Pareto Frontier

Retrieval-augmented LLM agents increasingly rely on curated skill banks: collections of reusable textual principles that guide decision making on complex tasks. Existing approaches typically expand these banks in an append-only fashion, continuously adding new skills without removing redundant, outdated, or harmful ones, resulting in inefficient and poorly curated repositories. In this paper, we formulate the skill bank curation as a constrained multi-objective problem: a desirable bank must be useful for the agent, diverse in its content, and provide good coverage of the query distribution. To this end, we introduce SkillBrew, a multi-objective curation framework that formalizes skill bank curation as Pareto-aware optimization under a utility constraint, and solves it via a bi-level propose-then-verify loop. We evaluate our approach on two public benchmarks. Our findings suggest that treating skill banks as objects of principled curation, rather than ever-growing append-only logs, is an important step toward building self-improving LLM agents.

Style transfer with pre-trained diffusion models has advanced rapidly, but a core question remains underexplored: where in the model should style injection be strongest? StyleID, the leading training-free method, uses a single global parameter (gamma) uniformly across all layers and timesteps, which forces a fixed tradeoff between style quality and content preservation. We show this tradeoff is unnecessarily rigid. We systematically explore four dimensions of control: varying style injection strength across decoder layers, across denoising timesteps, and scheduling ControlNet geometric conditioning along both axes. The pattern is consistent everywhere: decreasing schedules, with stronger structural signal injection in shallower layers and earlier timesteps, reliably outperform the reverse. Beyond direction, schedule shape matters: cosine and square-root timestep schedules outperform linear. Most importantly, we find that gamma scheduling and ControlNet conditioning are nearly independent. The resulting combined configurations expand the Pareto frontier, offering superior tradeoffs between style fidelity and content preservation compared to any single baseline setting. Our best balanced configuration achieves ArtFID of 27.036 versus StyleID's 28.801 - a 6.1% relative improvement, with consistent gains across the full style-content tradeoff frontier. Results are validated across 35 configurations totaling over 28,000 stylized images using four complementary metrics. These findings generalize across SD backbones with identical rank ordering. All modifications are training-free, parameter-free, and require only a few lines of scheduling code; code is available at https://github.com/ameyskulkarni/scheduled_style_injection.

The Mixture of Experts MoE architecture is highly promising for resource constrained on device deployments yet training these models from scratch incurs prohibitive costs Current methods attempt to alleviate this by upcycling dense models into MoEs however they often introduce parameter redundancy that degrades inference efficiency Alternatively standard layer pruning mitigates redundancy but inevitably compromises model accuracy To resolve this dilemma we propose Dense2MoE a novel framework that unifies pruning and upcycling through Layer Fusion UpCycling LF UC Guided by hardware Roofline theory Dense2MoE systematically overcomes the inference memory wall by pruning bandwidth heavy attention modules from redundant layers while repurposing their Multi Layer Perceptrons MLPs into MoE experts This structural innovation preserves the models core capabilities and strictly limits active parameters via selective token routing With a modest continual pre training budget Dense2MoE efficiently converts publicly available dense LLMs into on device ready MoE models Extensive experiments demonstrate that Dense2MoE significantly advances the Pareto frontier for on device inference latency versus model accuracy outperforming dense baselines state of the art compression and standard upcycling methods

Training multimodal large language models (MLLMs) is challenged by both model and data heterogeneity. Existing systems redesign the training pipeline to address these challenges, but remain bound by a Pareto frontier between compute and memory efficiency, improving one only at the expense of the other. We present BigMac, a new training pipeline for multimodal LLMs. The core idea of BigMac is to elegantly nest the encoder and generator computation into the original LLM pipeline, forming a dependency-safe nested pipeline structure. With this design, BigMac reduces the activation memory complexity of the encoder and generator to O(1) while keeping the activation memory complexity of the LLM unchanged. At the same time, it achieves the same computational efficiency as the idealized setting with unlimited memory. As a result, BigMac breaks the Pareto frontier between computational efficiency and memory usage, enabling simultaneous optimization of both computation and memory in MLLM training. We evaluate BigMac on multiple MLLMs and training workloads. Experimental results show that BigMac achieves a 1.08$\times$-1.9$\times$ training speedup over baseline systems while maintaining stable memory usage as batch size increases.

Finite-width fully connected neural networks with Gaussian-initialized weights deviate from their infinite-width Gaussian limit, exhibiting non-vanishing higher-order cumulants. We approximate these deviations, for a neural network evaluated in a finite number of inputs, using multidimensional Edgeworth expansions of arbitrary order $4m-1$, with $m\in\mathbb{N}$. Assuming that the corresponding Gaussian limit has an invertible covariance matrix and that the activation function is polynomially bounded, we establish a bound of order $n^{-m}$ on the total variation distance between the law of the true network output and its Edgeworth approximation, with matching lower bounds. As an application, we quantify the error in Bayesian posterior distributions when the prior is replaced by its Edgeworth expansion. Our results are more general and also apply to sequences of conditionally Gaussian vectors converging to a Gaussian vector with invertible covariance.

Mixture-of-Experts Large Language Models (MoE-LLMs) achieve strong performance but incur substantial memory overhead due to massive expert parameters. Mixed-precision quantization mitigates this cost by allocating expert-wise bit-widths based on their importance, approaching the accuracy-memory Pareto frontier and enabling extreme low-bit quantization. However, existing methods rely on layer-wise importance estimation and overlook router shifts induced by quantization, resulting in suboptimal allocation and routing. In this work, we propose Global Expert-level Mixed-precision Quantization (GEMQ) to overcome these limitations via (1) a global linear-programming formulation that captures model-wide expert importance based on quantization error analysis, and (2) efficient router fine-tuning to adapt routing to quantized experts. These components are integrated into a progressive quantization framework that iteratively refines importance estimation and allocation. Experiments demonstrate that GEMQ significantly reduces memory and accelerates inference with minimal accuracy degradation. Source code is available at https://github.com/jndeng/GEMQ .

Large language models (LLMs) increasingly rely on long-context processing, but expanding context windows introduces substantial computational and financial costs. Existing context reduction approaches, including retrieval and memory compression methods, are typically evaluated using performance and efficiency metrics independently, limiting systematic comparison and deployment-aware decision-making. This paper introduces The Efficiency Frontier, a unified framework for cost--performance optimization in LLM context management. The framework models context strategy selection as a deployment-aware optimization problem that jointly accounts for task performance, token cost, and preprocessing reuse through amortized cost modeling. Unlike existing evaluations that compare methods in isolation, the proposed framework enables decision-oriented analysis. It identifies when different context management strategies become preferable under varying operational conditions. Experiments on HotpotQA reveal distinct operational regimes and transition boundaries between retrieval-based and preprocessing-based strategies. Results show that deployment-aware optimization reduces effective token usage by approximately 25% at comparable performance, enabling more cost-efficient deployment of large language model systems, while amortized memory compression achieves over 50% lower token cost relative to full-context prompting in higher-performance settings. Overall, the proposed framework provides a principled and practical foundation for evaluating and deploying scalable, efficient, and sustainable LLM systems across enterprise, scientific, and public-sector applications.

