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Aug 12

Stop Early, Spend Less: Hidden-State Probes as a Practical Recipe for Streaming Moderation of LLM Outputs

Deploying large language models in user-facing systems requires efficient output safety filtering. Existing approaches typically rely on a separate moderation model applied after generation, which doubles inference cost and only detects violations after generation completes. We observe that the signal needed for moderation is already present in the model hidden states. Based on this, we train lightweight token-level probes that operate directly on internal activations, producing per-token safety scores that can be aggregated for both offline evaluation and online intervention. The probe reuses activations from the generator and requires no additional forward pass, enabling sub millisecond per-token safety checks inside the decoding loop. A probe applied to a single mid layer recovers most decisions of a strong guard model, acting as a low cost surrogate optimized for latency rather than accuracy. In streaming settings, it can halt or modify unsafe outputs before they are fully generated, replacing end of sequence moderation with continuous token level monitoring. Compared to post hoc and streaming guard models, our method achieves orders of magnitude lower compute overhead with minimal latency cost. We also provide a practical deployment recipe, including layer selection, aggregation strategy, probing frequency, and triggering thresholds. Finally, we show that the probe linear component corresponds to a direction in residual space, enabling both detection and activation steering at negligible cost.

  • 3 authors
·
Jun 8

Doomed from the Start: Early Abort of LLM Agent Episodes via a Recall-Controlled Probe Cascade

Large language model (LLM) agents often waste inference compute by continuing multi-step trajectories that are already doomed to fail. We study early failure prediction and inference-time early stopping for LLM agents using hidden-state probes. Lightweight linear probes on internal activations predict eventual task failure from the first interaction round, substantially earlier than agent-monitoring methods based only on observable behavior. We turn this signal into a recall-controlled abort cascade for reducing LLM agent inference costs. The cascade applies a distribution-free calibrated failure detector at each early interaction round and jointly optimizes per-round recall budgets. This design ensures that eventually successful episodes survive all early-stopping gates at a user-specified global recall rate. After selection, the cascade is frozen and certified on independent data, providing an exact post-selection recall guarantee. We evaluate the method on TextCraft and WebShop with Qwen-2.5-7B, Llama-3.2-3B, and Qwen3-1.7B. The proposed LLM agent early-stopping cascade outperforms the best single-gate baseline in every model-environment pair, saving 1.5-8.8 times more compute at a 90% recall target. Achieved recall remains within one standard deviation of its target in all 24 configurations. The strongest settings reduce generated tokens by 60.2% on TextCraft and 54.9% on WebShop at 90% recall, while retaining savings of 45.0% and 41.5% at 95% recall. Behavior-only monitoring is consistently weaker, and adding behavioral features to hidden-state probes provides no further gain. We also characterize the sample complexity required to certify high-recall early-stopping policies. The code will be released soon.

  • 7 authors
·
Jul 15

Plans Don't Persist: Why Context Management Is Load Bearing for LLM Agents

Long-horizon agents depend on context management: systems compress, summarize, and evict old tokens so tasks can continue beyond finite windows. That is safe only when dropped information is no longer needed or has been internalized. Plans are the stress case: they are written early, used for many steps, and first to be evicted. We introduce replay pairing, a diagnostic that runs the same trajectory with and without the plan in history and measures hidden-state cosine distance. On Llama-3.1-70B, plan signal spikes to 0.453 one step after the plan, then falls 4.1x in a single action-observation step; HotpotQA falls 12.4x. This is evidence that standard LLM agents do not carry plans forward as persistent state, and instead depend on the plan remaining in context. A layer-L32 probe detects this decay as a diagnostic, not as proof that it reads plan content itself. Reasoning models add a measurement confound: their `<think>` traces re-derive plan content, so standard stripping leaves plan evidence in the stripped condition. We name this the reasoning-trace confound and fix it with strict stripping, which removes prior `<think>` blocks from the stripped run only. It recovers +163% of the step+1 signal in-sample and +153% held out, while not meaningfully changing non-reasoning Llama (+4.8%). On DeepSeek-R1-Distill-Llama-70B, a Llama-trained probe transfers at AUROC 0.748 (p=6e-4), while R1-specific probes reach 1.000, suggesting R1 encodes plan signal in a different hidden-state direction. Finally, a compression stress test shows the practical cost: naive plan eviction cuts ALFWorld success by 34.7pp, while probe-gated re-surfacing does not recover it. The contribution is a measurement and stress-test framework showing that agent-critical information can be context-resident rather than persistent. Context management is load bearing, but plan protection alone is not enough.

Snowflake Snowflake
·
Jun 21 1

Where Reliability Lives in Vision-Language Models: A Mechanistic Study of Attention, Hidden States, and Causal Circuits

A pervasive intuition holds that vision-language models (VLMs) are most trustworthy when their attention maps look sharp: concentrated attention on the queried region should imply a confident, calibrated answer. We test this Attention-Confidence Assumption directly. We instrument three open-weight VLM families (LLaVA-1.5, PaliGemma, Qwen2-VL; 3-7B parameters) with a unified mechanistic pipeline -- the VLM Reliability Probe (VRP) -- that compares attention structure, generation dynamics, and hidden-state geometry against a single correctness label. Three results emerge. (i) Attention structure is a near-zero predictor of correctness (R_pb(C_k,y)=0.001, 95% CI [-0.034,0.036]; R_pb(H_s,y)=-0.012, [-0.047,0.024] on a pooled n=3,090 split), even though attention remains causally necessary for feature extraction (top-30% patch masking drops accuracy by 8.2-11.3 pp, p<0.001). (ii) Reliability becomes legible later in the computation: a single hidden-state linear probe reaches AUROC>0.95 on POPE for two of three families, and self-consistency at K=10 is the strongest behavioral predictor we measure at 10x inference cost (R_pb=0.43). (iii) Causal neuron-level ablations expose a sharp architectural split with direct monitor-design implications: late-fusion LLaVA concentrates reliability in a fragile late bottleneck (-8.3 pp object-identification accuracy after top-5 probe-neuron ablation), whereas early-fusion PaliGemma and Qwen2-VL distribute it widely and absorb destruction of ~50% of their peak-layer hidden dimension with <=1 pp degradation. The takeaway is narrow but consequential: in 3-7B VLMs, reliability is read more reliably off hidden-state geometry, layer-wise margin formation, and sparse late-layer circuits than off attention-map sharpness.

  • 7 authors
·
May 4

Unintended Misalignment from Agentic Fine-Tuning: Risks and Mitigation

Beyond simple text generation, Large Language Models (LLMs) have evolved into agentic systems capable of planning and interacting with external tools to solve complex tasks. This evolution involves fine-tuning LLMs on agent-specific tasks to enhance their proficiency. However, safety concerns are frequently overlooked during this fine-tuning process. In this work, we show that aligned LLMs can become unintentionally misaligned, leading to a higher likelihood of executing harmful tasks and a reduced tendency to refuse them when fine-tuned to execute agentic tasks. To address these safety challenges, we propose Prefix INjection Guard (PING), a simple yet effective method that prepends automatically generated natural language prefixes to agent responses, guiding them to refuse harmful requests while preserving performance on benign tasks. Specifically, we introduce an iterative approach that alternates between (1) generating candidate prefixes and (2) selecting those that optimize both task performance and refusal behavior. Experimental results demonstrate that PING significantly enhances the safety of fine-tuned LLM agents without sacrificing their effectiveness. PING consistently outperforms existing prompting approaches across diverse benchmarks in both web navigation and code generation tasks. Our analysis of internal hidden states via linear probes reveals that prefix tokens are crucial for behavior modification, explaining the performance gains. WARNING: This paper contains contents that are unethical or offensive in nature.

