Computer Science (arXiv)

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New papers: 2035 | Updated: Aug 23, 2026 | Next update: Aug 30, 2026
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cs.LG Aug 16, 2026 PDF
WiFi Channel State Information (CSI) has emerged as a privacy-preserving alternative to cameras for human pose estimation. However, existing approaches treat pose inference as an instantaneous regression problem and do not model temporal dynamics, making future motion prediction infeasible. Naively applying vision-based prediction methods compounds the estimation noise already present in CSI-derived poses, as autoregressive rollouts amplify errors at every step. We propose KOALA, the framework for human motion prediction directly from WiFi CSI, by lifting noisy CSI-derived pose sequences into a learned Koopman latent space where nonlinear dynamics become linear, enabling multi-horizon prediction via simple matrix-vector products without autoregressive iteration or error accumulation. A residual CSI-conditioned operator resolves the identity attractor problem inherent from Koopman formulations, and an anchor-delta prediction head eliminates the degenerate shortcut of copying the current pose across all horizons. To regularise the lifting and operator jointly, we introduce a Koopman Anchored Latent (KAL) loss that operates in the temporal-encoder feature space, enforcing dynamical consistency across prediction horizons without requiring contrastive, spectral, or auxiliary losses. Experiments on MM-Fi and WiPose show that KOALA achieves robust, consistent performance across both short- and long-term prediction horizons, outperforming all baselines by a substantial margin.
cs.CR Aug 16, 2026 PDF
We characterize the attack surface of generative search engines (GSEs) against poisoning attacks in the political domain, from the perspectives of citation selection and personalization. GSEs integrate web search and answer generation with user preferences and backgrounds using large language models (LLMs). They play a crucial role in how users access information on the web. Because anyone can publish content on the web, GSEs are vulnerable to poisoning attacks that manipulate citations to undermine reliable information delivery. Existing studies on citation evaluation focus on how faithfully answers reflect cited content. However, they leave unexamined the two critical aspects to capture the attack surface of GSEs against poisoning attacks: which publishers GSEs prefer to cite, and how personalization affects citation behavior. To fill this gap, we introduce an evaluation framework that characterizes the attack surface of GSEs against poisoning attacks. Our contributions are twofold: (1) we propose a novel metric, \emph{content-injection barrier}, which quantifies the difficulty of injecting arbitrary content onto the web with a given level of publisher authority; and (2) we reveal how personalization affects citation behavior by embedding user profiles into GSEs. We conduct experiments on three major GSEs in the political domain of the United States and Japan. Our results show that (a) the attack surface differs across GSE models; (b) the web search functionality of GSEs shapes the attack surface; (c) ruling parties have a broader attack surface than opposition parties; and (d) user profiles have little influence on the attack surface.
cs.CV Aug 16, 2026 PDF
This paper documents a frozen engineering project on personalized Chinese handwriting. The project started from approximately 200 real handwriting images from one user, covering 197 unique Chinese characters, and was initially formulated as few-shot generation of unseen characters. A sequence of canonical-centered personalization routes repeatedly exposed the same conflict: increasing structural pressure made outputs more canonical, while increasing personalization could damage identity-defining strokes. The project was therefore reset around real-human character equivalence classes. A multi-writer CASIA candidate pool showed that a USER-compatible realization often already existed among valid human samples. The task consequently changed from synthesis to character-wise matching, followed by cross-writer composition into a virtual writer. The frozen system uses real-ink features, character-specific human population percentiles, top-20 candidate pruning, and greedy hardest-first whole-row selection. On the covered target set, all 197 USER characters had real-human candidates, and the 100-character evaluation subset was covered 100/100. Knowncharacter held-out comparisons included a row judged visually almost indistinguishable from genuine USER handwriting. A 60- episode stability audit placed every episode in a predefined A-like machine-proxy region, but these were not independent human A-level judgments. The final evidence supports stable practical B-level quality, with many outputs approaching A-level under the USER-defined criterion. The report records why generation became unnecessary for this case without claiming unrestricted or universal handwriting synthesis.