The fundamental challenge of listening in multi-talker environments is a cognitive bottleneck, defined by the Ease of Language Understanding (ELU) model as a failure within the RAMPHO episodic buffer. Current deep neural networks for speech enhancement optimize purely for physical acoustics, failing to account for the cognitive penalty of informational masking. Here, we present an in silico simulation of the RAMPHO buffer using the frame-by-frame phonetic entropy of a self-supervised acoustic model (wav2vec 2.0). By contrasting a semantically intact distractor with a phase-decorrelated distractor (the Concentration Shield) across a signal-to-noise ratio (SNR) sweep, we successfully dissociate the cognitive penalty of informational distraction from the physical penalty of energetic decay. The simulation reveals a cognitive-acoustic Pareto optimization problem: destroying a distractor's semantic payload provides a release from informational masking at high SNRs, but fundamentally degrades temporal glimpsing cues at low SNRs.

We study fixed-cardinality maximization of the inverse-matrix Solow--Polasky diversity, equivalently finite metric magnitude for the exponential kernel, on one-dimensional and ordered metric sets. The analysis starts from the known finite-line gap formula for the exponential kernel, which writes the excess inverse-matrix diversity as a sum of functions of consecutive gaps. Building on this formula, the main interval theorem proves that, for every $k\geq 2$, the unique maximizing $k$-point subset of $[0,1]$ is the equally spaced set. Thus the objective selects a uniform gap representation on the real line. A converse kernel proposition shows that, among normalized non-increasing distance kernels, requiring the corresponding adjacent-gap additive structure forces the exponential family. Further results transfer the interval theorem to ordered $\ell_1$ (L1, or Manhattan) curves by isometry: the maximizing sets are uniform in accumulated $\ell_1$ length. As a consequence, monotone biobjective Pareto fronts admit Solow--Polasky optimal finite approximations that are uniformly spaced in accumulated objective-space change, a natural representation when all parts of a continuous front should be covered. Examples, including a dense connected front and a finite disconnected ZDT3 front, illustrate how the continuous uniform-gap result appears on discrete candidate sets. Solow-Polasky diversity; diversity measures; finite metric magnitude; L1 distance; uniform spacing; Pareto-front approximation; multiobjective optimization; fixed-cardinality subset selection

Modern LLM serving is no longer homogeneous or monolithic. Production systems now combine disaggregated execution, complex parallelism, runtime optimizations, and stateful workloads such as reasoning, agents, and RL rollouts. Simulation is attractive for exploring this growing design space, yet existing simulators lack the architectural completeness and decision-grade fidelity it demands. Their monolithic-replica abstractions are ill-suited to disaggregated serving, while average-case analytical proxies can distort SLA predictions and even reverse optimization conclusions. We present Frontier, a discrete-event simulator for modern LLM inference serving. Frontier features a disaggregated abstraction. It captures the structure and dynamics of modern serving systems by modeling co-location, Prefill-Decode Disaggregation (PDD), and Attention-FFN Disaggregation (AFD) with role-specific cluster workers, incorporating key runtime optimizations (e.g., CUDA Graphs, speculative decoding) within the scheduler-batch-engine loop, and supporting stateful requests for emerging workloads. It further provides accurate and generalizable predictions of computation, communication, and memory costs across diverse serving scenarios with complex workload compositions. On 16-H800 GPU testbed, Frontier achieves an average throughput error below 4%. Compared with state-of-the-art simulators, it reduces end-to-end latency error from 44.9% to 6.4% under co-location and from 51.7% to 2.6% under disaggregation. It scales to over 1K GPUs on commodity CPUs and enables new use cases such as SLA-dependent Pareto frontier exploration, heterogeneous disaggregated allocation, agentic reasoning scheduling validation, and RL post-training reconfiguration. We release Frontier at https://github.com/NetX-lab/Frontier.

Scalarization is widely used in multi-objective optimization owing to its simplicity and scalability. In many applications, the goal is to generate solutions that represent diverse user preferences, ideally with uniform coverage of the Pareto front (PF). However, uniformly sampling scalarization weights usually induces non-uniform coverage of the PF. We explain this mismatch through a geometric analysis of the scalarization path. As the scalarization weight varies, the corresponding solutions trace the PF with a generally non-uniform traversal speed. This speed induces an arc-length cumulative distribution function (CDF); inverting this CDF map yields a principled rule for selecting weights that produce uniform PF coverage. Building on this insight, we propose SURF (Sampling Uniformly along the PaReto Front). For structured problems, including bi-objective bandits, we derive closed-form expressions for this CDF map and the resulting PF-aware weight sampling rule. For general problems, SURF alternates between CDF reconstruction and weight sampling. Theoretically, we show that under provable conditions, SURF converges linearly to an unavoidable finite-sampling floor. Empirically, experiments on bandits, multi-objective-gymnasium, and multi-objective LLM alignment demonstrate that SURF efficiently achieves more uniform PF coverage than baselines.

We address the open problem of training hypernetworks for Controllable Pareto Front Learning (CPFL) under split feasibility conditions with rigorous theoretical guarantees. We reformulate the constrained Pareto problem as a Bi-Level Scalarized Split Problem (BSSP) and propose the Adaptive Balanced Penalty (ABP) algorithm, whose three gradient components -- optimality, set feasibility, and image feasibility -- are blended through an adaptive indicator driven by a computable lower bound. Using a novel convex surrogate technique, we prove full-sequence convergence under standard convexity and Robbins-Monro step-size assumptions. The ABP penalty structure is then translated into a two-phase, feasibility-first training strategy for Hyper-MLP and HyperTrans architectures (ABP-HyperNet). To evaluate constrained CPFL, we introduce the Expected Feasible Hypervolume (EFHV), which jointly captures solution quality and constraint satisfaction. Experiments on five multi-objective benchmarks validate the ABP solver against ground truth, while three multi-task learning datasets demonstrate that ABP-HyperNet achieves up to 2.3x higher EFHV than unconstrained baselines by raising feasibility from 36-49% to 87-100%.