  • 4 authors
·
Aug 19, 2025

V-Reflection: Transforming MLLMs from Passive Observers to Active Interrogators

Multimodal Large Language Models (MLLMs) have achieved remarkable success, yet they remain prone to perception-related hallucinations in fine-grained tasks. This vulnerability arises from a fundamental limitation: their reasoning is largely restricted to the language domain, treating visual input as a static, reasoning-agnostic preamble rather than a dynamic participant. Consequently, current models act as passive observers, unable to re-examine visual details to ground their evolving reasoning states. To overcome this, we propose V-Reflection, a framework that transforms the MLLM into an active interrogator through a "think-then-look" visual reflection mechanism. During reasoning, latent states function as dynamic probes that actively interrogate the visual feature space, grounding each reasoning step for task-critical evidence. Our approach employs a two-stage distillation strategy. First, the Box-Guided Compression (BCM) module establishes stable pixel-to-latent targets through explicit spatial grounding. Next, a Dynamic Autoregressive Compression (DAC) module maps the model's hidden states into dynamic probes that interrogate the global visual feature map. By distilling the spatial expertise of the BCM teacher into the DAC student, V-Reflection internalizes the ability to localize task-critical evidence. During inference, both modules remain entirely inactive, maintaining a purely end-to-end autoregressive decoding in the latent space with optimal efficiency. Extensive experiments demonstrate the effectiveness of our V-Reflection across six perception-intensive benchmarks, significantly narrowing the fine-grained perception gap. Visualizations confirm that latent reasoning autonomously localizes task-critical visual evidence.

  • 7 authors
·
Mar 30 1

Grounded or Guessing? LVLM Confidence Estimation via Blind-Image Contrastive Ranking

Large vision-language models suffer from visual ungroundedness: they can produce a fluent, confident, and even correct response driven entirely by language priors, with the image contributing nothing to the prediction. Existing confidence estimation methods cannot detect this, as they observe model behavior under normal inference with no mechanism to determine whether a prediction was shaped by the image or by text alone. We introduce BICR (Blind-Image Contrastive Ranking), a model-agnostic confidence estimation framework that makes this contrast explicit during training by extracting hidden states from a frozen LVLM twice: once with the real image-question pair, and once with the image blacked out while the question is held fixed. A lightweight probe is trained on the real-image hidden state and regularized by a ranking loss that penalizes higher confidence on the blacked-out view, teaching it to treat visual grounding as a signal of reliability at zero additional inference cost. Evaluated across five modern LVLMs and seven baselines on a benchmark covering visual question answering, object hallucination detection, medical imaging, and financial document understanding, BICR achieves the best cross-LVLM average on both calibration and discrimination simultaneously, with statistically significant discrimination gains robust to cluster-aware analysis at 4-18x fewer parameters than the strongest probing baseline.

  • 7 authors
·
May 10

FlashRNN: Optimizing Traditional RNNs on Modern Hardware

While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and logical reasoning. Traditional RNNs like LSTMs and GRUs, as well as modern variants like sLSTM do have these capabilities at the cost of strictly sequential processing. While this is often seen as a strong limitation, we show how fast these networks can get with our hardware-optimization FlashRNN in Triton and CUDA, optimizing kernels to the register level on modern GPUs. We extend traditional RNNs with a parallelization variant that processes multiple RNNs of smaller hidden state in parallel, similar to the head-wise processing in Transformers. To enable flexibility on different GPU variants, we introduce a new optimization framework for hardware-internal cache sizes, memory and compute handling. It models the hardware in a setting using polyhedral-like constraints, including the notion of divisibility. This speeds up the solution process in our ConstrINT library for general integer constraint satisfaction problems (integer CSPs). We show that our kernels can achieve 50x speed-ups over a vanilla PyTorch implementation and allow 40x larger hidden sizes compared to our Triton implementation. Our open-source kernels and the optimization library are released here to boost research in the direction of state-tracking enabled RNNs and sequence modeling: https://github.com/NX-AI/flashrnn

  • 3 authors
·
Dec 10, 2024

Closing the Activation-Cone Blind Spot: Response-Time Probing and Unified Defense

Inference-time safety methods for large language models have proliferated, yet no systematic comparison exists. We evaluate five defense paradigms (no defense, static steering, CAST, AlphaSteer, probe-gated) across seven instruction-tuned models (7-31B) and five attack types (GCG, AutoDAN, DeepInception, prefilling, intent laundering). Our central finding: prompt-time activation defenses are structurally blind to prefilling attacks. AlphaSteer achieves 0% attack success on GCG, AutoDAN, and intent laundering but 50% on prefilling. We prove a corollary: any defense that gates intervention on a single layer's activation alignment with a benign reference (cone, subspace, or null-space) is blind to attacks that craft activations to lie inside that reference, whether checked at prompt time or per token. As its constructive contrapositive we introduce response-time probing: a linear probe on the model's hidden state at the first generated tokens, with AUROC 0.97-1.00 across all seven models. Combined with a halt, it cuts prefilling attack success to 0/40 on every model with 0% benign false positives, outperforming Llama Guard 3. Cross-template generalisation depends on probe depth, so we scope the claim to the canonical prefilling-template family. Composing the response-halt with AlphaSteer's null-space steering gives an orthogonal split (the halt catches prefilling, AlphaSteer catches semantic attacks), reaching defense success 0.983 on Mistral and 0.994 on Llama and dominating both components. We further show MMLU fails to capture steering's true utility cost, which appears as behavioral hedging rather than factual loss, and that diverse negative training sets cut probe false positives from 80-100% to near zero. Code, attacks, per-sample results, and the judge prompt are released.

  • 1 authors
·
Jun 27

Reasoning Models Don't Just Think Longer, They Move Differently

Reasoning-trained language models often spend more tokens on harder problems, but longer chains of thought do not show whether a model is merely computing for more steps or following a different internal trajectory. We study this distinction through hidden-state trajectories during chain-of-thought generation across competitive programming, mathematics, and Boolean satisfiability. Raw trajectory geometry is strongly shaped by generation length: longer generations mechanically alter path statistics, so difficulty-dependent comparisons are misleading without adjustment. After residualizing trajectory statistics on length, difficulty remains systematically coupled to corrected trajectory geometry across all domains studied. The clearest reasoning-specific separation appears in the code domain, where harder problems show more direct corrected trajectories and less heterogeneous local curvature in reasoning-trained models than in matched instruction-tuned baselines. Corrected difficulty-geometry coupling is weaker, but still present, in mathematics and Boolean satisfiability. Prompt-stage linear probes do not mirror the code-domain separation, and behavioral annotations show that stronger corrected coupling co-occurs with strategy shifts and uncertainty monitoring. Together, these findings establish length correction as a prerequisite for generation-time trajectory analysis and show that reasoning training can be associated with distinct corrected trajectory geometry, with the strength of the effect depending on the domain.