cs.AI Aug 16, 2026 PDF
Runtime compression of serving state trades quality for capacity with no priced guarantee: systems adapt precision on load signals with no soundness statement, and certified approaches budget request-level risk by a union bound over a pre-declared event count. We show the union budget exhausts on every long request in a production serving stack (100% of requests), and replace it with an anytime-valid, physically accounted ledger whose bound holds at every one of 352,333 admission calls on live traffic and which, in a pre-registered held-out confirmatory round, halves the exact-fallback rate at matched risk (0.30 -> 0.14) -- coverage is bought at a price the account states. We then price the remaining distance from the certified witness to what a user experiences: a machine-checked design law (TV <= tanh(a_q w_thr)) turns the served-TV target into a threshold knob, and a three-layer audit of its instantiation -- an operator-norm query envelope measured 1.5x from tight, a measured-ellipsoid replacement for the Cauchy-Schwarz ball that buys nothing (0.89x, held-out sound), and the gate's operating point (~700x) -- localizes the entire 1064x gap to the operating point, a price the law now states rather than an unknown. A priced bound is worth nothing on a request one has not seen, so the third link is the quantifier: exchangeable extrapolation across 80 serving histories replaces binary conformal prediction's vacuous certificates with order-statistic bounds that discriminate (0.41 against 0.51 calibration risk). All probabilistic kernels are Lean 4-checked (228 exported theorems, no sorry); which object deserves this machinery at all is settled empirically in a companion paper that adjudicates -- and rejects -- the natural alternative of certifying routing. What ships is an account: risk you can spend, a gap you can read off a law, and a bound that survives the request you have not seen.
cs.LG Aug 16, 2026 PDF
Behavioral accuracy, linear decodability, and successful activation interventions do not by themselves show that a model carries an operation-level structure from one symbolic domain to another. We ask a narrower question in finite isomorphic state spaces: if the hidden-state difference between two operations is estimated separately for each source input, does adding that difference to a mapped recipient input move the model toward the corresponding recipient answer? The design compares this input-specific intervention with wrong-operation, norm-matched random, and no-op controls, and separates candidate construction from an independently isolated confirmation split. On a frozen Qwen2.5-7B-Instruct model at layers 20--21, one route--domain--operation candidate from a family pre-specified and frozen before confirmation access, transparent | integer_mod16--letters16 | successor->predecessor, passed both PyVene splits; its confirmation intersection--union p-value was 0.000198 and its 36-family Holm-adjusted p-value was 0.006943. A subsequent NNsight 0.7.0 experiment, pre-specified and frozen before its confirmation access, tested only this selected prompt route, without candidate or layer reselection. It reproduced all 12 confirmation effect estimates, confidence intervals, and exact sign-flip p-values numerically; its 36-family Holm-adjusted p-value was 0.007141. The result is therefore limited to one prompt route and one candidate, replicated across two intervention implementations on one model revision and one layer interval. It does not establish cross-model generalization, full-family backend independence, domain-general transfer, or algebraic invariance.
cs.CL Aug 16, 2026 PDF
Hallucinations remain a major obstacle to the reliable use of large language models (LLMs) in conditional text generation. Existing methods primarily assess the factuality of an entire generated text, providing limited insight into which output spans are hallucinated or how they relate to the input. We introduce the task of hallucination span detection with input-side evidence alignment, which jointly identifies hallucinated spans and aligns output tokens with the corresponding input evidence. Our approach is based on the observation that faithful output tokens are predictable from the input, whereas hallucinated tokens are not. We therefore train an encoder-based model to predict masked output tokens from the input representation, using prediction confidence for hallucination detection while naturally producing alignments to the input. Experiments show that the proposed method effectively detects hallucinated spans and identifies meaningful input-side evidence. Human evaluation confirms the quality of the predicted alignments.