Multi-party multi-objective optimization problems (MPMOPs) require consensus among autonomous decision makers and therefore differ from flattened many-objective formulations. Existing runtime theory for multi-objective evolutionary algorithms is largely tailored to single-party Pareto-front approximation and does not directly explain common-solution search in MPMOPs. We investigate cross-party recombination in two representative settings. On MP-JCG, a pseudo-Boolean benchmark with an explicit gap region, we prove that a payoff-guided mutation baseline faces a gap-crossing bottleneck requiring $Θ(n^2)$ expected fitness evaluations. In contrast, an analytical CPR-NSGA-II variant discovers both common Pareto-optimal solutions in $O(n\log n)$ expected evaluations by directly assembling complementary prefix and suffix templates distributed across party populations. Comparing this with the flattened four-objective formulation F-JCG, our full-front coverage analysis illustrates the additional coverage burden introduced by flattening. For BPBOMST, the bi-party, two-objective-per-party specialization of the multi-party multi-objective minimum spanning tree problem, we develop a layered support-cover analysis. For each common Pareto objective vector, the symmetric average projection induces an auxiliary bi-objective MST instance, and suitable support representatives yield a $2λ$-common approximation cover with $λ\in[1,2]$. We further derive an instance-parameterized expected runtime bound for a representative-pool CPR-NSGA-II variant using edge-union recombination and uniform repair. This bound separates the effects of local auxiliary-front filling, cross-party recombination shortcuts, and edge-union repair ambiguity.

Machine learning systems increasingly face requirements to forget not only individual data points, but entire domains of information, such as toxic language, copyrighted corpora, or demographic biases. This raises a fundamental dilemma of statistical-computational tradeoffs: removing all samples from an unwanted domain may be computationally prohibitive, while randomly removing a subset may not provide distribution-level statistical guarantees. We propose a statistical framework for distributional unlearning, in which domains are modeled as probability distributions, and the goal is to remove a carefully chosen subset of samples that reduces the effect of an unwanted distribution while preserving performance on a desired one. We formalize this using a hypothesis test of the edited data with the desired and unwanted domains, leading to an interpretable and robust criterion for selecting samples to remove. Within this statistical framework, we characterize the fundamental region of the allowable edited data distributions and the removal-preservation Pareto frontier for a broad class of distribution families. This includes parametric families such as shifted Gaussians of arbitrary dimension, a one-dimensional location family with log-concave noise, and the one-dimensional Poisson family. It also includes nonparametric families such as the Gaussian white noise model, a canonical model for nonparametric regression. We prove composition rules that describe how distributional unlearning behaves across multimodal unwanted domains, and introduce a central-limit behavior for the removal-preservation baselines when composing a large number of such families. Finally, we provide finite sample guarantees by providing Pareto frontiers for some selection algorithms, and observe an information-computation gap.

Diffusion large language models (dLLMs) generate text by iteratively denoising masked token sequences. Although dLLMs can predict all masked positions in parallel within each step, the large number of denoising iterations still makes inference expensive. This cost can be reduced spatially by unmasking multiple tokens per step, or temporally by collapsing multiple denoising steps into one verification call. We propose Parallel Speculative Decoding (PSD), a training-free framework that jointly improves inference along both axes. Using the confidence scores from a single forward pass, PSD selects positions to unmask via a configurable, adaptive unmasking policy and constructs multi-depth speculative drafts without extra model calls. A final batched verification pass then applies hierarchical acceptance, keeping the deepest draft that remains consistent with the updated predictions. Experiments on three dLLMs across reasoning and code generation tasks show that PSD achieves favorable trade-offs between inference efficiency and generation quality, reaching up to $5.5\times$ tokens per forward pass with accuracy comparable to greedy decoding.

Problems defined on binary decision spaces have been intensively studied in the theory of multi-objective evolutionary algorithms (MOEAs). In contrast, no mathematical runtime analyses exist so far for MOEAs dealing with decision variables that take a finite number $r > 2$ of values, despite the prevalence of such problems in practice. In this work, we begin to fill this research gap. We analyze how the classic SEMO algorithm with unit-strength local mutation computes the Pareto front of an $r$-valued counterpart of the classic \oneminmax benchmark. For the expected number of function evaluations until the Pareto front is covered by the population of this MOEA, we prove an upper bound of $O(n^2 r^2 \log n)$ and a near-tight lower bound of $Ω(n^2 r (r + \log n))$. We can close the small remaining gap between these two bounds by considering a variant of the algorithm that accepts only strictly better solutions; for this variant, we show an upper bound of $O(n^2 r (r + \log n))$, matching our lower bound (which also holds for this variant). Our results suggest that classic MOEAs encounter no significant additional difficulties when dealing with multi-valued decision variables. However, significantly more advanced tools may be required to obtain tight bounds for algorithms with more complex population dynamics.

A nonsmooth set-gradient ascent method is developed for moving finite approximation sets toward the Pareto front in multiobjective optimization. The method optimizes layered set indicators: a base indicator is evaluated on successive nondomination layers, and the layer values are combined with rapidly decreasing weights. This gives ascent directions to nondominated and dominated points while preventing deeper layers from compensating for deterioration of the first front. Two base indicators are treated: the hypervolume indicator and the magnitude indicator of the dominated set, whose expansion over coordinate projections contains extent, projected-area, and volume terms. The scalar objectives are nonsmooth because nondomination layers change combinatorially and the active orthogonal-union geometry changes piecewise. On fixed strata, where layer assignments and active geometry remain unchanged, the indicators are piecewise smooth and chamberwise continuous. For the magnitude indicator, an exact gradient formula is derived as a linear combination of hypervolume gradients of projected shadow sets. Thus, for fixed objective dimension, magnitude gradients have the same asymptotic time complexity as hypervolume gradients. Lexicographic layer aggregation is related to a unary infinitesimal encoding. For finite-$ε$ surrogates, the main nonsmoothness mechanisms are isolated and chamberwise Lipschitz continuity on bounded sets is proved; a two-point counterexample shows that hard-layer scalarization is not globally continuous across layer switches. The theory motivates a projected finite-difference implementation with repulsion and recovery from stagnation. Numerical examples and reproducible code cover two- and three-objective settings, including objective-space tests, curved fronts, a supersphere benchmark, and traces comparing layered magnitude and hypervolume ascent.

Text-to-image generation models have achieved remarkable progress in preference optimization, yet achieving robust alignment across diverse reward models remains a significant challenge. Existing multi-reward fusion approaches rely on weighted summation, which is costly to tune and insufficient for balancing conflicting objectives. More critically, optimization with reward models is highly susceptible to reward hacking, where reward scores increase while the perceived quality of generated images deteriorates. We demonstrate that optimizing against a unified global target under heterogeneous reward upper bounds can induce reward hacking, a risk further exacerbated by the inherent instability of weak reward models. To mitigate this, we propose a Pareto Frontier-Guided Optimal Transport (PG-OT) framework. Our method constructs a prompt-specific Pareto frontier and maps dominated samples toward it via distribution-aware optimal transport. Furthermore, we develop both online and offline optimization strategies tailored to diverse reward signal characteristics. To provide a more rigorous assessment, we introduce the Joint Domination Rate (JDR) and Joint Collapse Rate (JCR) as principled metrics to quantify multi-reward synergy and reward hacking. Experimental results show that our approach outperforms strong baselines with an 11% gain in JDR and achieves a near 80% win rate in human evaluations.