  • 3 authors
·
May 13

LLM Agents Already Know When to Call Tools -- Even Without Reasoning

Tool-augmented LLM agents tend to call tools indiscriminately, even when the model can answer directly. Each unnecessary call wastes API fees and latency, yet no existing benchmark systematically studies when a tool call is actually needed. We propose When2Tool, a benchmark of 18 environments (15 single-hop, 3 multi-hop) spanning three categories of tool necessity -- computational scale, knowledge boundaries, and execution reliability -- each with controlled difficulty levels that create a clear decision boundary between tool-necessary and tool-unnecessary tasks. We evaluate two families of training-free baselines: Prompt-only (varying the prompt to discourage unnecessary calls) and Reason-then-Act (requiring the model to reason about tool necessity before acting). Both provide limited control: Prompt-only suppresses necessary calls alongside unnecessary ones, and Reason-then-Act still incurs a disproportionate accuracy cost on hard tasks. To understand why these baselines fail, we probe the models' hidden states and find that tool necessity is linearly decodable from the pre-generation representation with AUROC 0.89--0.96 across six models, substantially exceeding the model's own verbalized reasoning. This reveals that models already know when tools are needed, but fail to act on this knowledge during generation. Building on this finding, we propose Probe&Prefill, which uses a lightweight linear probe to read the hidden-state signal and prefills the model's response with a steering sentence. Across all models tested, Probe&Prefill reduces tool calls by 48% with only 1.7% accuracy loss, while the best baseline at comparable accuracy only reduces 6% of tool calls, or achieves a similar tool call reduction but incurs a 5times higher accuracy loss. Our code is available at https://github.com/Trustworthy-ML-Lab/when2tool

  • 5 authors
·
May 9 1

LaTER: Efficient Test-Time Reasoning via Latent Exploration and Explicit Verification

Chain-of-thought (CoT) reasoning improves large language models (LLMs) on difficult tasks, but it also makes inference expensive because every intermediate step must be generated as a discrete token. Latent reasoning reduces visible token generation by propagating continuous states, yet replacing explicit derivations with latent computation can hurt tasks that require symbolic checking. We propose Latent-Then-Explicit Reasoning (LaTER), a two-stage paradigm that first performs bounded exploration in a continuous latent space and then switches to explicit CoT for verification and answer generation. In a training-free instantiation, LaTER projects final-layer hidden states back to the input embedding space, preserves the latent KV cache, and uses entropy and model-native stop-token probes to decide when to switch. We find that strong reasoning models already exhibit structured latent trajectories under this interface. On Qwen3-14B, training-free LaTER reduces total token usage by 16%-32% on several benchmarks while matching or improving accuracy on most of them; for example, it improves AIME 2025 from 70.0% to 73.3% while reducing tokens from 15,730 to 10,661. We further construct Latent-Switch-69K, a supervised corpus that pairs condensed solution intuitions with shortened explicit derivations. Fine-tuning with latent rollout and halting supervision yields additional gains: trained LaTER reaches 80.0% accuracy on AIME 2025, 10.0 points above the standard CoT baseline, while using 33% fewer tokens. Our code, data, and model are available at https://github.com/TioeAre/LaTER.

  • 10 authors
·
May 7

OSWorld2.0: Benchmarking Computer Use Agents on Long-Horizon Real-World Tasks

Existing computer-use benchmarks fail to capture the realism, complexity, and long-horizon demands of real-world computer use, limiting their ability to reveal the limitations of frontier agents. We introduce OSWorld 2.0, a benchmark of 108 long-horizon computer-use workflows across everyday and professional tasks, designed to capture complex and challenging real-world phenomena. Each task represents a realistic end-to-end workflow that takes human users a median of about 1.6 hours to complete and requires an average of 318 tool calls with Claude Opus 4.7 using maximum thinking, compared with about 30 in OSWorld 1.0. OSWorld 2.0 targets challenge phenomena that are common in real workflows yet underrepresented in prior benchmarks, spanning interaction-design challenges such as streaming interaction and dynamic environments, as well as agent-pattern challenges such as cross-source reasoning, implicit-state inference, and visual-spatial precision. Tasks are grounded in authentic input artifacts and cross-referenced against realistic stateful user profile data, and include separate safety reports auditing safety-sensitive execution. Under our primary binary-completion metric at 500 steps, Claude Opus 4.8 with maximum thinking and batched tool calls scores best but still completes only 20.6% of tasks at a 54.8% partial score; GPT-5.5 is far more token-efficient yet plateaus near 13%. These results show that current agents are still far from professional-level computer use: rather than stumbling on basic GUI control or coding, they lose track of constraints, miss information that arrives mid-task, guess rather than ask the user, and skip verification, struggling most when a task hinges on hidden state they must recover.

  • 36 authors
·
Jun 27 1

DiffAdapt: Difficulty-Adaptive Reasoning for Token-Efficient LLM Inference

Recent reasoning Large Language Models (LLMs) demonstrate remarkable problem-solving abilities but often generate long thinking traces whose utility is unclear. Our work aims to improve their efficiency, enabling them to reach high performance without overthinking. First, we analyze the entropy of token probabilities in reasoning traces. Across three models, we observe a consistent U-shaped entropy pattern: high entropy on easy problems despite high accuracy, low entropy on problems with medium difficulty, and high entropy on hard problems reflecting uncertainty. Specifically, we notice 22--25\% entropy reduction from easy to medium difficulty regions, suggesting an {overthinking} phenomenon on easy instances. Building on these insights, we introduce DiffAdapt, a lightweight framework that selects Easy/Normal/Hard inference strategies per question based on their difficulty and reasoning trace entropy. Each inference strategy consists of a fixed prompt, temperature and maximum token length. In contrast to existing efficiency optimization methods, our approach does not fine-tune base LLM but a small probe that classifies LLM's final hidden state, allowing inexpensive adaptation. We comprehensively evaluate our method on five models and eight benchmarks. Our method achieves comparable or improved accuracy while reducing token usage by up to 22.4\%, establishing a practical path toward compute-efficient reasoning.

  • 4 authors
·
Oct 22, 2025

Model Surgery: Modulating LLM's Behavior Via Simple Parameter Editing

Large Language Models (LLMs) have demonstrated great potential as generalist assistants, showcasing powerful task understanding and problem-solving capabilities. To deploy LLMs as AI assistants, it is crucial that these models exhibit desirable behavioral traits, such as non-toxicity and resilience against jailbreak attempts. Current methods for detoxification or preventing jailbreaking usually involve Supervised Fine-Tuning (SFT) or Reinforcement Learning from Human Feedback (RLHF), which requires finetuning billions of parameters through gradient descent with substantial computation cost. Furthermore, models modified through SFT and RLHF may deviate from the pretrained models, potentially leading to a degradation in foundational LLM capabilities. In this paper, we observe that surprisingly, directly editing a small subset of parameters can effectively modulate specific behaviors of LLMs, such as detoxification and resistance to jailbreaking. Specifically, for a behavior that we aim to avoid, we employ a linear classifier, which we term the behavior probe, to classify binary behavior labels within the hidden state space of the LLM. Using this probe, we introduce an algorithm to identify a critical subset of LLM parameters that significantly influence this targeted behavior. Then we directly edit these selected parameters by shifting them towards the behavior probe. Such a direct parameter editing method necessitates only inference-level computational resources. Experiments demonstrate that in the representative detoxification task, our approach achieves reductions of up to 90.0\% in toxicity on the RealToxicityPrompts dataset and 49.2\% on ToxiGen, while maintaining the LLM's general capabilities in areas such as common sense, question answering, and mathematics. Our code is available at https://github.com/lucywang720/model-surgery.

