Inference-Time Optimization

Large language models (LLMs) achieve remarkable performance, yet further gains often require costly training. This has motivated growing interest in post-training techniques-especially training-free approaches that improve models at inference time without updating weights. Most training-free methods treat the model as a black box and improve outputs via input/output-level interventions, such as prompt design and test-time scaling through repeated sampling, reranking/verification, or search. In contrast, they rarely offer a plug-and-play mechanism to intervene in a model's internal computation. We propose ARACH(Attention Reallocation via an Adaptive Context Hub), a training-free inference-time plug-in that augments LLMs with an adaptive context hub to aggregate context and reallocate attention. Extensive experiments across multiple language modeling tasks show consistent improvements with modest inference overhead and no parameter updates. Attention analyses further suggest that ARACH mitigates the attention sink phenomenon. These results indicate that engineering a model's internal computation offers a distinct inference-time strategy, fundamentally different from both prompt-based test-time methods and training-based post-training approaches.

Due to their efficiency and small size, decision trees and random forests are popular machine learning models used for classification on resource-constrained systems. In such systems, the available execution time for inference in a random forest might not be sufficient for a complete model execution. Ideally, the already gained prediction confidence should be retained. An anytime algorithm is designed to be able to be aborted anytime, while giving a result with an increasing quality over time. Previous approaches have realized random forests as anytime algorithms on the granularity of trees, stopping after some but not all trees of a forest have been executed. However, due to the way decision trees subdivide the sample space in every step, an increase in prediction quality is achieved with every additional step in one tree. In this paper, we realize decision trees and random forest as anytime algorithms on the granularity of single steps in trees. This approach opens a design space to define the step order in a forest, which has the potential to optimize the mean accuracy. We propose the Optimal Order, which finds a step order with a maximal mean accuracy in exponential runtime and the polynomial runtime heuristics Forward Squirrel Order and Backward Squirrel Order, which greedily maximize the accuracy for each additional step taken down and up the trees, respectively. Our evaluation shows, that the Backward Squirrel Order performs $\sim94\%$ as well as the Optimal Order and $\sim99\%$ as well as all other step orders.

Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data. Recent experiment-guided generators attempt to address this by steering the reverse diffusion process. However, these methods are limited by fixed sampling horizons and sensitivity to initialization, often yielding thermodynamically implausible results. We introduce a general inference-time optimization framework to solve these challenges. First, we optimize over latent representations to maximize ensemble log-likelihood, rather than perturbing structures post hoc. This approach eliminates dependence on diffusion length, removes initialization bias, and easily incorporates external constraints. Second, we present novel sampling schemes for drawing Boltzmann-weighted ensembles. By combining structural priors from AlphaFold3 with force-field-based priors, we sample from their product distribution while balancing experimental likelihoods. Our results show that this framework consistently outperforms state-of-the-art guidance, improving diversity, physical energy, and agreement with data in X-ray crystallography and NMR, often fitting the experimental data better than deposited PDB structures. Finally, inference-time optimization experiments maximizing ipTM scores reveal that perturbing AlphaFold3 embeddings can artificially inflate model confidence. This exposes a vulnerability in current design metrics, whose mitigation could offer a pathway to reduce false discovery rates in binder engineering.

An artificial intelligence (AI) model can be viewed as a function that maps inputs to outputs in high-dimensional spaces. Once designed and well trained, the AI model is applied for inference. However, even optimized AI models can produce inference errors due to aleatoric and epistemic uncertainties. Interestingly, we observed that when inferring multiple samples based on invariant transformations of an input, inference errors can show partial independences due to epistemic uncertainty. Leveraging this insight, we propose a "resampling" based inferencing that applies to a trained AI model with multiple transformed versions of an input, and aggregates inference outputs to a more accurate result. This approach has the potential to improve inference accuracy and offers a strategy for balancing model size and performance.

Prompting schemes such as Chain of Thought, Tree of Thoughts, and Graph of Thoughts can significantly enhance the reasoning capabilities of large language models. However, most existing schemes require users to define static, problem-specific reasoning structures that lack adaptability to dynamic or unseen problem types. Additionally, these schemes are often under-optimized in terms of hyperparameters, prompts, runtime, and prompting cost. To address these limitations, we introduce Framework of Thoughts (FoT)--a general-purpose foundation framework for building and optimizing dynamic reasoning schemes. FoT comes with built-in features for hyperparameter tuning, prompt optimization, parallel execution, and intelligent caching, unlocking the latent performance potential of reasoning schemes. We demonstrate FoT's capabilities by implementing three popular schemes--Tree of Thoughts, Graph of Thoughts, and ProbTree--within FoT. We empirically show that FoT enables significantly faster execution, reduces costs, and achieves better task scores through optimization. We release our codebase to facilitate the development of future dynamic and efficient reasoning schemes.

Manipulating dynamic objects remains an open challenge for Vision-Language-Action (VLA) models. Although recent VLAs generalize well in static manipulation, dynamic scenes introduce a latency-induced perception-execution mismatch: object states continue to evolve during inference, making actions predicted from past observations stale at execution time. We present DynamicVLA, a latency-aware VLA model for dynamic object manipulation. It combines a compact 0.4B architecture and convolutional vision encoder for efficient multimodal inference with a continuous inference schedule that overlaps reasoning and execution for non-blocking control. Latent-aware Action Streaming then discards latency-invalid action prefixes and executes only the temporally valid suffix of each predicted chunk, preserving action-time alignment under dynamic object motion. To fill the missing foundation of dynamic manipulation data, we introduce the Dynamic Object Manipulation (DOM) benchmark, built with an automated collection pipeline that gathers 200K synthetic episodes across 2.8K scenes and 206 objects, and enables fast collection of 2K real-world episodes without teleoperation. Extensive evaluations in simulation and on real robots show that DynamicVLA improves dynamic manipulation success under changing object motion, perception-heavy instructions, and unseen motion patterns.

Graph Neural Networks (GNNs) have been widely adopted for their ability to compute expressive node representations in graph datasets. However, serving GNNs on large graphs is challenging due to the high communication, computation, and memory overheads of constructing and executing computation graphs, which represent information flow across large neighborhoods. Existing approximation techniques in training can mitigate the overheads but, in serving, still lead to high latency and/or accuracy loss. To this end, we propose Reforge, a system that enables low-latency GNN serving for large graphs with minimal accuracy loss through two key ideas. First, Reforge employs selective recomputation of precomputed embeddings, which allows for reusing precomputed computation subgraphs while selectively recomputing a small fraction to minimize accuracy loss. Second, we develop computation graph parallelism, which reduces communication overhead by parallelizing the creation and execution of computation graphs across machines. Our evaluation with large graph datasets and GNN models shows that Reforge significantly outperforms state-of-the-art techniques.