Generating feasible Pareto fronts for constrained bi-objective continuous optimization is central to multi-criteria decision-making. Existing methods usually rely on iterative scalarization, evolutionary search, or problem-specific solvers, requiring repeated optimization for each instance. We introduce DIPS, an end-to-end framework that fine-tunes large language models as amortized Pareto-front generators for constrained bi-objective convex optimization. Given a textual problem description, DIPS directly outputs an ordered set of feasible continuous decision vectors approximating the Pareto front. To make continuous optimization compatible with autoregressive language modeling, DIPS combines a compact discretization scheme, Numerically Grounded Token Initialization for new numerical tokens, and Three-Phase Curriculum Optimization, which progressively aligns structural validity, feasibility, and Pareto-front quality. Across five families of constrained bi-objective convex problems, a fine-tuned 7B-parameter model achieves normalized hypervolume ratios of 95.29% to 98.18% relative to reference fronts. With vLLM-accelerated inference, DIPS solves one instance in as little as 0.16 seconds and outperforms general-purpose and reasoning LLM baselines under the evaluated setting. These results suggest that LLMs can serve as effective amortized generators for continuous Pareto-front approximation.

As large language models (LLMs) move from centralized clouds to mobile edge environments, efficient serving must balance latency, energy consumption, and accuracy under constrained device-edge resources. Query-level routing between lightweight on-device models and stronger edge models provides a flexible mechanism to navigate this trade-off. However, existing routers are designed for centralized cloud settings and optimize token-level costs, failing to capture the dynamic latency and energy overheads in wireless edge deployments. In this paper, we formulate mobile edge LLM routing as a deployment-constrained, cost-aware decision problem, and propose CR^2, a two-stage device-edge routing framework. CR^2 decouples a lightweight on-device margin gate from an edge-side utility selector for deferred queries. The margin gate operates on frozen query embeddings and a user-specified cost weight to predict whether local execution is utility-optimal relative to the best edge alternative under the target operating point. We further introduce a conformal risk control (CRC) calibration procedure that maps each operating point to an acceptance threshold, enabling explicit control of the marginal false-acceptance risk under the full-information utility reference. Experiments on the routing task show that CR^2 closely matches a full-information reference router using only device-side signals before deferral. Compared with strong query-level baselines, CR^2 consistently improves the deployable accuracy-cost Pareto frontier and reduces normalized deployment cost by up to 16.9% at matched accuracy.

Power capping is the standard GPU energy lever in LLM serving, and it appears to work: throughput drops, power readings fall, and energy budgets are met. We show the appearance is illusory for the phase that dominates production serving: autoregressive decode. Across four attention paradigms -- GQA, MLA, Gated DeltaNet, and Mamba2 -- on NVIDIA H200, decode draws only 137--300,W on a 700,W GPU; no cap ever triggers, because memory-bound decode saturates HBM bandwidth rather than compute and leaves power headroom untouched. Firmware-initiated clock throttling compounds the illusion: these deviations can corrupt any throughput measurement that attributes them to the cap. SM clock locking dissolves both confounds. By targeting the lever that is actually on the critical path, clock locking Pareto-dominates power capping universally, recovering up to 32% of decode energy at minimal throughput loss. We identify three architecture-dependent DVFS behavioural classes and characterise a common energy pattern across novel attention replacements: a heavy prefill cost recouped by efficient decode, eventually halving total request energy relative to GQA at production batch sizes.

Designing fair algorithmic decision systems requires balancing model performance with fairness toward affected individuals: More fairness might require sacrificing some performance and vice versa, yet the space of possible trade-offs is still poorly understood. We investigate fairness in binary prediction-based decision problems by conceptualizing decision making as a multi-objective optimization problem that simultaneously considers decision-maker utility and group fairness. We investigate the set of Pareto-optimal decision rules for arbitrary utility functions for decision maker, arbitrary population distributions, and a wide range of group fairness metrics. We find that the Pareto frontier consists of deterministic, group-specific threshold rules applied to individuals' success probability. This complements existing optimality theorems from literature which, for specific fairness constraints, posit lower-bound threshold rules only. However we also show that, depending on the used fairness metric, the Pareto frontier may include upper-bound threshold rules, thus preferring individuals with lower success probabilities. We show that the location of the Pareto frontier depends only on population characteristics, utility functions and fairness score, but not on the technical design of the algorithm - our findings hold for pre-, in-, and post-processing approaches alike. Our results generalize existing optimality theorems for fairness-constrained classification and extend them to generalized fairness metrics and fairness principles, and to partial fairness regimes. This paper connects formal fairness research with legal and ethical requirements to search for less discriminatory alternatives, offering a principled foundation for evaluating and comparing algorithmic decision systems.

Causal sensitivity analysis aims to provide bounds for causal effect estimates in the presence of unobserved confounding. However, existing methods for causal sensitivity analysis are per-instance procedures, meaning that changes to the dataset, causal query, sensitivity level, or treatment require new computation. Here, we instead present an in-context learning approach. Specifically, we propose an amortized approach to causal sensitivity analysis based on prior-data fitted networks. A key challenge is that the sensitivity bounds are not directly available when sampling training data. To address this, we develop a general prior-data construction that is applicable across the class of generalized treatment sensitivity models. Our construction involves a Lagrangian scalarization of the objective to generate training labels for the bounds through a tradeoff between causal effect min/max-imization and sensitivity model violation, which avoids model-specific analytical derivations. We further show that, under standard convexity and linearity conditions, our objective recovers the full Pareto frontier of solutions. Empirically, we demonstrate our amortized approach across various datasets, causal queries, and sensitivity levels, where our approach achieves a test-time computation that is orders of magnitude faster than per-instance methods. To the best of our knowledge, ours is the first foundation model for in-context learning for causal sensitivity analysis.

Preference-conditioned multi-objective reinforcement learning aims to learn a single policy that captures trade-offs across preferences, but under nonlinear scalarization the uniqueness and continuity of the preference-to-solution correspondence remain unclear. We study this problem in tabular multi-objective Markov decision processes (MDPs) using smooth Tchebycheff scalarization as a monotone utility. Under mild interior conditions on the preference set, we prove that each preference induces a unique Pareto-optimal return vector and that this vector depends Lipschitz-continuously on the preference, providing a principled foundation for preference sweeping toward dense Pareto-front coverage. To compute these targets, we formulate the problem over occupancy measures and derive Concave Mirror Descent Policy Iteration (CMDPI), which achieves an $O(1/k)$ objective-suboptimality rate. We further show that each update is equivalent to solving a Kullback-Leibler-regularized MDP with the previous policy as reference, yielding a policy-iteration interpretation and finite-iterate policy continuity across preferences. We instantiate the update as a deep actor-critic algorithm preserving previous-policy regularization. On eight MO-Gymnasium tasks, it achieves the best average hypervolume rank among recent baselines and strong expected-utility performance. Continuous-control experiments indicate gains beyond the discrete-action setting.