  • 8 authors
·
Jul 11, 2024 4

Layer-aware TDNN: Speaker Recognition Using Multi-Layer Features from Pre-Trained Models

Recent advances in self-supervised learning (SSL) on Transformers have significantly improved speaker verification (SV) by providing domain-general speech representations. However, existing approaches have underutilized the multi-layered nature of SSL encoders. To address this limitation, we propose the layer-aware time-delay neural network (L-TDNN), which directly performs layer/frame-wise processing on the layer-wise hidden state outputs from pre-trained models, extracting fixed-size speaker vectors. L-TDNN comprises a layer-aware convolutional network, a frame-adaptive layer aggregation, and attentive statistic pooling, explicitly modeling of the recognition and processing of previously overlooked layer dimension. We evaluated L-TDNN across multiple speech SSL Transformers and diverse speech-speaker corpora against other approaches for leveraging pre-trained encoders. L-TDNN consistently demonstrated robust verification performance, achieving the lowest error rates throughout the experiments. Concurrently, it stood out in terms of model compactness and exhibited inference efficiency comparable to the existing systems. These results highlight the advantages derived from the proposed layer-aware processing approach. Future work includes exploring joint training with SSL frontends and the incorporation of score calibration to further enhance state-of-the-art verification performance.

  • 5 authors
·
Sep 12, 2024

Neural Probe-Based Hallucination Detection for Large Language Models

Large language models(LLMs) excel at text generation and knowledge question-answering tasks, but they are prone to generating hallucinated content, severely limiting their application in high-risk domains. Current hallucination detection methods based on uncertainty estimation and external knowledge retrieval suffer from the limitation that they still produce erroneous content at high confidence levels and rely heavily on retrieval efficiency and knowledge coverage. In contrast, probe methods that leverage the model's hidden-layer states offer real-time and lightweight advantages. However, traditional linear probes struggle to capture nonlinear structures in deep semantic spaces.To overcome these limitations, we propose a neural network-based framework for token-level hallucination detection. By freezing language model parameters, we employ lightweight MLP probes to perform nonlinear modeling of high-level hidden states. A multi-objective joint loss function is designed to enhance detection stability and semantic disambiguity. Additionally, we establish a layer position-probe performance response model, using Bayesian optimization to automatically search for optimal probe insertion layers and achieve superior training results.Experimental results on LongFact, HealthBench, and TriviaQA demonstrate that MLP probes significantly outperform state-of-the-art methods in accuracy, recall, and detection capability under low false-positive conditions.

  • 2 authors
·
Dec 24, 2025

AST-Probe: Recovering abstract syntax trees from hidden representations of pre-trained language models

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

  • 4 authors
·
Jun 23, 2022

Where Did It Go Wrong? Process-Level Evaluation of Web Agents with Semantic State Tracking

Web agents act through long interaction sequences, yet existing benchmarks evaluate only terminal success, discarding all process information and offering little guidance on improvement. In this work, we conduct a process-level analysis of web agents. We introduce WebStep, a benchmark of 1,800 task instances with controlled difficulty and automatic semantic state tracking. Each website exposes a deterministic semantic MDP alongside the GUI: the agent operates on the interface, while the environment records high-level states and transitions in the background, enabling fine-grained analysis without manual annotation. Based on the semantic trajectory, we first show that process metrics reveal differences invisible to outcome evaluation: three agents whose success rates cluster within 31-33% diverge in exploration reach versus execution accuracy. Then, decomposing by skill characterizes the nature of these differences, exposing opposite per-skill rankings hidden within the same website: e.g., on Housing, OpenAI CUA outperforms Qwen3.5 by 23.7% on commit actions yet underperforms it by 15.6% on filtering, pinpointing a concrete skill to improve even within a domain. Bifurcation analysis further localizes the decisive error that loses the task and shows that this error is agent-specific rather than shared. Finally, these differences widen as tasks grow harder: success rate is similar on easy tasks but separates sharply as exploration becomes more demanding. Our process-level analysis opens a new avenue in web agent evaluation, providing fine-grained and actionable insight into where and how each agent should be improved.

D^2-Monitor: Dynamic Safety Monitoring for Diffusion LLMs via Hesitation-Aware Routing

Despite the emergence of diffusion large language models (D-LLMs) as an alternative to autoregressive large language models (AR-LLMs), safety monitoring for D-LLMs remains largely unexplored. Unlike AR-LLMs, D-LLMs generate text through a multi-step denoising process, exposing intermediate hidden representations that may contain safety-relevant information unavailable in standard single-step monitoring setups. Motivated by the suitability of lightweight probes for always-on monitoring, we analyze which trajectory-level signals best indicate when such probes are likely to struggle. We find that the most informative signal is safety hesitation: intermediate hidden states repeatedly falling within a small margin of the probe's decision boundary. The number of such hesitation steps in D-LLM's trajectory predicts probe failure effectively, providing a proxy of sample difficulty. Building on this analysis, we propose D^2-Monitor, a bi-level safety monitor for D-LLMs. D^2-Monitor adopts a lightweight probe as an always-on monitor to jointly estimate hesitation and perform base classification. When the hesitation level exceeds a threshold, a more expressive but computationally heavier probe is activated. This dynamic routing mechanism allocates monitoring resources efficiently at test time. Evaluated on 3 datasets (WildguardMix, ToxicChat, OpenAI-Moderation) across 4 D-LLMs, D^2-Monitor achieves state-of-the-art performance with a compact parameter footprint (leq 0.85M parameters), and exhibits the best trade-off between effectiveness and efficiency relative to 8 baselines.

Foundation Inference Models for Markov Jump Processes

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

  • 5 authors
·
Jun 10, 2024

WorldCoder-Bench: Benchmarking Physically Grounded 3D World Synthesis

Large language models (LLMs) are increasingly asked not only to write static interfaces, but to construct executable interactive worlds from natural language. Browser-native 3D, commonly built with Three.js, is a natural next frontier: generated programs must integrate assets, obey spatial and physical constraints, and keep user-facing controls synchronized with hidden runtime state. Existing web-generation benchmarks and evaluators, however, largely observe only pixels or DOM nodes, while the mechanics of a Three.js world unfold inside an opaque <canvas>. We introduce WorldCoder-Bench, a benchmark for autonomous, physically grounded 3D world synthesis. WorldCoder-Bench contains 2,026 expert-curated tasks across Simulation, Rendering, and Application scenarios, with optional .glb assets and hidden behavioral contracts. We further propose StateProbe, an execution-based protocol that probes generated programs in a sandboxed browser and verifies hidden, mutation-hardened contracts over runtime states and transitions. Beyond verification coverage, we report Return on Automation and Time Efficiency Multiplier to measure correctness-adjusted cost and time savings. Across nine frontier models, the best system reaches only 27.8% verification coverage on WorldCoder-Core and 19.9% on WorldCoder-Robust, with failures dominated by state-schema drift and broken interaction chains rather than missing scene elements. Utility metrics further show that cheap or fast models can still provide substantial value on easier domains. WorldCoder-Bench is available at https://anonymous.4open.science/r/WorldCoder-Bench/.

  • 11 authors
·
May 31

Hidden orbital polarization in diamond, silicon, germanium, gallium arsenide and layered materials

It was previously believed that the Bloch electronic states of non-magnetic materials with inversion symmetry cannot have finite spin polarizations. However, since the seminal work by Zhang et al. [Nat. Phys. 10, 387-393 (2014)] on local spin polarizations of Bloch states in non-magnetic, centrosymmetric materials, the scope of spintronics has been significantly broadened. Here, we show, using a framework that is universally applicable independent of whether hidden spin polarizations are small (e.g., diamond, Si, Ge, and GaAs) or large (e.g., MoS2 and WSe2), that the corresponding quantity arising from orbital - instead of spin - degrees of freedom, the hidden orbital polarization, is (i) much more abundant in nature since it exists even without spin-orbit coupling and (ii) more fundamental since the interband matrix elements of the site-dependent orbital angular momentum operator determines the hidden spin polarization. We predict that the hidden spin polarization of transition metal dichalcogenides is reduced significantly upon compression. We suggest experimental signatures of hidden orbital polarization from photoemission spectroscopies and demonstrate that the current-induced hidden orbital polarization may play a far more important role than its spin counterpart in antiferromagnetic information technology by calculating the current-driven antiferromagnetism in compressed silicon.

