our proposed methods better preserve biomechanical properties by visual assessment and show advantages in segmentation performance using quantitative evaluation metrics. The code is publicly available at https://github.com/Voldemort108X/bioinformed_reg.

Mixed-Integer Linear Programming (MILP) is a cornerstone of combinatorial optimization, yet solving large-scale instances remains a significant computational challenge. Recently, Graph Neural Networks (GNNs) have shown promise in accelerating MILP solvers by predicting high-quality solutions. However, we identify that existing methods misalign with the intrinsic structure of MILP problems at two levels. At the leaning objective level, the Binary Cross-Entropy (BCE) loss treats variables independently, neglecting their relative priority and yielding plausible logits. At the model architecture level, standard GNN message passing inherently smooths the representations across variables, missing the natural competitive relationships within constraints. To address these challenges, we propose CoCo-MILP, which explicitly models inter-variable Contrast and intra-constraint Competition for advanced MILP solution prediction. At the objective level, CoCo-MILP introduces the Inter-Variable Contrastive Loss (VCL), which explicitly maximizes the embedding margin between variables assigned one versus zero. At the architectural level, we design an Intra-Constraint Competitive GNN layer that, instead of homogenizing features, learns to differentiate representations of competing variables within a constraint, capturing their exclusionary nature. Experimental results on standard benchmarks demonstrate that CoCo-MILP significantly outperforms existing learning-based approaches, reducing the solution gap by up to 68.12% compared to traditional solvers. Our code is available at https://github.com/happypu326/CoCo-MILP.

User alignment is crucial for adapting general-purpose language models (LMs) to downstream tasks, but human annotations are often not available for all types of instructions, especially those with customized constraints. We observe that user instructions typically contain constraints. While assessing response quality in terms of the whole instruction is often costly, efficiently evaluating the satisfaction rate of constraints is feasible. We investigate common constraints in NLP tasks, categorize them into three classes based on the types of their arguments, and propose a unified framework, ACT (Aligning to ConsTraints), to automatically produce supervision signals for user alignment with constraints. Specifically, ACT uses constraint verifiers, which are typically easy to implement in practice, to compute constraint satisfaction rate (CSR) of each response. It samples multiple responses for each prompt and collect preference labels based on their CSR automatically. Subsequently, ACT adapts the LM to the target task through a ranking-based learning process. Experiments on fine-grained entity typing, abstractive summarization, and temporal question answering show that ACT is able to enhance LMs' capability to adhere to different classes of constraints, thereby improving task performance. Further experiments show that the constraint-following capabilities are transferable.

The aim of this article is to introduce a new methodology for constructing morphings between shapes that have identical topology. This morphing is obtained by deforming a reference shape, through the resolution of a sequence of linear elasticity equations, onto the target shape. In particular, our approach does not assume any knowledge of a boundary parametrization. Furthermore, we demonstrate how constraints can be imposed on specific points, lines and surfaces in the reference domain to ensure alignment with their counterparts in the target domain after morphing. Additionally, we show how the proposed methodology can be integrated in an offline and online paradigm, which is useful in reduced-order modeling scenarii involving variable shapes. This framework facilitates the efficient computation of the morphings in various geometric configurations, thus improving the versatility and applicability of the approach. The methodology is illustrated on the regression problem of the drag and lift coefficients of airfoils of non-parameterized variable shapes.

Learning discriminative face features plays a major role in building high-performing face recognition models. The recent state-of-the-art face recognition solutions proposed to incorporate a fixed penalty margin on commonly used classification loss function, softmax loss, in the normalized hypersphere to increase the discriminative power of face recognition models, by minimizing the intra-class variation and maximizing the inter-class variation. Marginal penalty softmax losses, such as ArcFace and CosFace, assume that the geodesic distance between and within the different identities can be equally learned using a fixed penalty margin. However, such a learning objective is not realistic for real data with inconsistent inter-and intra-class variation, which might limit the discriminative and generalizability of the face recognition model. In this paper, we relax the fixed penalty margin constrain by proposing elastic penalty margin loss (ElasticFace) that allows flexibility in the push for class separability. The main idea is to utilize random margin values drawn from a normal distribution in each training iteration. This aims at giving the decision boundary chances to extract and retract to allow space for flexible class separability learning. We demonstrate the superiority of our ElasticFace loss over ArcFace and CosFace losses, using the same geometric transformation, on a large set of mainstream benchmarks. From a wider perspective, our ElasticFace has advanced the state-of-the-art face recognition performance on seven out of nine mainstream benchmarks.

The safety alignment of large language models (LLMs) can be circumvented through adversarially crafted inputs, yet the mechanisms by which these attacks bypass safety barriers remain poorly understood. Prior work suggests that a single refusal direction in the model's activation space determines whether an LLM refuses a request. In this study, we propose a novel gradient-based approach to representation engineering and use it to identify refusal directions. Contrary to prior work, we uncover multiple independent directions and even multi-dimensional concept cones that mediate refusal. Moreover, we show that orthogonality alone does not imply independence under intervention, motivating the notion of representational independence that accounts for both linear and non-linear effects. Using this framework, we identify mechanistically independent refusal directions. We show that refusal mechanisms in LLMs are governed by complex spatial structures and identify functionally independent directions, confirming that multiple distinct mechanisms drive refusal behavior. Our gradient-based approach uncovers these mechanisms and can further serve as a foundation for future work on understanding LLMs.