cs.SE Aug 16, 2026 PDF
Fork-based development enables parallel evolution of software, but unsynchronized contributions create persistent divergence: security patches, bug fixes, and quality improvements often fail to propagate across fork families, leaving downstream users exposed to known vulnerabilities or bugs and missing massive opportunities to improve the other repositories in the family. We present the first large-scale empirical study of fork synchronization, analyzing popular GitHub fork families with 3,820 actively maintained forks, and developed a monitoring platform to mine the valuable commits and promote their swift merging. Our findings reveal a synchronization paradox: while 90% of submitted pull requests are merged, only 6.92% of fork commits ever appear in PRs, leaving massive fork development permanently unsynchronized across the families. Synchronization delay is pervasive and structurally uneven where fork propagation accounts for 72.9% of end-to-end commit lifecycle delay. Contrary to common assumptions, PR rejection is rarely caused by technical incorrectness; instead, 65% of rejections stem from superseded contributions, process violations, or maintainer policy decisions.
cs.CV Aug 16, 2026 PDF
Out-of-distribution (OOD) detection remains challenging for image classifiers, especially when near-OOD samples lie close to in-distribution (ID) class boundaries. Recent vision-language detectors improve OOD detection through class semantics, local prompting, or LLM-generated outlier concepts, but seldom use language as explicit boundary evidence between confusing ID classes. We propose Pairwise Witness Local Rejection (PWLR), which uses an MLLM offline to describe visible local cues that favor one ID class over a specific rival class. These cue phrases are then screened with ID-only data under a frozen vision-language backbone, so that only reliable local verifiers are kept. At inference, PWLR first retains a small set of globally plausible classes, then checks whether any of them is locally supported against its most relevant rivals, and finally combines this pairwise local evidence with the global class score through calibration. Experiments on ImageNet-100 far-OOD, cleaner/challenging OOD and near-OOD benchmarks show that PWLR consistently improves strong vision-language baselines across multiple backbones. Source code will be released.
cs.CL Aug 16, 2026 PDF
In this paper, we focus on the dictionary of 2048 tokens used in Mimi semantic token codebook, the neural codec of the Moshi language model. We show that the ABX experiment carried out with Mimi fails to capture the mapping of the semantic tokens to phone realisations. By realigning Mimi representations to the TIMIT corpus transcriptions, we show that the 2048 tokens IDs of the semantic codebook map to quadphone, triphone, biphone, phone and subphone realisations.
cs.LG Aug 16, 2026 PDF
Language models are compared by their held-out per-token cross-entropy risk---the quantity scaling laws are fitted to. We show that it cannot be consistently estimated. Consistency, or convergence to the estimand, is defined relative to a \emph{possible state of the world}: a pair consisting of a data-generating distribution and a model we turn out to train. Quantifying over models as well as data-generating mechanisms is essential, because what decides whether a model's risk is estimable is a tail property of the distribution its weights induce, which no sample reveals. The per-token cross-entropy risk is hard to estimate because of a topological fact: among the possible states, finite risk and infinite risk each lie arbitrarily close to every instance of the other. Consequently no estimator---not merely the holdout average---is consistent at every state at which the risk is defined. Worse, inconsistent estimation persists under both bounding the expected sequence length and restricting to full-support models; and in that restricted setting the states at which inconsistency occurs are even dense. Two interesting ways out are identified, and neither is free. Way out 1: using a bounded context window, we can floor a model's next-token probabilities, making its risk finite exactly when the data-generating distribution has finite expected sequence length---a new, statistical rationale for a choice that was made on computational grounds, though the assumption it substitutes is itself beyond the reach of any test. Way out 2: reporting the risk only when it falls below a threshold fixed in advance restores consistency, at no cost to what model selection actually requires---but we need to recognize that the goal of estimation is revised.