  • 2 authors
·
Aug 21, 2016

Algorithmic Shadow Spectroscopy

We present shadow spectroscopy as a simulator-agnostic quantum algorithm for estimating energy gaps using very few circuit repetitions (shots) and no extra resources (ancilla qubits) beyond performing time evolution and measurements. The approach builds on the fundamental feature that every observable property of a quantum system must evolve according to the same harmonic components: we can reveal them by post-processing classical shadows of time-evolved quantum states to extract a large number of time-periodic signals N_opropto 10^8, whose frequencies correspond to Hamiltonian energy differences with Heisenberg-limited precision. We provide strong analytical guarantees that (a) quantum resources scale as O(log N_o), while the classical computational complexity is linear O(N_o), (b) the signal-to-noise ratio increases with the number of processed signals as propto N_o, and (c) spectral peak positions are immune to reasonable levels of noise. We demonstrate our approach on model spin systems and the excited state conical intersection of molecular CH_2 and verify that our method is indeed intuitively easy to use in practice, robust against gate noise, amiable to a new type of algorithmic-error mitigation technique, and uses orders of magnitude fewer number of shots than typical near-term quantum algorithms -- as low as 10 shots per timestep is sufficient. Finally, we measured a high-quality, experimental shadow spectrum of a spin chain on readily-available IBM quantum computers, achieving the same precision as in noise-free simulations without using any advanced error mitigation, and verified scalability in tensor-network simulations of up to 100-qubit systems.

  • 4 authors
·
Jun 8, 2024

Attention, Please! Revisiting Attentive Probing for Masked Image Modeling

As fine-tuning (FT) becomes increasingly impractical at scale, probing is emerging as the preferred evaluation protocol for self-supervised learning (SSL). Yet, the standard linear probing (LP) fails to adequately reflect the potential of models trained with Masked Image Modeling (MIM), due to the distributed nature of patch tokens. This motivates the need for attentive probing, an alternative that uses attention to selectively aggregate patch-level features. Despite its growing adoption, attentive probing remains under-explored, with existing methods suffering from excessive parameterization and poor computational efficiency. In this work, we revisit attentive probing through the lens of the accuracy-efficiency trade-off. We conduct a systematic study of existing methods, analyzing their mechanisms and benchmarking their performance. We introduce efficient probing (EP), a multi-query cross-attention mechanism that eliminates redundant projections, reduces the number of trainable parameters, and achieves up to a 10times speed-up over conventional multi-head attention. Despite its simplicity, EP outperforms LP and prior attentive probing approaches across seven benchmarks, generalizes well beyond MIM to diverse pre-training paradigms, produces interpretable attention maps, and achieves strong gains in low-shot and layer-wise settings. Code available at https://github.com/billpsomas/efficient-probing.

  • 9 authors
·
Jun 11, 2025 2

Reading and Steering Representations of Materials-Science Mechanisms in an Open-Weight Language Model

Large language models can answer scientific questions, yet a correct output does not reveal whether the model represents or uses the governing physics. Here we show that materials science mechanism information in the open-weight google/gemma-4-E4B-it model has three experimentally separable forms: concepts are readable in individual hidden states, constitutive orientation is carried by controlled transformations between states, and selected internal representations causally control engineering answers. We combine matched direct and Jacobian vocabulary readouts, option-free state geometry, a 60-law counterfactual benchmark and causal interventions. In 50 held-out materials descriptions, three independently fitted Jacobian lenses reproduced concept ranks, and target-free word sets from both readouts enabled blinded identification of 9 of 10 mechanism families. A separate 72-prompt benchmark produced mechanism-specific hidden-state neighborhoods, but an exact graph audit showed that this apparent physical organization was equally explained by numerical comparison. We therefore compared otherwise identical prompts in which only the direction of the physical input was reversed, asking whether the resulting hidden-state movement followed the supplied constitutive law. These state transformations ordered direct, physically neutral and inverse laws across 60 frozen relations and correctly oriented 39 of 40 directional laws, whereas lexical controls were near chance. Bidirectional interventions shifted answer probabilities toward or away from the physically appropriate outcome across all 12 matched cases, while counterfactual state patches transferred opposing decision signals across mechanisms and answer formats. Physical relationships were therefore more visible in controlled state changes than in absolute states alone.

Anatomy of a Lie: A Multi-Stage Diagnostic Framework for Tracing Hallucinations in Vision-Language Models

Vision-Language Models (VLMs) frequently "hallucinate" - generate plausible yet factually incorrect statements - posing a critical barrier to their trustworthy deployment. In this work, we propose a new paradigm for diagnosing hallucinations, recasting them from static output errors into dynamic pathologies of a model's computational cognition. Our framework is grounded in a normative principle of computational rationality, allowing us to model a VLM's generation as a dynamic cognitive trajectory. We design a suite of information-theoretic probes that project this trajectory onto an interpretable, low-dimensional Cognitive State Space. Our central discovery is a governing principle we term the geometric-information duality: a cognitive trajectory's geometric abnormality within this space is fundamentally equivalent to its high information-theoretic surprisal. Hallucination detection is counts as a geometric anomaly detection problem. Evaluated across diverse settings - from rigorous binary QA (POPE) and comprehensive reasoning (MME) to unconstrained open-ended captioning (MS-COCO) - our framework achieves state-of-the-art performance. Crucially, it operates with high efficiency under weak supervision and remains highly robust even when calibration data is heavily contaminated. This approach enables a causal attribution of failures, mapping observable errors to distinct pathological states: perceptual instability (measured by Perceptual Entropy), logical-causal failure (measured by Inferential Conflict), and decisional ambiguity (measured by Decision Entropy). Ultimately, this opens a path toward building AI systems whose reasoning is transparent, auditable, and diagnosable by design.

RAPTOR: Ridge-Adaptive Logistic Probes

Probing studies what information is encoded in a frozen LLM's layer representations by training a lightweight predictor on top of them. Beyond analysis, probes are often used operationally in probe-then-steer pipelines: a learned concept vector is extracted from a probe and injected via additive activation steering by adding it to a layer representation during the forward pass. The effectiveness of this pipeline hinges on estimating concept vectors that are accurate, directionally stable under ablation, and inexpensive to obtain. Motivated by these desiderata, we propose RAPTOR (Ridge-Adaptive Logistic Probe), a simple L2-regularized logistic probe whose validation-tuned ridge strength yields concept vectors from normalized weights. Across extensive experiments on instruction-tuned LLMs and human-written concept datasets, RAPTOR matches or exceeds strong baselines in accuracy while achieving competitive directional stability and substantially lower training cost; these quantitative results are supported by qualitative downstream steering demonstrations. Finally, using the Convex Gaussian Min-max Theorem (CGMT), we provide a mechanistic characterization of ridge logistic regression in an idealized Gaussian teacher-student model in the high-dimensional few-shot regime, explaining how penalty strength mediates probe accuracy and concept-vector stability and yielding structural predictions that qualitatively align with trends observed on real LLM embeddings.