Current computer-aided synthesis planning (CASP) methods often treat retrosynthesis as solved once a single feasible route is identified, focusing primarily on convergence or shortest-path metrics. This view is misaligned with real-world practice, where chemists must balance competing objectives such as cost, sustainability, toxicity, and overall yield. To address this, we formulate synthesis planning as a multi-objective search problem and introduce MORetro*, an algorithm that generates a Pareto front of synthesis routes to explicitly capture trade-offs among user-defined criteria. MORetro* uses weighted scalarization and BO-informed sampling to efficiently navigate the combinatorial search space and prioritize promising trade-offs. Building on multi-objective A*-search, we provide optimality guarantees showing that, for a fixed single-step model, MORetro* recovers the true Pareto front under admissibility. Across multiple retrosynthesis benchmarks, MORetro* produces diverse, high-quality Pareto fronts, uncovering solutions overlooked by single-objective approaches and better aligning CASP outputs with industrial decision-making.

Large-scale recommenders encode multi-objective trade-offs by combining multiple predicted outcomes into a single utility score. Although this utility layer can be updated independently of the ranker, weight tuning remains largely manual, globally applied, slow to adapt to changing environments and business needs, and hard to govern as priorities shift. We propose PRL-PUTS, a Production-ready, ranker independent RL framework for Personalized Utility-weight Tuning with Pareto Sweeping. We cast utility tuning as a one-step, value-based RL problem: given request context, an agent selects a utility-weight vector that re-weights ranker predictions to maximize request-level engagement rewards. To visualize performance across the trade-off spectrum and allow decision makers to update the deployed operating policy instantly, we adopt an inference-time Pareto frontier sweeping via a scalarization parameter, producing a family of policies and an empirical Pareto frontier used as a governance artifact for operating policy selection. PRL-PUTS runs in parallel with ranking inference without adding serving latency. We validate PRL-PUTS with offline analysis using unbiased exploration logs and online experiments on Pinterest Homefeed where PRL-PUTS showed significant increases in engagement compared to baseline such as +0.13% increase in successful session, a core metric for user engagement.

Language model (LM) alignment improves model outputs to reflect human preferences while preserving the capabilities of the base model. The most common alignment approaches are (i) reinforcement learning, which maximizes the expected reward under a KL-divergence constraint, and (ii) best-of-$N$ alignment, which selects the highest-reward output among $N$ independent samples. Despite their widespread use, the fundamental limits of reward improvement under a KL budget remain poorly understood. We characterize the information-theoretic limits of KL-regularized alignment by deriving the maximum achievable expected reward gain for a fixed KL-divergence budget. Our first result provides a closed-form expression for the optimal reward improvement, governed by a Jeffreys divergence term rather than the $\sqrt{\texttt{KL}}$ used in prior analyses. We further reformulate this expression as a covariance under the base model, yielding a practical estimator that predicts achievable alignment gains from base model samples alone. We extend our analysis to the proxy reward setting, showing that the gap between ideal and proxy alignment (reward hacking) grows with the magnitude of reward error and when the KL penalty factor decreases. We then prove that reward ensembling mitigates reward hacking, providing a theoretical justification for this technique used in practice. Empirically, we compute the KL-reward Pareto frontier for two tasks for LMs, safety and summarization, and show that best-of-$N$ closely approaches the theoretical limit, while PPO and GRPO remain substantially suboptimal. Our theoretical results shed light on several empirically observed phenomena in the alignment literature and suggest that algorithmic improvements are needed to achieve optimal alignment without high inference costs.

We study multi-objective multi-agent multi-armed bandits (MO-MA-MAB) under stochastic rewards, where agents observe heterogeneous reward vectors and communicate over time-varying graphs. We formulate this emerging problem setting to address \emph{efficient learning}, measured by Pareto regret, and incorporate \emph{fair learning} as an additional goal, captured via social welfare. To measure efficiency, we formulate Pareto regret and develop \textsc{Pareto UCB1 Gossip}, whose novel exploration radius explicitly separates statistical uncertainty in Pareto-based inference from consensus error. To express the fairness constraint, we formulate a Nash Social Welfare objective over preference-scalarized rewards and propose \textsc{Simulated NSW UCB Gossip}, which integrates preference-based reward simulation, gossip-based utility estimation, and UCB-style exploration. We prove that \textsc{Pareto UCB1 Gossip} achieves $\mathcal{O}(\log T)$ regret and an instance-independent rate of $\mathcal{O}(\sqrt{T})$, while \textsc{Simulated NSW UCB Gossip} achieves an instance-independent regret bound of $\mathcal{O}(T^{3/4})$. This separation reveals the cost of imposing the fairness constraint to our efficiency objective: fairness limits information aggregation and slows convergence. Experiments show that our methods consistently outperform baselines, improving performance by approximately $100\%$ and $50\%$ in the efficiency and fairness settings, respectively.

There is currently no unified metric for evaluating the efficiency of quantized neural networks. We propose QuIDE, built around the Intelligence Index I = (C x P)/log_2(T+1), which collapses the compression-accuracy-latency trade-off into a single score. Experiments across six settings -- SimpleCNN (MNIST, CIFAR), ResNet-18 (ImageNet-1K), and Llama-3-8B -- show a task-dependent Pareto Knee. 4-bit quantization is optimal for MNIST and large LLMs, while 8-bit is the sweet spot for complex CNN tasks (ResNet-18 on ImageNet), where 4-bit PTQ collapses accuracy catastrophically. The accuracy-gated variant I' correctly flags these non-viable configurations that the raw I would reward. QuIDE provides a reproducible evaluation protocol and a ready-to-use fitness function for mixed-precision search.

Approval-based committee voting has received significant attention in the social choice community. Among the studied rules, Thiele rules, and especially Proportional Approval Voting (PAV), stand out for desirable properties such as proportional representation, Pareto optimality, and support monotonicity. Their main drawback is that computing a Thiele outcome is NP-hard in general. A glimpse of hope comes from the fact that Thiele rules are better behaved under structured preferences. On the candidate interval (CI) domain, they are computable in polynomial time via a linear program (LP) that has a totally unimodular constraint matrix. Surprisingly, this approach fails for the related voter interval (VI) domain, and the complexity of the problem has repeatedly been posed as an open question. Our main result resolves this question: although the relevant matrix is not totally unimodular, the ``standard'' LP still admits at least one optimal integral solution, and we provide a fast algorithm for finding it. Our technique naturally extends to the voter-candidate interval (VCI) domain, also known as the 1-dimensional voter-candidate range (1D-VCR) domain, and to the linearly consistent (LC) domain, both of which generalize the candidate and voter interval domains. Although both the VCI and LC domains have been studied in social choice, their relationship was unknown. We show, through connections to graph theory, that LC strictly contains VCI. We also provide an alternative definition of LC that is closer in spirit to VCI and has a natural interpretation in approval elections; this equivalence may be of independent interest. Finally, we study an alternative tree-based generalization of VCI and show that Thiele rules become NP-hard to compute on this domain.