cs.AI Aug 16, 2026 PDF
KV-cache eviction caps the memory cost of long reasoning traces but is inherently lossy because the model decodes from a partial view of its history. Under aggressive budgets, this not only lowers accuracy but can also cause runaway degeneration, where the model produces incoherent or repetitive tokens until reaching the length limit. We characterize much of this loss as an information gapf caused by missing context, rather than a capability gap caused by limited model capacity. An evicted 7B model and a full-context 1.5B model make complementary errors, and an oracle choice between their answers recovers 79% of the accuracy gap to the full-KV 7B model. Based on this observation, we propose KV-Rescue, a training-free inference framework that bridges the information gap introduced by KV eviction using a lightweight full-context helper. KV-Rescue interleaves reasoning steps from the two models into a shared trajectory. An online detector uses entropy and compressibility to terminate the generation of incoherent or repetitive base-model candidates early. Across five math benchmarks with Qwen2.5-Math 7B and 72B, KV-Rescue recovers an average of 87% of the accuracy lost to eviction at eviction budget B=64. A decode-cost analysis further shows that preventing runaway degeneration cuts base-model token generation by 43% on average.
cs.CV Aug 16, 2026 PDF
Unsupervised 3D instance segmentation of outdoor LiDAR scans has traditionally relied on handcrafted geometric priors such as density-based clustering, motion cues, or projected 2D detections. In this work, we investigate whether a frozen, self-supervised point transformer already contains the structural information required to isolate object instances without any handcrafted geometric prior. Using this transformer purely as a feature extractor, we probe its internal representations across the SemanticKITTI, nuScenes, and Waymo Perception datasets. Our analysis yields four core insights: (1) the instance signal concentrates in the attention queries and keys rather than in the values or final output features; (2) output features semantically collapse, merging adjacent same-class objects that the queries and keys keep distinct; (3) this instance signal is bimodal in depth, strongest at the shallowest and deepest encoder stages; and (4) this signal is driven predominantly by the rotary position encoding (RoPE), whose removal collapses its advantage. We put these findings into our method TokenGraph3D, a training-free segmenter that groups points via connected components on a key-similarity graph, using neither density-based clustering nor proximity priors. Under identical prior-free conditions, we substantially outperform output-feature baselines, making the emergent 3D instance structure visible.
cs.LG Aug 16, 2026 PDF
Crevasse mapping from uncrewed aerial vehicle (UAV) imagery matters for glaciological research and for field safety in glaciated terrain. Yet, pixel-level annotation of glacier surfaces is costly and requires domain experts. We introduce CrevasseSeg, a framework for binary segmentation over the terminus of Borebreen, Svalbard, comprising 1,938 unlabelled UAV orthomosaic tiles for self-supervised/unsupervised fine-tuning, 24 labelled tiles for validation and 176 labelled tiles for testing. Using CrevasseSeg, we benchmark five self-supervised objectives -- BYOL, a Jensen-Shannon Divergence (JSD) objective, Barlow-Twins, VICReg, and a combined BYOL-JSD objective -- across three architectures: O-Net, O-Net++, and a DINOv3-initialised O-Net. Each configuration is evaluated under two frozen-feature readouts that differ only in the form of their decision boundary: a linear probe and a non-linear XGBoost classifier fit only on the 24 labelled validation images. Our central finding is a consistent inversion between the two readouts: DINOv3 features are the weakest under linear probing but the strongest under a non-linear readout. A UMAP analysis of the learned feature space shows that DINOv3 fragments pixels into many small clusters in which the classes are locally interleaved, whereas the convolutional architectures (O-Net and O-Net++) embed them onto a single class-sorted manifold. Satellite-pretrained DINOv3 improves over natural-image initialisation across objectives, and our label-efficient DINOv3-ViT-L-Sat-O-Net-BYOL-JSD pipeline reaches 75.33 mDSC / 61.28 mIoU, outperforming standard machine learning baselines fit on the same 24 labelled images with the RGB pixel values used as features. We release CrevasseSeg to support label-efficient segmentation research in remote sensing.