Sublinear time complexity is required by the massively parallel computation (MPC) model. Breaking dynamic programs into a set of sparse dynamic programs that can be divided, solved, and merged in sublinear time. The rectangle escape problem (REP) is defined as follows: For n axis-aligned rectangles inside an axis-aligned bounding box B, extend each rectangle in only one of the four directions: up, down, left, or right until it reaches B and the density k is minimized, where k is the maximum number of extensions of rectangles to the boundary that pass through a point inside bounding box B. REP is NP-hard for k>1. If the rectangles are points of a grid (or unit squares of a grid), the problem is called the square escape problem (SEP) and it is still NP-hard. We give a 2-approximation algorithm for SEP with kgeq2 with time complexity O(n^{3/2}k^2). This improves the time complexity of existing algorithms which are at least quadratic. Also, the approximation ratio of our algorithm for kgeq 3 is 3/2 which is tight. We also give a 8-approximation algorithm for REP with time complexity O(nlog n+nk) and give a MPC version of this algorithm for k=O(1) which is the first parallel algorithm for this problem.

Large Language Models (LLMs) excel at generating fluent text but struggle to enforce external constraints because they generate tokens sequentially without explicit control mechanisms. GenCP addresses this limitation by combining LLM predictions with Constraint Programming (CP) reasoning, formulating text generation as a Constraint Satisfaction Problem (CSP). In this paper, we improve GenCP by integrating Masked Language Models (MLMs) for domain generation, which allows bidirectional constraint propagation that leverages both past and future tokens. This integration bridges the gap between token-level prediction and structured constraint enforcement, leading to more reliable and constraint-aware text generation. Our evaluation on COLLIE benchmarks demonstrates that incorporating domain preview via MLM calls significantly improves GenCP's performance. Although this approach incurs additional MLM calls and, in some cases, increased backtracking, the overall effect is a more efficient use of LLM inferences and an enhanced ability to generate feasible and meaningful solutions, particularly in tasks with strict content constraints.

Effective scheduling under tight resource, timing, and operational constraints underpins large-scale planning across sectors such as capital projects, manufacturing, logistics, and IT fleet transitions. However, the reliability of large language models (LLMs) when reasoning under high-constraint regimes is insufficiently characterized. To address this gap, we present R-ConstraintBench, a scalable framework that evaluates models on Resource-Constrained Project Scheduling Problems (RCPSP), an NP-Complete feasibility class, while difficulty increases via linear growth in constraints. R-ConstraintBench incrementally increases non-redundant precedence constraints in Directed Acyclic Graphs (DAGs) and then introduces downtime, temporal windows, and disjunctive constraints. As an illustrative example, we instantiate the benchmark in a data center migration setting and evaluate multiple LLMs using feasibility and error analysis, identifying degradation thresholds and constraint types most associated with failure. Empirically, strong models are near-ceiling on precedence-only DAGs, but feasibility performance collapses when downtime, temporal windows, and disjunctive constraints interact, implicating constraint interaction, not graph depth, as the principal bottleneck. Performance on clean synthetic ramps also does not guarantee transfer to domain-grounded scenarios, underscoring limited generalization.

Task-oriented dialogues must maintain consistency both within the dialogue itself, ensuring logical coherence across turns, and with the conversational domain, accurately reflecting external knowledge. We propose to conceptualize dialogue consistency as a Constraint Satisfaction Problem (CSP), wherein variables represent segments of the dialogue referencing the conversational domain, and constraints among variables reflect dialogue properties, including linguistic, conversational, and domain-based aspects. To demonstrate the feasibility of the approach, we utilize a CSP solver to detect inconsistencies in dialogues re-lexicalized by an LLM. Our findings indicate that: (i) CSP is effective to detect dialogue inconsistencies; and (ii) consistent dialogue re-lexicalization is challenging for state-of-the-art LLMs, achieving only a 0.15 accuracy rate when compared to a CSP solver. Furthermore, through an ablation study, we reveal that constraints derived from domain knowledge pose the greatest difficulty in being respected. We argue that CSP captures core properties of dialogue consistency that have been poorly considered by approaches based on component pipelines.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Content-aware layout generation is a critical task in graphic design automation, focused on creating visually appealing arrangements of elements that seamlessly blend with a given background image. The variety of real-world applications makes it highly challenging to develop a single model capable of unifying the diverse range of input-constrained generation sub-tasks, such as those conditioned by element types, sizes, or their relationships. Current methods either address only a subset of these tasks or necessitate separate model parameters for different conditions, failing to offer a truly unified solution. In this paper, we propose UniLayDiff: a Unified Diffusion Transformer, that for the first time, addresses various content-aware layout generation tasks with a single, end-to-end trainable model. Specifically, we treat layout constraints as a distinct modality and employ Multi-Modal Diffusion Transformer framework to capture the complex interplay between the background image, layout elements, and diverse constraints. Moreover, we integrate relation constraints through fine-tuning the model with LoRA after pretraining the model on other tasks. Such a schema not only achieves unified conditional generation but also enhances overall layout quality. Extensive experiments demonstrate that UniLayDiff achieves state-of-the-art performance across from unconditional to various conditional generation tasks and, to the best of our knowledge, is the first model to unify the full range of content-aware layout generation tasks.

Code generation, symbolic math reasoning, and other tasks require LLMs to produce outputs that are both syntactically and semantically correct. Constrained LLM generation is a promising direction to enforce adherence to formal grammar, but prior works have empirically observed that strict enforcement of formal constraints often diminishes the reasoning capabilities of LLMs. In this work, we first provide a theoretical explanation for why constraining LLM outputs to very restrictive grammars that only allow syntactically valid final answers reduces the reasoning capabilities of the model. Second, we demonstrate that by augmenting the output grammar with carefully designed additional rules, it is always possible to preserve the reasoning capabilities of the LLM while ensuring syntactic and semantic correctness in its outputs. Building on these theoretical insights, we propose a reasoning-augmented constrained decoding algorithm, CRANE, which effectively balances the correctness of constrained generation with the flexibility of unconstrained generation. Experiments on multiple open-source LLMs and benchmarks show that CRANE significantly outperforms both state-of-the-art constrained decoding strategies and standard unconstrained decoding, showing up to 10% points accuracy improvement over baselines on challenging symbolic reasoning benchmarks GSM-symbolic and FOLIO.