Pareto set learning (PSL) is an emerging paradigm in multi-objective optimization that trains neural networks to map preference vectors to Pareto optimal solutions. However, existing PSL methods primarily focus on solving a single multi-objective optimization problem at a time. This limitation not only increases computational costs in multi-objective multitask optimization scenarios by requiring a separate model for each task, but also fails to exploit the inter-task correlations across tasks. To address this, we propose a Cross-tAsk correlation-aware Pareto Set Learning (CoAction) framework, which leverages task-aware transformer to handle multiple tasks simultaneously. Specifically, by assigning task-specific embedding vectors to individual tasks, the model effectively distinguishes between tasks while facilitating knowledge sharing among them. We utilize a Transformer encoder as the backbone architecture to leverage its self-attention mechanism for capturing complex task dependencies. The proposed approach is evaluated on comprehensive multitask test suites covering both benchmark problems and real-world applications, demonstrating effectiveness and competitive performance in Hypervolume, Range, and Sparsity.

Most familiar equilibrium concepts, such as Nash and correlated equilibrium, guarantee only that no single player can improve their utility by deviating unilaterally. They offer no guarantees against profitable coordinated deviations by coalitions. Although the literature proposes solution concepts that provide stability against multilateral deviations (\emph{e.g.}, strong Nash and coalition-proof equilibrium), these generally fail to exist. In this paper, we study an alternative solution concept that minimizes coalitional deviation incentives, rather than requiring them to vanish, and is therefore guaranteed to exist. Specifically, we focus on minimizing the average gain of a deviating coalition, and extend the framework to weighted-average and maximum-within-coalition gains. In contrast, the minimum-gain analogue is shown to be computationally intractable. For the average-gain and maximum-gain objectives, we prove a lower bound on the complexity of computing such an equilibrium and present an algorithm that matches this bound. Finally, we use our framework to solve the \emph{Exploitability Welfare Frontier} (EWF), the maximum attainable social welfare subject to a given exploitability (the maximum gain over all unilateral deviations).

Test-time scaling (TTS) has emerged as a powerful paradigm for improving the reasoning performance of large language models (LLMs) by investing additional compute at inference time. A central component of TTS is the \emph{verifier}, which selects or scores candidate solutions to guide the search process. While prior work has explored the benefit of verification, a fundamental question remains underexplored: \emph{what is the optimal granularity of verification under a given compute budget?} Coarse-grained outcome reward models (ORMs) and fine-grained process reward models (PRMs) represent two extremes, yet neither alone achieves compute-optimality across all regimes. In this paper, we establish a unified theoretical framework, called \textbf{GRACE} (\underline{G}ranularity-\underline{R}egulated \underline{A}daptive \underline{C}omputational \underline{E}fficiency), that characterizes the optimal verification granularity as an explicit function of problem difficulty, verifier accuracy, and compute budget. We prove that there exists a phase transition: fine-grained verification dominates when either the compute budget is large or the problem is hard, whereas coarse-grained verification is preferred in the low-budget, easy-problem regime. Our theory unifies Best-of-$N$, beam search, and step-level MCTS within a single Pareto-optimality framework, and motivates an adaptive granularity strategy that provably achieves the compute-performance Pareto frontier. Empirical results on MATH-500, GSM8K, and AIME benchmarks corroborate all four theoretical claims, with our adaptive strategy outperforming fixed-granularity baselines by up to 3.1% accuracy at matched compute.

The First Fundamental Theorem of Welfare Economics assumes that welfare-bearing agents are autonomous and implicitly relies on a binary distinction between autonomy and instrumentality. Welfare subjects are those who have autonomy and therefore the capacity to choose and enter into utility comparisons, while everything else does not. In post-AGI economies this presupposition becomes nontrivial because artificial systems may exhibit varying degrees of autonomy, functioning as tools, delegates, strategic market actors, manipulators of choice environments, or possible welfare subjects. We argue that the theorem ought to be subject to an autonomy qualification where the impact of these changes in autonomy assumptions is incorporated. Using a minimal general-equilibrium model with autonomy-conditioned welfare, welfare-status assignment, delegation accounting, and verification institutions, we set out conditions for which autonomy-complete competitive equilibrium is autonomy-Pareto efficient. The classical theorem is recovered as the low-autonomy limit.

Mixture-of-Experts (MoE) has become the dominant architecture for scaling large language models: frontier models routinely decouple total parameters from per-token computation through sparse expert routing. Scaling laws show that under fixed active computation, model quality scales predictably with total parameters, and MoEs realize this by increasing expert count. However, training large MoEs is expensive, as memory requirements and inter-device communication both scale with total parameter count. We propose expert upcycling, a method for progressively expanding MoE capacity by increasing the number of experts during continued pre-training (CPT). Given a trained E-expert model, the upcycling operator constructs an mE-expert model through expert duplication and router extension while holding top-K routing fixed, preserving per-token inference cost. Duplication provides a warm initialization: the expanded model inherits the source checkpoint's learned representations, starting from a substantially lower loss than random initialization. Subsequent CPT then breaks the symmetry among duplicated experts to drive specialization. We formalize the upcycling operator and develop a theoretical framework decomposing the quality gap into a capacity term and an initialization term. We further introduce utility-based expert selection, which uses gradient-based importance scores to guide non-uniform duplication, more than tripling gap closure when CPT is limited. In our 7B-13B total parameter experiments, the upcycled model matches the fixed-size baseline on validation loss while saving 32% of GPU hours. Comprehensive ablations across model scales, activation ratios, MoE architectures, and training budgets yield a practical recipe for deploying expert upcycling, establishing it as a principled, compute-efficient alternative to training large MoE models from scratch.

We investigate \emph{magnitude} as a new unary and strictly Pareto-compliant quality indicator for finite approximation sets to the Pareto front in multiobjective optimization. Magnitude originates in enriched category theory and metric geometry, where it is a notion of size or point content for compact metric spaces and a generalization of cardinality. For dominated regions in the $\ell_1$ box setting, magnitude is close to hypervolume but not identical: it contains the top-dimensional hypervolume term together with positive lower-dimensional projection and boundary contributions. This paper gives a first theoretical study of magnitude as an indicator. We consider multiobjective maximization with a common anchor point. For dominated sets generated by finite approximation sets, we derive an all-dimensional projection formula, prove weak and strict set monotonicity on finite unions of anchored boxes, and thereby obtain weak and strict Pareto compliance. Unlike hypervolume, magnitude assigns positive value to boundary points sharing one or more coordinates with the anchor point, even when their top-dimensional hypervolume contribution vanishes. We then formulate projected set-gradient methods and compare hypervolume and magnitude on biobjective and three-dimensional simplex examples. Numerically, magnitude favors boundary-including populations and, for suitable cardinalities, complete Das--Dennis grids, whereas hypervolume prefers more interior-filling configurations. Computationally, magnitude reduces to hypervolume on coordinate projections; for fixed dimension this yields the same asymptotic complexity up to a factor $2^d-1$, and in dimensions two and three $Θ(n\log n)$ time. These results identify magnitude as a mathematically natural and computationally viable alternative to hypervolume for finite Pareto front approximations.