cs.CV Aug 16, 2026 PDF
Spatial intelligence requires foundation models to maintain coherent spatial state across interactions with the physical world. However, existing data-centric approaches typically treat spatial reasoning as independent question-answer instances, enabling shortcut-based answering and providing limited supervision for persistent spatial understanding. To address this, we introduce ChainSpace, a chained-reasoning paradigm that structures spatial reasoning as a state-preserving multi-round process. In this paradigm, spatial questions are organized into logically constrained and jointly consistent chains, where later questions depend on spatial constraints established in earlier rounds. Following this principle, we instantiate ChainSpace-Bench, a manually annotated real-world multi-round benchmark with a Chain-Aware Metric, and ChainSpace-Pipeline, a simulator-based chain-structured supervision generation framework for spatial intelligence training. Experiments show that ChainSpace-Bench exposes chain-level failures that are not captured by isolated question accuracy. Additionally, with a relatively small amount of simulator-generated chained data, models trained by ChainSpace-Pipeline achieve the best performance among open-source models on ChainSpace-Bench and transfer competitively to multiple external spatial intelligence benchmarks. These results establish ChainSpace as an effective paradigm for more faithful evaluation and more data-efficient learning of spatial intelligence.
cs.LG Aug 16, 2026 PDF
Two Mixture-of-Experts (MoE) forward passes can share every weight yet route the same token through different experts. This creates a possible blind spot in same-weight self-distillation, where a demonstration-conditioned teacher supervises a query-only student. We study this mismatch in its single-step form, with frozen weights rather than as a proxy for a full training trajectory. An exact blockwise decomposition separates a routing term, which changes gates at fixed content, from a dense-like content term. Across seven open-weight checkpoints and two domains, the routing term spans only $1.6\times$ as a fraction of block output, while its residual-stream exposure spans $3.2\times$. Exposure is ordered by the routed block's share of the residual. Scaling the always-on backbone in two confirmatory models moves exposure monotonically; common-mode controls support a mass-and-coherence mechanism rather than denominator dilution alone. Preregistered PubMedQA patches on three models show that the full routing term moves outputs by less than half the natural context effect and is largely reproduced by matched-norm noise, whereas the content term is strongly direction-specific. Scale and merged-expert probes show that the narrow block-level range is not universal, although exposure remains small at the tested boundaries. Router movement alone is therefore not evidence of behavioral influence: measure exposure first, and use a behavioral intervention when the decision matters.
cs.CV Aug 16, 2026 PDF
3D Gaussian Splatting (3DGS) enables real-time novel-view synthesis but remains limited on GPUs at high resolutions. Through a stage-wise Roofline characterization, we identify two distinct hardware bottlenecks: global memory traffic dominates the front end, whereas instruction throughput limits rasterization. Guided by this analysis, we develop RoofGS, a rendering framework that applies bottleneck-specific optimizations rather than generic kernel acceleration. For the memory-bound front end, we design a resolution-adaptive quantized depth sorting key that compresses each key to 32 bits. For the compute-bound rasterizer, we introduce a range-aware bit-level fast exponential approximation tailored to the bounded exponent range after opacity culling, with a derived per-pixel error bound. These two core techniques are complemented by additional optimizations (kernel fusion, compact attribute storage, culling, dual-pixel evaluation) that additionally reduce memory traffic and improve instruction-level parallelism. Experiments show that RoofGS achieves a 10.1$\times$ end-to-end speedup over 3DGS at 4K on an RTX 4090, increasing throughput from 61 to 616 FPS, with only a 0.028 dB PSNR loss.