We revisit the structure learning problem for dynamic Bayesian networks and propose a method that simultaneously estimates contemporaneous (intra-slice) and time-lagged (inter-slice) relationships between variables in a time-series. Our approach is score-based, and revolves around minimizing a penalized loss subject to an acyclicity constraint. To solve this problem, we leverage a recent algebraic result characterizing the acyclicity constraint as a smooth equality constraint. The resulting algorithm, which we call DYNOTEARS, outperforms other methods on simulated data, especially in high-dimensions as the number of variables increases. We also apply this algorithm on real datasets from two different domains, finance and molecular biology, and analyze the resulting output. Compared to state-of-the-art methods for learning dynamic Bayesian networks, our method is both scalable and accurate on real data. The simple formulation and competitive performance of our method make it suitable for a variety of problems where one seeks to learn connections between variables across time.

Disassembly is a crucial yet challenging step in binary analysis. While emerging neural disassemblers show promise for efficiency and accuracy, they frequently generate outputs violating fundamental structural constraints, which significantly compromise their practical usability. To address this critical problem, we regularize the disassembly solution space by formalizing and applying key structural constraints based on post-dominance relations. This approach systematically detects widespread errors in existing neural disassemblers' outputs. These errors often originate from models' limited context modeling and instruction-level decoding that neglect global structural integrity. We introduce Tady, a novel neural disassembler featuring an improved model architecture and a dedicated post-processing algorithm, specifically engineered to address these deficiencies. Comprehensive evaluations on diverse binaries demonstrate that Tady effectively eliminates structural constraint violations and functions with high efficiency, while maintaining instruction-level accuracy.

Diffusion models have become popular for policy learning in robotics due to their ability to capture high-dimensional and multimodal distributions. However, diffusion policies are stochastic and typically trained offline, limiting their ability to handle unseen and dynamic conditions where novel constraints not represented in the training data must be satisfied. To overcome this limitation, we propose diffusion predictive control with constraints (DPCC), an algorithm for diffusion-based control with explicit state and action constraints that can deviate from those in the training data. DPCC incorporates model-based projections into the denoising process of a trained trajectory diffusion model and uses constraint tightening to account for model mismatch. This allows us to generate constraint-satisfying, dynamically feasible, and goal-reaching trajectories for predictive control. We show through simulations of a robot manipulator that DPCC outperforms existing methods in satisfying novel test-time constraints while maintaining performance on the learned control task.

We investigate how pair-wise data augmentation techniques like Mixup affect the sample complexity of finding optimal decision boundaries in a binary linear classification problem. For a family of data distributions with a separability constant kappa, we analyze how well the optimal classifier in terms of training loss aligns with the optimal one in test accuracy (i.e., Bayes optimal classifier). For vanilla training without augmentation, we uncover an interesting phenomenon named the curse of separability. As we increase kappa to make the data distribution more separable, the sample complexity of vanilla training increases exponentially in kappa; perhaps surprisingly, the task of finding optimal decision boundaries becomes harder for more separable distributions. For Mixup training, we show that Mixup mitigates this problem by significantly reducing the sample complexity. To this end, we develop new concentration results applicable to n^2 pair-wise augmented data points constructed from n independent data, by carefully dealing with dependencies between overlapping pairs. Lastly, we study other masking-based Mixup-style techniques and show that they can distort the training loss and make its minimizer converge to a suboptimal classifier in terms of test accuracy.

Recently, a large amount of work has focused on improving large language models' (LLMs') performance on reasoning benchmarks such as math and logic. However, past work has largely assumed that tasks are well-defined. In the real world, queries to LLMs are often underspecified, only solvable through acquiring missing information. We formalize this as a constraint satisfaction problem (CSP) with missing variable assignments. Using a special case of this formalism where only one necessary variable assignment is missing, we can rigorously evaluate an LLM's ability to identify the minimal necessary question to ask and quantify axes of difficulty levels for each problem. We present QuestBench, a set of underspecified reasoning tasks solvable by asking at most one question, which includes: (1) Logic-Q: Logical reasoning tasks with one missing proposition, (2) Planning-Q: PDDL planning problems with initial states that are partially-observed, (3) GSM-Q: Human-annotated grade school math problems with one missing variable assignment, and (4) GSME-Q: a version of GSM-Q where word problems are translated into equations by human annotators. The LLM is tasked with selecting the correct clarification question(s) from a list of options. While state-of-the-art models excel at GSM-Q and GSME-Q, their accuracy is only 40-50% on Logic-Q and Planning-Q. Analysis demonstrates that the ability to solve well-specified reasoning problems may not be sufficient for success on our benchmark: models have difficulty identifying the right question to ask, even when they can solve the fully specified version of the problem. Furthermore, in the Planning-Q domain, LLMs tend not to hedge, even when explicitly presented with the option to predict ``not sure.'' This highlights the need for deeper investigation into models' information acquisition capabilities.

Imbalanced distributions are ubiquitous in real-world data. They create constraints on Deep Neural Networks to represent the minority labels and avoid bias towards majority labels. The extensive body of imbalanced approaches address categorical label spaces but fail to effectively extend to regression problems where the label space is continuous. Local and global correlations among continuous labels provide valuable insights towards effectively modelling relationships in feature space. In this work, we propose ConR, a contrastive regularizer that models global and local label similarities in feature space and prevents the features of minority samples from being collapsed into their majority neighbours. ConR discerns the disagreements between the label space and feature space and imposes a penalty on these disagreements. ConR addresses the continuous nature of label space with two main strategies in a contrastive manner: incorrect proximities are penalized proportionate to the label similarities and the correct ones are encouraged to model local similarities. ConR consolidates essential considerations into a generic, easy-to-integrate, and efficient method that effectively addresses deep imbalanced regression. Moreover, ConR is orthogonal to existing approaches and smoothly extends to uni- and multi-dimensional label spaces. Our comprehensive experiments show that ConR significantly boosts the performance of all the state-of-the-art methods on four large-scale deep imbalanced regression benchmarks. Our code is publicly available in https://github.com/BorealisAI/ConR.