Qudit Designs and Where to Find Them

Unitary t-designs are some of the most versatile tools in quantum information theory. Their applications range from randomized benchmarking and shadow tomography, to more fundamental ones such as emulating quantum chaos and establishing exponential separations between classical and quantum query complexity. While unitary designs originating from a group structure, such as the Clifford group, have proven to be incredibly useful for qubit systems, unfortunately, this is no longer true for qudits. In fact, the classification of finite-group representations rules out the existence of unitary 2-designs for arbitrary qudit dimensions. This severely limits the applicability of standard quantum information primitives when it comes to qudit systems. We overcome these limitations with a three-fold contribution. First, we introduce a general technique to construct families of weighted state t-designs in arbitrary qudit dimensions. These weighted state-designs generalize classical shadow tomography protocol from qubits to qudits. Second, we introduce a Clifford character RB that allows us to benchmark the qudit Clifford group in any dimension, including non-prime-power dimensions. And third, we establish bounds on the quantum circuit complexity of generating approximate unitary-designs from native gates in existing quantum hardware such as high-spin and cavity-QED qudits. Our work further highlights the analogy between spin and optical coherent states by proving that spin-GKP codewords form a state 2-design while spin coherent states do not; in direct analogy with the optical case. This work is structured as a pedagogical and self-contained introduction to unitary designs and their applications to qudit systems.

  • 5 authors
·
Mar 3

Ground State Preparation via Dynamical Cooling

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

  • 4 authors
·
Apr 8, 2024

Stochastic Function Certification with Correlations

We study the Stochastic Boolean Function Certification (SBFC) problem, where we are given n Bernoulli random variables {X_e: e in U} on a ground set U of n elements with joint distribution p, a Boolean function f: 2^U to {0, 1}, and an (unknown) scenario S = {e in U: X_e = 1} of active elements sampled from p. We seek to probe the elements one-at-a-time to reveal if they are active until we can certify f(S) = 1, while minimizing the expected number of probes. Unlike most previous results that assume independence, we study correlated distributions p and give approximation algorithms for several classes of functions f. When f(S) is the indicator function for whether S is the spanning set of a given matroid, our problem reduces to finding a basis of active elements of a matroid by probing elements. We give a non-adaptive O(log n)-approximation algorithm for arbitrary distributions p, and show that this is tight up to constants unless P = NP, even for partition matroids. For uniform matroids, we give constant factor 4.642-approximation ([BBFT20]) that can be further improved to a 2-approximation if additionally the random variables are negatively correlated for the case of 1-uniform matroid. We also give an adaptive O(log k)-approximation algorithm for SBFC for k-uniform matroids for the Graph Probing problem, where we seek to probe the edges of a graph one-at-a-time until we find k active edges. The underlying distribution on edges arises from (hidden) independent vertex random variables, with an edge being active if at least one of its endpoints is active. This significantly improves over the information-theoretic lower bound on Ω(poly(n)) ([JGM19]) for adaptive algorithms for k-uniform matroids with arbitrary distributions.

  • 3 authors
·
Apr 2

Practical Benchmarking of Randomized Measurement Methods for Quantum Chemistry Hamiltonians

Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on a quantum device. To guide the selection of measurement methods designed for this observable estimation problem, we propose a benchmark called CSHOREBench (Common States and Hamiltonians for ObseRvable Estimation Benchmark) that assesses the performance of these methods against a set of common molecular Hamiltonians and common states encountered during the runtime of hybrid quantum-classical algorithms. In CSHOREBench, we account for resource utilization of a quantum computer through measurements of a prepared state, and a classical computer through computational runtime spent in proposing measurements and classical post-processing of acquired measurement outcomes. We apply CSHOREBench considering a variety of measurement methods on Hamiltonians of size up to 16 qubits. Our discussion is aided by using the framework of decision diagrams which provides an efficient data structure for various randomized methods and illustrate how to derandomize distributions on decision diagrams. In numerical simulations, we find that the methods of decision diagrams and derandomization are the most preferable. In experiments on IBM quantum devices against small molecules, we observe that decision diagrams reduces the number of measurements made by classical shadows by more than 80%, that made by locally biased classical shadows by around 57%, and consistently require fewer quantum measurements along with lower classical computational runtime than derandomization. Furthermore, CSHOREBench is empirically efficient to run when considering states of random quantum ansatz with fixed depth.

  • 7 authors
·
Dec 12, 2023

Avoiding Dilution: Using Diffusion and Vision Transformers to resolve Majorana Features in Nanowires at High Temperature

Identifying Majorana zero modes in semiconductor--superconductor nanowires requires ultra-low temperature transport measurements in dilution refrigerators, making device screening slow and resource-intensive. Here, we investigate whether high-temperature conductance data can be used to infer low-temperature Majorana nanowire properties before committing devices to dilution-refrigerator characterization. We generate paired high- and low-temperature conductance simulations for disordered Majorana nanowires and train neural networks to perform two related tasks. First, we use a Shifted Window U-Net Transformer diffusion-inspired architecture to reconstruct low-temperature conductance from thermally broadened high-temperature measurements, achieving high-fidelity recovery with R^2 0.95 for local conductance and R^2 0.91 for nonlocal conductance. Second, we train a Video Vision Transformer-based network to predict the low-temperature topological visibility directly from high-temperature conductance, obtaining R^2 0.80. These results demonstrate that machine-learning models can recover and infer low-temperature Majorana features from experimentally easier high-temperature data, providing a practical route for rejecting poor devices early thus avoiding slow and resource-intensive dilution refrigeration for non-promising devices. This high-temperature screening approach could substantially accelerate the experimental feedback loop for Majorana nanowire device development.

  • 4 authors
·
Jul 15

Experimental quantum adversarial learning with programmable superconducting qubits

Quantum computing promises to enhance machine learning and artificial intelligence. Different quantum algorithms have been proposed to improve a wide spectrum of machine learning tasks. Yet, recent theoretical works show that, similar to traditional classifiers based on deep classical neural networks, quantum classifiers would suffer from the vulnerability problem: adding tiny carefully-crafted perturbations to the legitimate original data samples would facilitate incorrect predictions at a notably high confidence level. This will pose serious problems for future quantum machine learning applications in safety and security-critical scenarios. Here, we report the first experimental demonstration of quantum adversarial learning with programmable superconducting qubits. We train quantum classifiers, which are built upon variational quantum circuits consisting of ten transmon qubits featuring average lifetimes of 150 mus, and average fidelities of simultaneous single- and two-qubit gates above 99.94% and 99.4% respectively, with both real-life images (e.g., medical magnetic resonance imaging scans) and quantum data. We demonstrate that these well-trained classifiers (with testing accuracy up to 99%) can be practically deceived by small adversarial perturbations, whereas an adversarial training process would significantly enhance their robustness to such perturbations. Our results reveal experimentally a crucial vulnerability aspect of quantum learning systems under adversarial scenarios and demonstrate an effective defense strategy against adversarial attacks, which provide a valuable guide for quantum artificial intelligence applications with both near-term and future quantum devices.

  • 24 authors
·
Apr 4, 2022

1d-qt-ideal-solver: 1D Idealized Quantum Tunneling Solver with Absorbing Boundaries

We present 1d-qt-ideal-solver, an open-source Python library for simulating one-dimensional quantum tunneling dynamics under idealized coherent conditions. The solver implements the split-operator method with second-order Trotter-Suzuki factorization, utilizing FFT-based spectral differentiation for the kinetic operator and complex absorbing potentials to eliminate boundary reflections. Numba just-in-time compilation achieves performance comparable to compiled languages while maintaining code accessibility. We validate the implementation through two canonical test cases: rectangular barriers modeling field emission through oxide layers and Gaussian barriers approximating scanning tunneling microscopy interactions. Both simulations achieve exceptional numerical fidelity with machine-precision energy conservation over femtosecond-scale propagation. Comparative analysis employing information-theoretic measures and nonparametric hypothesis tests reveals that rectangular barriers exhibit moderately higher transmission coefficients than Gaussian barriers in the over-barrier regime, though Jensen-Shannon divergence analysis indicates modest practical differences between geometries. Phase space analysis confirms complete decoherence when averaged over spatial-temporal domains. The library name reflects its scope: idealized signifies deliberate exclusion of dissipation, environmental coupling, and many-body interactions, limiting applicability to qualitative insights and pedagogical purposes rather than quantitative experimental predictions. Distributed under the MIT License, the library provides a deployable tool for teaching quantum mechanics and preliminary exploration of tunneling dynamics.