Large language models (LLMs) sometimes memorize undesirable knowledge, which must be removed after deployment. Prior work on machine unlearning has focused largely on optimization methods that adjust parameters to enforce forgetting while preserving retention. However, these approaches assume that the forget and retain sets are readily available, which rarely holds in practice. Unlearning is typically triggered by an undesired generation at inference time, making the retrieval of relevant data the central challenge. We introduce the notion of data Pareto improvement for LLM unlearning, which formalizes how retrieval can expand the achievable trade-off frontier between forgetting and retention. To realize this principle, we propose Randomized Antipodal Search on Linearized Influence Kernel (RASLIK), a retrieval algorithm that combines permutation-projection hashing with randomized antipodal search. RASLIK reduces selection variance, achieves sublinear complexity, and yields a double gain in both quality and efficiency. Across multiple models, datasets, and unlearning algorithms, RASLIK consistently outperforms deterministic baselines and even oracle sampling, establishing randomized search as a principled and scalable solution for data-centric unlearning.

Visual token pruning methods effectively mitigate the quadratic computational growth caused by processing high-resolution images and video frames in vision-language models (VLMs). However, existing approaches rely on predefined pruning configurations without determining whether they achieve computation-performance optimality. In this work, we introduce , a novel framework that formulates visual token pruning as a Pareto configuration optimization problem to automatically identify optimal configurations. Our approach employs continuous relaxation and straight-through estimators to enable gradient-based search, solved via the Augmented Lagrangian method. Extensive experiments across 8 visual benchmarks demonstrate that effectively approximates the empirical Pareto frontier obtained through grid search and generalizes well across various pruning methods and VLM architectures. Furthermore, through learnable kernel functions, we investigate layer-wise pruning patterns and reveal that multi-step progressive pruning captures VLMs' hierarchical compression structure, achieving superior accuracy-efficiency trade-offs compared to single-layer approaches.

Pareto optimization via evolutionary multi-objective algorithms has been shown to efficiently solve constrained monotone submodular functions. Traditionally when solving multiple problems, the algorithm is run for each problem separately. We introduce multitasking formulations of these problems that are an effective way to solve multiple related problems with a single run. In our setting the given problems share a monotone submodular function $f$ but have different knapsack constraints. We examine the case where elements within a constraint have the same cost and show that our multitasking formulations result in small Pareto fronts. This allows the population to share solutions between all problems leading to significant improvements compared to running several classical approaches independently. Using rigorous runtime analysis, we analyze the expected time until the introduced multitasking approaches obtain a $(1-1/e)$-approximation for each of the given problems. Our experimental investigations for the maximum coverage problem give further insight into the dynamics behind how the approach works and doesn't work in practice for problems where elements within a constraint also have varied costs.

Proactive large language model (LLM) agents aim to actively plan, query, and interact over multiple turns, enabling efficient task completion beyond passive instruction following and making them essential for real-world, user-centric applications. Agentic reinforcement learning (RL) has recently emerged as a promising solution for training such agents in multi-turn settings, allowing them to learn long-horizon decision-making strategies. However, existing pipelines face a critical challenge in balancing task performance with user engagement, as passive agents cannot efficiently adapt to users' intentions while overuse of human feedback increases the burden on users, which forms a Pareto Frontier between these two objectives. To push forward this frontier, we propose Behavior Agentic Optimization (BAO), an agentic RL framework that enhances and regularizes inter-turn behaviors to improve information-gathering capabilities and suppress inefficient or redundant interactions with users. We evaluate BAO on multiple tasks from the UserRL benchmark suite and demonstrate that it substantially outperforms proactive agentic RL baselines in terms of both higher task performance and lower user efforts, while achieving comparable or even superior performance to commercial LLM agents, highlighting its effectiveness for training proactive, user-centric LLM agents in complex multi-turn scenarios. Our website: https://proactive-agentic-rl.github.io/.

We study the Pareto frontier (optimal trade-off) between utility and separation, a fairness criterion requiring predictive independence from sensitive attributes conditional on the true outcome. Through an information-theoretic lens, we prove a characterization of the utility-separation Pareto frontier, establish its concavity, and thereby prove the increasing marginal cost of separation in terms of utility. In addition, we characterize the conditions under which this trade-off becomes strict, providing a guide for trade-off selection in practice. Based on the theoretical characterization, we develop an empirical regularizer based on conditional mutual information (CMI) between predictions and sensitive attributes given the true outcome. The CMI regularizer is compatible with any deep model trained via gradient-based optimization and serves as a scalar monitor of residual separation violations, offering tractable guarantees during training. Finally, numerical experiments support our theoretical findings: across COMPAS, UCI Adult, UCI Bank, and CelebA, the proposed method substantially reduces separation violations while matching or exceeding the utility of established baseline methods. This study thus offers a provable, stable, and flexible approach to enforcing separation in deep learning.

Real-world constrained multi-objective optimization problems (CMOPs) commonly involve multiple constraints, and understanding and exploiting their coupling relationships is crucial for efficient optimization. Recent constraint-decoupling methods handle individual constraints separately, but they generally search only in the evolutionary direction to approximate single-constraint Pareto fronts (SCPFs). In this study, we show that part or all of the constrained Pareto front (CPF) may be unrelated to any SCPF and instead be shaped by the boundaries of infeasible regions. We refer to such a portion as the independent CPF (ICPF) and introduce the reverse CPF (RCPF) to characterize its associated informative infeasible boundaries. Based on these observations, we propose a bidirectional constraint-decoupling coevolutionary algorithm named DCF2D. DCF2D dynamically identifies the constraints obstructing the main population and activates constraint-specific auxiliary populations. These populations adaptively search in the evolutionary direction for the corresponding SCPFs or in the reverse evolutionary direction for the corresponding RCPFs. Its three-stage framework integrates unconstrained global exploration, event-driven bidirectional coevolution, and final convergence refinement. Experiments on 87 benchmark instances from seven test suites and 28 real-world engineering CMOPs demonstrate that DCF2D achieves the best overall performance among nine algorithms. Code available at: https://github.com/RuiqingS/DCF2D.