Large language models (LLMs) have advanced significantly in code generation, yet their ability to follow complex programming instructions with layered and diverse constraints remains underexplored. Existing benchmarks often prioritize functional correctness, overlooking the nuanced requirements found in real-world development. We introduce MultiCodeIF, a comprehensive benchmark designed to evaluate instruction-following in code generation across multiple dimensions: constraint type, hierarchical levels, and iterative refinement. Built upon a structured taxonomy of 9 categories and 27 constraint types, MultiCodeIF enables granular assessment of both functional and non-functional instruction adherence. Using an automated pipeline, ConstraGen, we synthesize and evolve 2,021 code tasks sourced from 14 programming languages, supporting multi-turn evaluation through feedback-driven task variants. Empirical evaluation of six state-of-the-art LLMs uncovers substantial performance disparities. The top-performing model, Claude-3-7-Sonnet, achieves 63.0% average constraint satisfaction, while smaller models like Qwen3-1.7B fall to 44.8%. Models perform well on explicit constraints, but struggle with implicit or abstract constraints. Tasks with multiple hierarchical constraints significantly reduce model success rates, from 54.5% in single-level to just 18.8% in multi-level scenarios. However, structured feedback enables progressive improvement: average constraint satisfaction rises from 63.0% to 83.4% over four iterative refinement rounds. MultiCodeIF provides a scalable, constraint-aware, and feedback-sensitive framework to benchmark LLMs under realistic code generation scenarios, bridging the gap between synthetic evaluations and real-world instruction complexity. The full benchmark dataset, evaluation pipeline, and source code are available at https://github.com/SYSUSELab/MultiCodeIF.

Large Language Models (LLMs) struggle to directly generate correct plans for complex multi-constraint planning problems, even with self-verification and self-critique. For example, a U.S. domestic travel planning benchmark TravelPlanner was proposed in Xie et al. (2024), where the best LLM OpenAI o1-preview can only find viable travel plans with a 10% success rate given all needed information. In this work, we tackle this by proposing an LLM-based planning framework that formalizes and solves complex multi-constraint planning problems as constrained satisfiability problems, which are further consumed by sound and complete satisfiability solvers. We start with TravelPlanner as the primary use case and show that our framework achieves a success rate of 93.9% and is effective with diverse paraphrased prompts. More importantly, our framework has strong zero-shot generalizability, successfully handling unseen constraints in our newly created unseen international travel dataset and generalizing well to new fundamentally different domains. Moreover, when user input queries are infeasible, our framework can identify the unsatisfiable core, provide failure reasons, and offers personalized modification suggestions. We show that our framework can modify and solve for an average of 81.6% and 91.7% unsatisfiable queries from two datasets and prove with ablations that all key components of our framework are effective and necessary. Project page: https://sites.google.com/view/llm-rwplanning.

We present a novel approach to formalise and solve search-based problems using large language models, which significantly improves upon previous state-of-the-art results. We demonstrate the efficacy of this approach on the logic puzzles benchmark ZebraLogicBench. Instead of letting the LLM attempt to directly solve the puzzles, our method prompts the model to formalise the problem in a logic-focused domain-specific language (DSL) called Logic.py. This formalised representation is then solved using a constraint solver, leveraging the strengths of both the language model and the solver. Our approach achieves a remarkable 65% absolute improvement over the baseline performance of Llama 3.1 70B on ZebraLogicBench, setting a new state-of-the-art with an accuracy of over 90%. This significant advancement demonstrates the potential of combining language models with domain-specific languages and auxiliary tools on traditionally challenging tasks for LLMs.

Large language models (LLMs) are increasingly expected to tackle complex tasks, driven by their expanding applications and users' growing proficiency in crafting sophisticated prompts. However, as the number of explicitly stated requirements increases (particularly more than 10 constraints), LLMs often struggle to accurately follow such complex instructions, which limits their applicability in complex real-world scenarios. To the best of our knowledge, existing datasets do not exceed 10 constraints per instance. To address this challenge, we propose RECAST, an efficient and scalable framework for synthesizing datasets where each example incorporates far more constraints than those in existing benchmarks, aiming to challenge and extend the boundaries of models' ability to follow complex instructions. These constraints are extracted from real-world prompt-response pairs to ensure practical relevance. Using this framework, we construct RECAST-30K, a large-scale, high-quality dataset comprising 30k instances spanning 19 constraint types. Experimental results demonstrate that models finetuned on RECAST-30K substantially improve in following complex instructions while maintaining their general capabilities without degradation. Moreover, RECAST enables automatic verification of constraint satisfaction via rule-based validators for quantitative constraints and LLM-based validators for qualitative ones; the verifiability provided by RECAST enables the design of reward functions for reinforcement learning, which further boosts model performance on complex and challenging tasks.

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed ell^2 Lipschitz bounds, i.e. limited sensitivity to input perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP). We provide a ``direct'' parameterization, i.e., a smooth mapping from mathbb R^N onto the set of weights satisfying the SDP-based bound. Moreover, our parameterization is complete, i.e. a neural network satisfies the SDP bound if and only if it can be represented via our parameterization. This enables training using standard gradient methods, without any inner approximation or computationally intensive tasks (e.g. projections or barrier terms) for the SDP constraint. The new parameterization can equivalently be thought of as either a new layer type (the sandwich layer), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. A comprehensive set of experiments on image classification shows that sandwich layers outperform previous approaches on both empirical and certified robust accuracy. Code is available at https://github.com/acfr/LBDN.