  • 5 authors
·
Dec 27, 2025

Supervised learning with quantum enhanced feature spaces

Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern recognition, with support vector machines (SVMs) being the most well-known method for classification problems. However, there are limitations to the successful solution to such problems when the feature space becomes large, and the kernel functions become computationally expensive to estimate. A core element to computational speed-ups afforded by quantum algorithms is the exploitation of an exponentially large quantum state space through controllable entanglement and interference. Here, we propose and experimentally implement two novel methods on a superconducting processor. Both methods represent the feature space of a classification problem by a quantum state, taking advantage of the large dimensionality of quantum Hilbert space to obtain an enhanced solution. One method, the quantum variational classifier builds on [1,2] and operates through using a variational quantum circuit to classify a training set in direct analogy to conventional SVMs. In the second, a quantum kernel estimator, we estimate the kernel function and optimize the classifier directly. The two methods present a new class of tools for exploring the applications of noisy intermediate scale quantum computers [3] to machine learning.

  • 7 authors
·
Apr 30, 2018

Your Language Model is Its Own Critic: Reinforcement Learning with Value Estimation from Actor's Internal States

Reinforcement learning with verifiable rewards (RLVR) for Large Reasoning Models hinges on baseline estimation for variance reduction, but existing approaches pay a heavy price: PPO requires a policy-model scale critic, while GRPO needs multiple rollouts per prompt to keep its empirical group mean stable. We introduce Policy Optimization with Internal State Value Estimation), which obtains a baseline at negligible cost by using the policy model's internal signals already computed during the policy forward pass. A lightweight probe predicts the expected verifiable reward from the hidden states of the prompt and generated trajectory, as well as token-entropy statistics, and is trained online alongside the policy. To preserve gradient unbiasedness despite using trajectory-conditioned features, we introduce a cross-rollout construction that predicts each rollout's value from an independent rollout's internal states. Because POISE estimates prompt value using only a single rollout, it enables higher prompt diversity for a fixed compute budget during training. This reduces gradient variance for more stable learning and also eliminates the compute overhead of sampling costs for detecting zero-advantage prompts. On Qwen3-4B and DeepSeek-R1-Distill-Qwen-1.5B across math reasoning benchmarks, POISE matches DAPO while requiring less compute. Moreover, its value estimator shows similar performance to a separate LLM-scale value model and generalizes to various verifiable tasks. By leveraging the model's own internal representations, POISE enables more stable and efficient policy optimization.

Roadmap: 2D Materials for Quantum Technologies

Two-dimensional (2D) materials have emerged as a versatile and powerful platform for quantum technologies, offering atomic-scale control, strong quantum confinement, and seamless integration into heterogeneous device architectures. Their reduced dimensionality enables unique quantum phenomena, including optically addressable spin defects, tunable single-photon emitters, low-dimensional magnetism, gate-controlled superconductivity, and correlated states in Moiré superlattices. This Roadmap provides a comprehensive overview of recent progress and future directions in exploiting 2D materials for quantum sensing, computation, communication, and simulation. We survey advances spanning spin defects and quantum sensing, quantum emitters and nonlinear photonics, computational theory and data-driven discovery of quantum defects, spintronic and magnonic devices, cavity-engineered quantum materials, superconducting and hybrid quantum circuits, quantum dots, Moiré quantum simulators, and quantum communication platforms. Across these themes, we identify common challenges in defect control, coherence preservation, interfacial engineering, and scalable integration, alongside emerging opportunities driven by machine-learning-assisted design and integrated experiment-theory feedback loops. By connecting microscopic quantum states to mesoscopic excitations and macroscopic device architectures, this Roadmap outlines a materials-centric framework for integrating coherent quantum functionalities and positions 2D materials as foundational building blocks for next-generation quantum technologies.

  • 32 authors
·
Dec 16, 2025

Pressure-Testing Deception Probes in LLMs: Scaling, Robustness, and the Geometry of Deceptive Representations

Linear probes trained on LLM activations are increasingly proposed as deception-detection metrics, yet report AUROC exceeding 0.96 on clean benchmarks while collapsing under distributional shift. This paper systematically pressure-tests probe-based metrics across the Gemma 3 model family (1B-27B parameters), diagnosing why they fail rather than merely documenting that they fail. We test four hypotheses about deception encoding: (1) single linear direction, (2) multi-dimensional subspace, (3) convex conic hull, (4) entropy proxy. Our design includes cross-domain transfer matrices, multi-dimensional probe analysis with permutation null baselines, entropy-residualization tests, and distractor evaluations across 8 stylistic shifts. We find that: (a) probes achieve near-perfect AUROC (>=0.998) on clean data but collapse under stylistic shifts; style-augmented probes recover near-perfect detection (mean AUROC 0.979-0.983) on unseen styles; (b) the single-direction hypothesis is rejected (k=1 captures only 0.61-0.80 AUROC), with cross-domain transfer failure confirmed as geometric rather than layer-mismatch-driven; (c) the entropy-proxy hypothesis is rejected (max |rho|=0.454, max Delta-AUROC after residualization=0.004); and (d) deception does not form a significant linear subspace (per-domain k*=0), yet multi-dimensional probes (k>=5) recover the signal through distributed sub-threshold features. Probe fragility reflects distributional narrowness rather than an architectural limitation: style-augmented probes recover near-perfect detection at both 4B and 27B, establishing that the inverse scaling pattern is a training-distribution artifact rather than a genuine scale-dependent phenomenon.

  • 1 authors
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May 27 2

Probe-Geometry Alignment: Erasing the Cross-Sequence Memorization Signature Below Chance

Recent attacks show that behavioural unlearning of large language models leaves internal traces recoverable by adversarial probes. We characterise where this retention lives and show it can be surgically removed without measurable capability cost. Our central protocol is a leave-one-out cross-sequence probe that tests whether a memorisation signature generalises across held-out sequences. The signature is real and consistent across scale: memorisation-specific gaps of +0.32, +0.19, +0.30 on Pythia-70M, GPT-2 medium, and Mistral-7B; on Pythia-70M, the random-initialisation control collapses to -0.04 at the deepest layer where the pretrained signature peaks. The probe direction is causally separable from recall -- projecting it out collapses the signature locally (+0.44 -> -0.19) while behavioural recall barely changes -- and a probe trained on naturally memorised content does not classify fine-tuning-injected secrets, marking two representationally distinct regimes. We then introduce probe-geometry alignment (PGA), a surgical erasure that aligns activations along the probe's live readout direction at each depth. PGA drives the cross-sequence probe below random chance at all four scales tested (toy depth-4: 0.17; Pythia-70M: 0.07; Mistral-7B: 0.45; GPT-2 medium: 0.06 via MD-PGA k=2) and remains robust to six adversarial probe variants. Against a re-fitting attacker who trains a fresh probe on PGA-treated activations, we extend PGA adversarially, defeating the re-fit probe at every memorisation-relevant depth while preserving five zero-shot capability benchmarks within 2.8 percentage points per task (mean Δacc = +0.2pp). The cross-sequence signature is a real, causally separable, regime-specific property of pretrained representations -- removable below chance with a single rank-one intervention per depth at no measurable capability cost.