LLM services need to offer a family of models spanning different capability--cost trade-offs to accommodate diverse user preferences. Model merging offers a practical way to construct such a model family by combining a reasoning-enhanced model with an instruction-tuned model. Compared with model-level merging, layer-wise merging offers finer control over the capability--cost trade-off by assigning different merge weights to individual layers. However, it introduces two practical challenges: the layer-wise search space is high-dimensional, and existing methods rarely exploit informative signals from the source models; moreover, the highly variable runtime of LLM evaluations makes synchronous batch optimization inefficient by leaving GPU resources idle while waiting for slow evaluations. To address these challenges, we propose Asynchronous Prior-Guided Bayesian Model Merging (AP-BMM), which formulates layer-wise merging as a multi-objective optimization problem to approximate a Pareto set of merged LLMs, yielding a family of Pareto-optimal merged models with diverse capability--cost trade-offs. AP-BMM leverages parameter and activation discrepancies between the source models to guide the early layer-wise search, employs asynchronous pending-aware Bayesian optimization to maximize GPU utilization through asynchronous evaluations and to select high-quality candidates via pending awareness, and applies lightweight ranking over an oversized candidate pool to improve Pareto-front coverage. Under fixed evaluation budgets, AP-BMM achieves higher hypervolume (HV) and broader Pareto-front coverage than synchronous layer-wise and representative model-level merging methods, while reducing wall-clock time through higher GPU utilization.

The "alignment tax" of post-training is typically framed as a drop in task accuracy. We show it also involves a severe loss of calibration, making models overconfident, less reliable, and model outputs less diverse. We show that this trade-off can be navigated effectively via a simple post-hoc intervention: interpolating between a model's weights before and after alignment. Crucially, this is not a strict trade-off. We find that the process consistently reveals Pareto-optimal interpolations - models that improve accuracy beyond both parents while substantially recovering the calibration lost during alignment. Our work demonstrates that simple model merging provides a computationally efficient method for mitigating the full scope of the alignment tax, yielding models that are more capable and more reliable.

Distilling reasoning traces from strong teacher models has become the standard recipe for building capable small language models. Yet reasoning traces are 5-20$\times$ longer than standard instruction fine-tuning (IFT) outputs, meaning every practitioner who chooses reasoning distillation implicitly forgoes training a larger IFT model on the same compute budget. Whether this trade-off is worthwhile remains unaddressed. We study it with a controlled experiment: a single teacher generates paired IFT and reasoning outputs for identical prompts by toggling only its reasoning mode, isolating supervision format as the sole variable. Training students at five scales (0.5B to 14B) and evaluating on 18 benchmarks, we find that at matched FLOPs, IFT lies on or near the Pareto frontier across the majority of configurations. Reasoning reaches the Pareto frontier only on open-ended tasks at 7B and above. Even there, a sequential curriculum mixing just 25-50% reasoning data with IFT captures most of the accuracy benefit at far lower compute cost.

High-stakes decision-making involves navigating multiple competing objectives with expensive evaluations. For instance, in brachytherapy, clinicians must balance maximizing tumor coverage (e.g., an aspirational target or soft bound of >95% coverage) against strict organ dose limits (e.g., a non-negotiable hard bound of <601cGy to the bladder). Selecting Pareto-optimal solutions that match implicit preferences is challenging, as exhaustive Pareto frontier exploration is computationally and cognitively prohibitive, necessitating interactive frameworks to guide users. While decision-makers (DMs) often possess domain knowledge to narrow the search via such soft-hard bounds, current methods often lack systematic approaches to iteratively refine these multi-faceted preference structures. Furthermore, DMs often require confidence that they have not overlooked superior alternatives, a paramount necessity in high-stakes scenarios. We present Active-MoSH, an interactive local-global framework designed for this process. Its local component integrates probabilistic preference learning with an active sampling strategy to adaptively refine Pareto subsets while minimizing cognitive burden. To bolster decision confidence, Active-MoSH's global component, C-MoSH, leverages multi-objective sensitivity analysis to identify potentially overlooked, high-value points beyond immediate feedback. We demonstrate Active-MoSH's performance benefits through diverse synthetic and real-world applications. A high-stakes case study with real cervical cancer brachytherapy treatment plans and an image selection user study further validate our hypotheses regarding the framework's ability to improve convergence, enhance DM confidence, and provide expressive preference articulation.

Autonomous exploration of cluttered environments requires efficient exploration strategies that guarantee safety against potential collisions with unknown random obstacles. This paper presents a novel approach combining a graph neural network-based exploration greedy policy with a safety shield to ensure safe navigation goal selection. The network is trained using reinforcement learning and the proximal policy optimization algorithm to maximize exploration efficiency while reducing the safety shield interventions. However, if the policy selects an infeasible action, the safety shield intervenes to choose the best feasible alternative, ensuring system consistency. Moreover, this paper proposes a reward function that includes a potential field based on the agent's proximity to unexplored regions and the expected information gain from reaching them. Overall, the approach investigated in this paper merges the benefits of the adaptability of reinforcement learning-driven exploration policies and the guarantee ensured by explicit safety mechanisms. Extensive evaluations in simulated environments demonstrate that the approach enables efficient and safe exploration in cluttered environments.

In recent years, explainability in machine learning has gained importance. In this context, counterfactual explanation (CE), which is an explanation method that uses examples, has attracted attention. However, it has been pointed out that CE is not robust when there are multiple machine-learning models with similar accuracy. These problems are important when using machine learning to make safe decisions. In this paper, we propose robust CEs that introduce a new viewpoint -- Pareto improvement -- and a method that uses multi-objective optimization to generate it. To evaluate the proposed method, we conducted experiments using both simulated and real data. The results demonstrate that the proposed method is both robust and practical. This study highlights the potential of ensuring robustness in decision-making by applying the concept of social welfare. We believe that this research can serve as a valuable foundation for various fields, including explainability in machine learning, decision-making, and action planning based on machine learning.

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the properties of the structures represented in the training distribution. We find that this limitation arises not only from the molecule generation process itself, but also from the poor generalization capabilities of molecular property predictors. We address this challenge by creating a closed-loop molecule generation pipeline with iterative retraining on new quantum chemical simulation data. Compared against static, single-pass generative modeling approaches, only our closed-loop iterative workflow generates molecules with properties extending beyond the training distribution (up to 0.44 standard deviations beyond the original range) and achieves a 79% improvement in out-of-distribution molecule classification accuracy. Furthermore, by conditioning molecular generation on thermodynamic stability data obtained during the iterative loop, the proportion of stable and hence potentially synthesizable molecules generated is 3.5x higher than the next-best model.

Pareto fronts are useful to find good task-mixing strategies for multitask finetuning, but they are also costly to compute. To reduce costs, recent works have used existing model merging methods to help train cheap surrogate models to estimate the Pareto fronts. However, no work has yet considered designing new model-merging methods to directly, and provably, improve the quality of Pareto fronts. Here, we fill this gap by proposing a new Bayesian approach called Variational Model Merging. In this approach, existing model-merging methods are obtained as special cases of "posterior-merging" when Gaussian posteriors are used and new model-merging strategies can be derived by using non-Gaussian posteriors. Our main theoretical result is to show that more flexible posteriors necessarily yield better estimates of Pareto fronts. For instance, a Pareto front estimate obtained by merging full-Gaussian posteriors is expected to be better than that obtained by using isotropic Gaussian posteriors. We validate the theory through extensive empirical results on vision and language transformers where better Gaussian families consistently yields better or comparable Pareto fronts. Our work is a rare instance where Bayesian ideas are used to improve Pareto analysis.