Sparsely-gated Mixture of Expert (MoE) layers have been recently successfully applied for scaling large transformers, especially for language modeling tasks. An intriguing side effect of sparse MoE layers is that they convey inherent interpretability to a model via natural expert specialization. In this work, we apply sparse MoE layers to CNNs for computer vision tasks and analyze the resulting effect on model interpretability. To stabilize MoE training, we present both soft and hard constraint-based approaches. With hard constraints, the weights of certain experts are allowed to become zero, while soft constraints balance the contribution of experts with an additional auxiliary loss. As a result, soft constraints handle expert utilization better and support the expert specialization process, while hard constraints maintain more generalized experts and increase overall model performance. Our findings demonstrate that experts can implicitly focus on individual sub-domains of the input space. For example, experts trained for CIFAR-100 image classification specialize in recognizing different domains such as flowers or animals without previous data clustering. Experiments with RetinaNet and the COCO dataset further indicate that object detection experts can also specialize in detecting objects of distinct sizes.

There have been recent efforts for incorporating Graph Neural Network models for learning full-stack solvers for constraint satisfaction problems (CSP) and particularly Boolean satisfiability (SAT). Despite the unique representational power of these neural embedding models, it is not clear how the search strategy in the learned models actually works. On the other hand, by fixing the search strategy (e.g. greedy search), we would effectively deprive the neural models of learning better strategies than those given. In this paper, we propose a generic neural framework for learning CSP solvers that can be described in terms of probabilistic inference and yet learn search strategies beyond greedy search. Our framework is based on the idea of propagation, decimation and prediction (and hence the name PDP) in graphical models, and can be trained directly toward solving CSP in a fully unsupervised manner via energy minimization, as shown in the paper. Our experimental results demonstrate the effectiveness of our framework for SAT solving compared to both neural and the state-of-the-art baselines.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

Deep neural networks have achieved remarkable performance on a range of classification tasks, with softmax cross-entropy (CE) loss emerging as the de-facto objective function. The CE loss encourages features of a class to have a higher projection score on the true class-vector compared to the negative classes. However, this is a relative constraint and does not explicitly force different class features to be well-separated. Motivated by the observation that ground-truth class representations in CE loss are orthogonal (one-hot encoded vectors), we develop a novel loss function termed `Orthogonal Projection Loss' (OPL) which imposes orthogonality in the feature space. OPL augments the properties of CE loss and directly enforces inter-class separation alongside intra-class clustering in the feature space through orthogonality constraints on the mini-batch level. As compared to other alternatives of CE, OPL offers unique advantages e.g., no additional learnable parameters, does not require careful negative mining and is not sensitive to the batch size. Given the plug-and-play nature of OPL, we evaluate it on a diverse range of tasks including image recognition (CIFAR-100), large-scale classification (ImageNet), domain generalization (PACS) and few-shot learning (miniImageNet, CIFAR-FS, tiered-ImageNet and Meta-dataset) and demonstrate its effectiveness across the board. Furthermore, OPL offers better robustness against practical nuisances such as adversarial attacks and label noise. Code is available at: https://github.com/kahnchana/opl.

The concept of causal abstraction got recently popularised to demystify the opaque decision-making processes of machine learning models; in short, a neural network can be abstracted as a higher-level algorithm if there exists a function which allows us to map between them. Notably, most interpretability papers implement these maps as linear functions, motivated by the linear representation hypothesis: the idea that features are encoded linearly in a model's representations. However, this linearity constraint is not required by the definition of causal abstraction. In this work, we critically examine the concept of causal abstraction by considering arbitrarily powerful alignment maps. In particular, we prove that under reasonable assumptions, any neural network can be mapped to any algorithm, rendering this unrestricted notion of causal abstraction trivial and uninformative. We complement these theoretical findings with empirical evidence, demonstrating that it is possible to perfectly map models to algorithms even when these models are incapable of solving the actual task; e.g., on an experiment using randomly initialised language models, our alignment maps reach 100% interchange-intervention accuracy on the indirect object identification task. This raises the non-linear representation dilemma: if we lift the linearity constraint imposed to alignment maps in causal abstraction analyses, we are left with no principled way to balance the inherent trade-off between these maps' complexity and accuracy. Together, these results suggest an answer to our title's question: causal abstraction is not enough for mechanistic interpretability, as it becomes vacuous without assumptions about how models encode information. Studying the connection between this information-encoding assumption and causal abstraction should lead to exciting future work.

Creating layouts is a fundamental step in graphic design. In this work, we propose to use text as the guidance to create graphic layouts, i.e., Text-to-Layout, aiming to lower the design barriers. Text-to-Layout is a challenging task, because it needs to consider the implicit, combined, and incomplete layout constraints from text, each of which has not been studied in previous work. To address this, we present a two-stage approach, named parse-then-place. The approach introduces an intermediate representation (IR) between text and layout to represent diverse layout constraints. With IR, Text-to-Layout is decomposed into a parse stage and a place stage. The parse stage takes a textual description as input and generates an IR, in which the implicit constraints from the text are transformed into explicit ones. The place stage generates layouts based on the IR. To model combined and incomplete constraints, we use a Transformer-based layout generation model and carefully design a way to represent constraints and layouts as sequences. Besides, we adopt the pretrain-then-finetune strategy to boost the performance of the layout generation model with large-scale unlabeled layouts. To evaluate our approach, we construct two Text-to-Layout datasets and conduct experiments on them. Quantitative results, qualitative analysis, and user studies demonstrate the effectiveness of our approach.