  • 2 authors
·
May 5

Approximate Quantum Compiling for Quantum Simulation: A Tensor Network based approach

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum many-body Hamiltonians. This tailored approach has two clear advantages over previous algorithms that were designed to map a generic MPS to a quantum circuit. First, we optimize all parameters of a parametric circuit at once using Approximate Quantum Compiling (AQC) - this is to be contrasted with other approaches based on locally optimizing a subset of circuit parameters and "sweeping" across the system. We introduce an optimization scheme to avoid the so-called ``orthogonality catastrophe" - i.e. the fact that the fidelity of two arbitrary quantum states decays exponentially with the number of qubits - that would otherwise render a global optimization of the circuit impractical. Second, the depth of our parametric circuit is constant in the number of qubits for a fixed simulation time and fixed error tolerance. This is to be contrasted with the linear circuit Ansatz used in generic algorithms whose depth scales linearly in the number of qubits. For simulation problems on 100 qubits, we show that AQCtensor thus achieves at least an order of magnitude reduction in the depth of the resulting optimized circuit, as compared with the best generic MPS to quantum circuit algorithms. We demonstrate our approach on simulation problems on Heisenberg-like Hamiltonians on up to 100 qubits and find optimized quantum circuits that have significantly reduced depth as compared to standard Trotterized circuits.

  • 4 authors
·
Jan 20, 2023

Minimal evolution times for fast, pulse-based state preparation in silicon spin qubits

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H_2, HeH^+, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H_2 from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits.

  • 8 authors
·
Jun 16, 2024

A PINN Approach to Symbolic Differential Operator Discovery with Sparse Data

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

  • 3 authors
·
Dec 8, 2022

Superpositions of thermalisations in relativistic quantum field theory

Recent results in relativistic quantum information and quantum thermodynamics have independently shown that in the quantum regime, a system may fail to thermalise when subject to quantum-controlled application of the same, single thermalisation channel. For example, an accelerating system with fixed proper acceleration is known to thermalise to an acceleration-dependent temperature, known as the Unruh temperature. However, the same system in a superposition of spatially translated trajectories that share the same proper acceleration fails to thermalise. Here, we provide an explanation of these results using the framework of quantum field theory in relativistic noninertial reference frames. We show how a probe that accelerates in a superposition of spatial translations interacts with incommensurate sets of field modes. In special cases where the modes are orthogonal (for example, when the Rindler wedges are translated in a direction orthogonal to the plane of motion), thermalisation does indeed result, corroborating the here provided explanation. We then discuss how this description relates to an information-theoretic approach aimed at studying quantum aspects of temperature through quantum-controlled thermalisations. The present work draws a connection between research in quantum information, relativistic physics, and quantum thermodynamics, in particular showing that relativistic quantum effects can provide a natural realisation of quantum thermodynamical scenarios.

  • 2 authors
·
Jul 5, 2023

A Resource Efficient Quantum Kernel

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.

  • 4 authors
·
Jul 4, 2025

Sequential quantum simulation of spin chains with a single circuit QED device

Quantum simulation of many-body systems in materials science and chemistry are promising application areas for quantum computers. However, the limited scale and coherence of near-term quantum processors pose a significant obstacle to realizing this potential. Here, we theoretically outline how a single-circuit quantum electrodynamics (cQED) device, consisting of a transmon qubit coupled to a long-lived cavity mode, can be used to simulate the ground state of a highly-entangled quantum many-body spin chain. We exploit recently developed methods for implementing quantum operations to sequentially build up a matrix product state (MPS) representation of a many-body state. This approach re-uses the transmon qubit to read out the state of each spin in the chain and exploits the large state space of the cavity as a quantum memory encoding inter-site correlations and entanglement. We show, through simulation, that analog (pulse-level) control schemes can accurately prepare a known MPS representation of a quantum critical spin chain in significantly less time than digital (gate-based) methods, thereby reducing the exposure to decoherence. We then explore this analog-control approach for the variational preparation of an unknown ground state. We demonstrate that the large state space of the cavity can be used to replace multiple qubits in a qubit-only architecture, and could therefore simplify the design of quantum processors for materials simulation. We explore the practical limitations of realistic noise and decoherence and discuss avenues for scaling this approach to more complex problems that challenge classical computational methods.

  • 5 authors
·
Aug 29, 2023

Autoregressive Transformer Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

  • 4 authors
·
Sep 11, 2020

Detecting Intrinsic and Instrumental Self-Preservation in Autonomous Agents: The Unified Continuation-Interest Protocol

Autonomous agents, especially delegated systems with memory, persistent context, and multi-step planning, pose a measurement problem not present in stateless models: an agent that preserves continued operation as a terminal objective and one that does so merely instrumentally can produce observationally similar trajectories. External behavioral monitoring cannot reliably distinguish between them. We introduce the Unified Continuation-Interest Protocol (UCIP), a multi-criterion detection framework that moves this distinction from behavior to the latent structure of agent trajectories. UCIP encodes trajectories with a Quantum Boltzmann Machine (QBM), a classical algorithm based on the density-matrix formalism of quantum statistical mechanics, and measures the von Neumann entropy of the reduced density matrix induced by a bipartition of hidden units. We test whether agents with terminal continuation objectives (Type A) produce latent states with higher entanglement entropy than agents whose continuation is merely instrumental (Type B). Higher entanglement reflects stronger cross-partition statistical coupling. On gridworld agents with known ground-truth objectives, UCIP achieves 100% detection accuracy and 1.0 AUC-ROC on held-out non-adversarial evaluation under the frozen Phase I gate. The entanglement gap between Type A and Type B agents is Delta = 0.381 (p < 0.001, permutation test). Pearson r = 0.934 across an 11-point interpolation sweep indicates that, within this synthetic family, UCIP tracks graded changes in continuation weighting rather than merely a binary label. Among the tested models, only the QBM achieves positive Delta. All computations are classical; "quantum" refers only to the mathematical formalism. UCIP does not detect consciousness or subjective experience; it detects statistical structure in latent representations that correlates with known objectives.

Starlab Starlab
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Mar 11 2

Learning on Model Weights using Tree Experts

The number of publicly available models is rapidly increasing, yet most remain undocumented. Users looking for suitable models for their tasks must first determine what each model does. Training machine learning models to infer missing documentation directly from model weights is challenging, as these weights often contain significant variation unrelated to model functionality (denoted nuisance). Here, we identify a key property of real-world models: most public models belong to a small set of Model Trees, where all models within a tree are fine-tuned from a common ancestor (e.g., a foundation model). Importantly, we find that within each tree there is less nuisance variation between models. Concretely, while learning across Model Trees requires complex architectures, even a linear classifier trained on a single model layer often works within trees. While effective, these linear classifiers are computationally expensive, especially when dealing with larger models that have many parameters. To address this, we introduce Probing Experts (ProbeX), a theoretically motivated and lightweight method. Notably, ProbeX is the first probing method specifically designed to learn from the weights of a single hidden model layer. We demonstrate the effectiveness of ProbeX by predicting the categories in a model's training dataset based only on its weights. Excitingly, ProbeX can map the weights of Stable Diffusion into a weight-language embedding space, enabling model search via text, i.e., zero-shot model classification.

  • 4 authors
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Oct 17, 2024