Natural language descriptions of optimization or satisfaction problems are challenging to translate into correct MiniZinc models, as this process demands both logical reasoning and constraint programming expertise. We introduce Gala, a framework that addresses this challenge with a global agentic approach: multiple specialized large language model (LLM) agents decompose the modeling task by global constraint type. Each agent is dedicated to detecting and generating code for a specific class of global constraint, while a final assembler agent integrates these constraint snippets into a complete MiniZinc model. By dividing the problem into smaller, well-defined sub-tasks, each LLM handles a simpler reasoning challenge, potentially reducing overall complexity. We conduct initial experiments with several LLMs and show better performance against baselines such as one-shot prompting and chain-of-thought prompting. Finally, we outline a comprehensive roadmap for future work, highlighting potential enhancements and directions for improvement.

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as ``the simple method'') optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi--Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. To outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

Hyper-Connections (HC) generalize residual connections into multiple streams, employing residual matrices for cross-stream feature mixing to enrich model expressivity. However, unconstrained mixing disrupts the identity mapping property intrinsic to the residual connection, causing unstable training. To address this, Manifold-Constrained Hyper-Connections (mHC) and its variant restrict these matrices to the Birkhoff polytope (doubly stochastic matrices) via Sinkhorn iterations or permutation-based parameterizations. We reveal three limitations of this polytope constraint: (1) identity degeneration, where learned matrices collapse around the identity and diminish cross-stream interactions, (2) an expressivity bottleneck, as the non-negativity constraint prevents subtractive feature disentanglement, and (3) parameterization inefficiencies, manifesting as unstable Sinkhorn iterations or the factorial-scaling overhead of permutation-based parameterizations. To overcome these flaws, we propose Spectral-Sphere-Constrained Hyper-Connections (sHC). By geometrically shifting the feasible set from a rigid polytope to a spectral norm sphere, sHC allows negative entries, unlocking subtractive interactions for selective feature diversification. This shift eliminates unstable Sinkhorn projections and factorial parameterization, enabling expressive, non-degenerate residual matrices while preserving training stability.

Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations. The potential of large language models (LLMs) for automatic generation of modeling code has been demonstrated. However, non-executable or physically inconsistent outputs remain prevalent under stringent engineering constraints. A framework for physics-consistent automatic building modeling is therefore proposed, integrating domain knowledge construction, constraint-oriented model alignment, and verification-driven evaluation. CivilInstruct is introduced as a domain-specific dataset that formalizes structural engineering knowledge and constraint reasoning to enable simulation-ready model generation. A two-stage fine-tuning strategy is further employed to enforce constraint satisfaction and application programming interface compliance, substantially reducing hallucinated and non-conforming outputs. MBEval is presented as a verification-driven benchmark that evaluates executability and structural dynamics consistency through closed-loop validation. Experimental results show consistent improvements over baselines across rigorous verification metrics. Our code is available at https://github.com/Jovanqing/AutoBM.

The CASH problem has been widely studied in the context of automated configurations of machine learning (ML) pipelines and various solvers and toolkits are available. However, CASH solvers do not directly handle black-box constraints such as fairness, robustness or other domain-specific custom constraints. We present our recent approach [Liu, et al., 2020] that leverages the ADMM optimization framework to decompose CASH into multiple small problems and demonstrate how ADMM facilitates incorporation of black-box constraints.

Deep learning models fail on cross-domain challenges if the model is oversensitive to domain-specific attributes, e.g., lightning, background, camera angle, etc. To alleviate this problem, data augmentation coupled with consistency regularization are commonly adopted to make the model less sensitive to domain-specific attributes. Consistency regularization enforces the model to output the same representation or prediction for two views of one image. These constraints, however, are either too strict or not order-preserving for the classification probabilities. In this work, we propose the Order-preserving Consistency Regularization (OCR) for cross-domain tasks. The order-preserving property for the prediction makes the model robust to task-irrelevant transformations. As a result, the model becomes less sensitive to the domain-specific attributes. The comprehensive experiments show that our method achieves clear advantages on five different cross-domain tasks.

Neuro-symbolic systems aim to combine the expressive structure of symbolic logic with the flexibility of neural learning; yet, generative models typically lack mechanisms to enforce declarative constraints at generation time. We propose Logic-Guided Vector Fields (LGVF), a neuro-symbolic framework that injects symbolic knowledge, specified as differentiable relaxations of logical constraints, into flow matching generative models. LGVF couples two complementary mechanisms: (1) a training-time logic loss that penalizes constraint violations along continuous flow trajectories, with weights that emphasize correctness near the target distribution; and (2) an inference-time adjustment that steers sampling using constraint gradients, acting as a lightweight, logic-informed correction to the learned dynamics. We evaluate LGVF on three constrained generation case studies spanning linear, nonlinear, and multi-region feasibility constraints. Across all settings, LGVF reduces constraint violations by 59-82% compared to standard flow matching and achieves the lowest violation rates in each case. In the linear and ring settings, LGVF also improves distributional fidelity as measured by MMD, while in the multi-obstacle setting, we observe a satisfaction-fidelity trade-off, with improved feasibility but increased MMD. Beyond quantitative gains, LGVF yields constraint-aware vector fields exhibiting emergent obstacle-avoidance behavior, routing samples around forbidden regions without explicit path planning.

We address the problem of finite-horizon control of a discrete-time linear system, where the initial state distribution follows a Gaussian mixture model, the terminal state must follow a specified Gaussian distribution, and the state and control inputs must obey chance constraints. We show that, throughout the time horizon, the state and control distributions are fully characterized by Gaussian mixtures. We then formulate the cost, distributional terminal constraint, and affine/2-norm chance constraints on the state and control, as convex functions of the decision variables. This is leveraged to formulate the chance-constrained path planning problem as a single convex optimization problem. A numerical example demonstrates the effectiveness of the proposed method.

This research investigates how Machine Learning (ML) algorithms can assist in workload allocation strategies by detecting tasks with node affinity operators (referred to as constraint operators), which constrain their execution to a limited number of nodes. Using real-world Google Cluster Data (GCD) workload traces and the AGOCS framework, the study extracts node attributes and task constraints, then analyses them to identify suitable node-task pairings. It focuses on tasks that can be executed on either a single node or fewer than a thousand out of 12.5k nodes in the analysed GCD cluster. Task constraint operators are compacted, pre-processed with one-hot encoding, and used as features in a training dataset. Various ML classifiers, including Artificial Neural Networks, K-Nearest Neighbours, Decision Trees, Naive Bayes, Ridge Regression, Adaptive Boosting, and Bagging, are fine-tuned and assessed for accuracy and F1-scores. The final ensemble voting classifier model achieved 98% accuracy and a 1.5-1.8% misclassification rate for tasks with a single suitable node.

Mixture-of-Experts (MoE) architectures achieve parameter efficiency through conditional computation, yet contemporary designs suffer from two fundamental limitations: structural parameter isolation that causes catastrophic forgetting, and instruction-overfitting that degrades performance in instruction-free scenarios. We propose CDSP-MoE (Conflict-Driven Subspace Pruning MoE), a framework that addresses these issues through a paradigm shift from isolated expert containers to dynamic expert instantiation within a shared physical subspace. Grounded in the Universal Weight Subspace Hypothesis, CDSP-MoE maintains a super-complete parameter backbone where logical experts are carved out via learnable topology masks. Unlike prior work that uses gradient conflict for token reassignment or optimization surgery, we leverage it as a structural supervisory signal: a Lagged Gradient Game penalizes interfering connections in the shared manifold, enabling the topology to spontaneously prune conflicting pathways and evolve interpretable modular structures. Experimental results demonstrate that CDSP-MoE achieves robust content-driven routing without human-defined task labels, maintaining semantic specialization even under strict blind inference protocols where explicit instructions are absent. Code is available at: https://github.com/konodiodaaaaa1/Conflict-Driven-Subspace-Pruning-Mixture-of-Experts

Recent work in scientific machine learning (SciML) has focused on incorporating partial differential equation (PDE) information into the learning process. Much of this work has focused on relatively ``easy'' PDE operators (e.g., elliptic and parabolic), with less emphasis on relatively ``hard'' PDE operators (e.g., hyperbolic). Within numerical PDEs, the latter problem class requires control of a type of volume element or conservation constraint, which is known to be challenging. Delivering on the promise of SciML requires seamlessly incorporating both types of problems into the learning process. To address this issue, we propose ProbConserv, a framework for incorporating conservation constraints into a generic SciML architecture. To do so, ProbConserv combines the integral form of a conservation law with a Bayesian update. We provide a detailed analysis of ProbConserv on learning with the Generalized Porous Medium Equation (GPME), a widely-applicable parameterized family of PDEs that illustrates the qualitative properties of both easier and harder PDEs. ProbConserv is effective for easy GPME variants, performing well with state-of-the-art competitors; and for harder GPME variants it outperforms other approaches that do not guarantee volume conservation. ProbConserv seamlessly enforces physical conservation constraints, maintains probabilistic uncertainty quantification (UQ), and deals well with shocks and heteroscedasticities. In each case, it achieves superior predictive performance on downstream tasks.

Constraints are critical in text generation as LLM outputs are often unreliable when it comes to ensuring generated outputs adhere to user defined instruction or general safety guidelines. To address this gap, we present Constrained Discrete Diffusion (CDD), a novel method for enforcing constraints on natural language by integrating discrete diffusion models with differentiable optimization. Unlike conventional text generators, which often rely on post-hoc filtering or model retraining for controllable generation, we propose imposing constraints directly into the discrete diffusion sampling process. We illustrate how this technique can be applied to satisfy a variety of natural language constraints, including (i) toxicity mitigation by preventing harmful content from emerging, (ii) character and sequence level lexical constraints, and (iii) novel molecule sequence generation with specific property adherence. Experimental results show that our constraint-aware procedure achieves high fidelity in meeting these requirements while preserving fluency and semantic coherence, outperforming auto-regressive and existing discrete diffusion approaches.

Instruction following is a key capability for LLMs. However, recent studies have shown that LLMs often struggle with instructions containing multiple constraints (e.g. a request to create a social media post "in a funny tone" with "no hashtag"). Despite this, most evaluations focus solely on synthetic data. To address this, we introduce RealInstruct, the first benchmark designed to evaluate LLMs' ability to follow real-world multi-constrained instructions by leveraging queries real users asked AI assistants. We also investigate model-based evaluation as a cost-effective alternative to human annotation for this task. Our findings reveal that even the proprietary GPT-4 model fails to meet at least one constraint on over 21% of instructions, highlighting the limitations of state-of-the-art models. To address the performance gap between open-source and proprietary models, we propose the Decompose, Critique and Refine (DeCRIM) self-correction pipeline, which enhances LLMs' ability to follow constraints. DeCRIM works by decomposing the original instruction into a list of constraints and using a Critic model to decide when and where the LLM's response needs refinement. Our results show that DeCRIM improves Mistral's performance by 7.3% on RealInstruct and 8.0% on IFEval even with weak feedback. Moreover, we demonstrate that with strong feedback, open-source LLMs with DeCRIM can outperform GPT-4 on both benchmarks.

In recent years, Reinforcement Learning (RL) has been applied to real-world problems with increasing success. Such applications often require to put constraints on the agent's behavior. Existing algorithms for constrained RL (CRL) rely on gradient descent-ascent, but this approach comes with a caveat. While these algorithms are guaranteed to converge on average, they do not guarantee last-iterate convergence, i.e., the current policy of the agent may never converge to the optimal solution. In practice, it is often observed that the policy alternates between satisfying the constraints and maximizing the reward, rarely accomplishing both objectives simultaneously. Here, we address this problem by introducing Reinforcement Learning with Optimistic Ascent-Descent (ReLOAD), a principled CRL method with guaranteed last-iterate convergence. We demonstrate its empirical effectiveness on a wide variety of CRL problems including discrete MDPs and continuous control. In the process we establish a benchmark of challenging CRL problems.

Large language models systematically fail when a salient surface cue conflicts with an unstated feasibility constraint. We study this through a diagnose-measure-bridge-treat framework. Causal-behavioral analysis of the ``car wash problem'' across six models reveals approximately context-independent sigmoid heuristics: the distance cue exerts 8.7 to 38 times more influence than the goal, and token-level attribution shows patterns more consistent with keyword associations than compositional inference. The Heuristic Override Benchmark (HOB) -- 500 instances spanning 4 heuristic by 5 constraint families with minimal pairs and explicitness gradients -- demonstrates generality across 14 models: under strict evaluation (10/10 correct), no model exceeds 75%, and presence constraints are hardest (44%). A minimal hint (e.g., emphasizing the key object) recovers +15 pp on average, suggesting the failure lies in constraint inference rather than missing knowledge; 12/14 models perform worse when the constraint is removed (up to -39 pp), revealing conservative bias. Parametric probes confirm that the sigmoid pattern generalizes to cost, efficiency, and semantic-similarity heuristics; goal-decomposition prompting recovers +6 to 9 pp by forcing models to enumerate preconditions before answering. Together, these results characterize heuristic override as a systematic reasoning vulnerability and provide a benchmark for measuring progress toward resolving it.

Primal-dual safe RL methods commonly perform iterations between the primal update of the policy and the dual update of the Lagrange Multiplier. Such a training paradigm is highly susceptible to the error in cumulative cost estimation since this estimation serves as the key bond connecting the primal and dual update processes. We show that this problem causes significant underestimation of cost when using off-policy methods, leading to the failure to satisfy the safety constraint. To address this issue, we propose conservative policy optimization, which learns a policy in a constraint-satisfying area by considering the uncertainty in cost estimation. This improves constraint satisfaction but also potentially hinders reward maximization. We then introduce local policy convexification to help eliminate such suboptimality by gradually reducing the estimation uncertainty. We provide theoretical interpretations of the joint coupling effect of these two ingredients and further verify them by extensive experiments. Results on benchmark tasks show that our method not only achieves an asymptotic performance comparable to state-of-the-art on-policy methods while using much fewer samples, but also significantly reduces constraint violation during training. Our code is available at https://github.com/ZifanWu/CAL.

A major challenge in structured prediction is to represent the interdependencies within output structures. When outputs are structured as sequences, linear-chain conditional random fields (CRFs) are a widely used model class which can learn local dependencies in the output. However, the CRF's Markov assumption makes it impossible for CRFs to represent distributions with nonlocal dependencies, and standard CRFs are unable to respect nonlocal constraints of the data (such as global arity constraints on output labels). We present a generalization of CRFs that can enforce a broad class of constraints, including nonlocal ones, by specifying the space of possible output structures as a regular language L. The resulting regular-constrained CRF (RegCCRF) has the same formal properties as a standard CRF, but assigns zero probability to all label sequences not in L. Notably, RegCCRFs can incorporate their constraints during training, while related models only enforce constraints during decoding. We prove that constrained training is never worse than constrained decoding, and show empirically that it can be substantially better in practice. Additionally, we demonstrate a practical benefit on downstream tasks by incorporating a RegCCRF into a deep neural model for semantic role labeling, exceeding state-of-the-art results on a standard dataset.

The dominant approach to generating from language models subject to some constraint is locally constrained decoding (LCD), incrementally sampling tokens at each time step such that the constraint is never violated. Typically, this is achieved through token masking: looping over the vocabulary and excluding non-conforming tokens. There are two important problems with this approach. (i) Evaluating the constraint on every token can be prohibitively expensive -- LM vocabularies often exceed 100,000 tokens. (ii) LCD can distort the global distribution over strings, sampling tokens based only on local information, even if they lead down dead-end paths. This work introduces a new algorithm that addresses both these problems. First, to avoid evaluating a constraint on the full vocabulary at each step of generation, we propose an adaptive rejection sampling algorithm that typically requires orders of magnitude fewer constraint evaluations. Second, we show how this algorithm can be extended to produce low-variance, unbiased estimates of importance weights at a very small additional cost -- estimates that can be soundly used within previously proposed sequential Monte Carlo algorithms to correct for the myopic behavior of local constraint enforcement. Through extensive empirical evaluation in text-to-SQL, molecular synthesis, goal inference, pattern matching, and JSON domains, we show that our approach is superior to state-of-the-art baselines, supporting a broader class of constraints and improving both runtime and performance. Additional theoretical and empirical analyses show that our method's runtime efficiency is driven by its dynamic use of computation, scaling with the divergence between the unconstrained and constrained LM, and as a consequence, runtime improvements are greater for better models.

Offline reinforcement learning (RL) optimizes the policy on a previously collected dataset without any interactions with the environment, yet usually suffers from the distributional shift problem. To mitigate this issue, a typical solution is to impose a policy constraint on a policy improvement objective. However, existing methods generally adopt a ``one-size-fits-all'' practice, i.e., keeping only a single improvement-constraint balance for all the samples in a mini-batch or even the entire offline dataset. In this work, we argue that different samples should be treated with different policy constraint intensities. Based on this idea, a novel plug-in approach named Guided Offline RL (GORL) is proposed. GORL employs a guiding network, along with only a few expert demonstrations, to adaptively determine the relative importance of the policy improvement and policy constraint for every sample. We theoretically prove that the guidance provided by our method is rational and near-optimal. Extensive experiments on various environments suggest that GORL can be easily installed on most offline RL algorithms with statistically significant performance improvements.