cs.RO Aug 16, 2026 PDF
Soft piezoresistive strain sensors are one of the most common sensing solutions for wearable and soft robotic applications due to their flexibility and compliance. However, their resistance response is nonlinear and hysteretic, and a sensor can be pushed past its calibrated workspace or misbehave inside it, carrying that error into a decision or control loop. Probabilistic regressors track confidence but ignore those limits. A predictive mean can look unremarkable even when the reading comes from a sensor outside its admissible range or already failing internally, so a confident-looking estimate is not the same as a trustworthy one. This paper proposes a reliability framework pairing a physics-informed probabilistic inverse model, built on physics-guided input features, with a risk factor fusing uncertainty with strain and strain-rate limits into a three-state monitor. Tests on a Nitinol wire and a silver-coated polyamide thread with a Gaussian Process raised fit scores to 0.90-0.95 (RMSE 0.26%-0.15%) and a 96% empirical coverage against the 95% target. The monitor caught 95% of out-of-range and 100% of abnormal conditions while staying reliable under nominal operation. A sensor that reports confidence alongside its estimate lets a system withhold action instead, since it needs no labeled failure examples, which are hard to collect for soft materials.
cs.LG Aug 16, 2026 PDF
In transfer-learning settings, a model derived from abundant surrogate labels may be deployed in a target population where gold-standard outcomes are unobserved. Evaluating its target performance is essential for determining whether decisions based on the model remain reliable, yet it is difficult when gold labels are scarce, and covariate distributions differ across data sources. We study a three-sample setting with a small gold-labeled source, a larger surrogate-labeled source, and an unlabeled target. Under conditional transportability, we evaluate the surrogate-derived model against the latent gold-standard outcome in the target population. We propose cross-fitted estimators that transport information from the two labeled sources through source-specific density ratios. We also combine outcome-regression augmentation with a kernel correction for estimating the model near a threshold, accounting for uncertainty from all three samples. We establish asymptotically linear inference for TPR and FPR, consistency and pointwise inference for the ROC curve, and asymptotically normal inference for AUC. Simulations assess bias, coverage, and sensitivity to bandwidth and relative sample sizes. A retrospective temporal validation on Chatbot Arena and a semi-synthetic ACS-Income study provide validation in real-world AI applications.
cs.IR Aug 16, 2026 PDF
Stale recommendations are a pervasive challenge and a leading source of user complaints on large-scale content platforms. Items lose relevance through two primary mechanisms: supersession, where emerging updates render prior coverage stale, and relevance decay, where an item's informational value naturally diminishes over its lifecycle. Traditional countermeasures serve as crude proxies: age cutoffs poorly reflect actual relevance loss, while engagement heuristics rely on lagging signals, broadly exposing users to stale content before the system adapts. We present SDF (Supersession-Decay Filtering), a staleness filtering system fully deployed in Google Discover, a personalized recommendation feed with hundreds of millions of daily and billions of monthly active users. SDF targets both mechanisms with complementary filters, each powered by a learned model: a relational staleness model that detects supersession between item pairs, and a predicted traffic ratio (PTR) model that forecasts relevance decay from the item's content, trained on lifetime visit traffic. Applied via disjunction upstream of the ranking stage, SDF prunes stale candidates, measurably reducing downstream serving costs. Online experiments demonstrate that these filters significantly reduce the prevalence of stale content while improving user engagement. Over a two-year production deployment, user-filed staleness reports (in-product user feedback) declined by 54.9% relative to the pre-deployment baseline, establishing SDF as a robust and scalable paradigm for resolving content staleness at industrial scale.
cs.CG Aug 16, 2026 PDF
We consider the problem of graphically local metric embedding, i.e. embedding points from an arbitrary finite metric space into a target metric space while preserving, up to a small distortion, only a subset of the pairwise distances specified by a bounded degree graph $G$. We provide a general reduction showing that, in many cases, this is no easier than embedding the points while approximately preserving all pairwise distances. As an illustration of our general reduction, we show that there exists a Euclidean metric space $X$ on $n$ points along with a graph $G = (X,E)$ of maximum degree $3$ such that any embedding of $X$ into $\ell_2^m$ which only preserves distances specified by $E$ up to a relative error of $(1+\varepsilon)$ must satisfy $m = Ω(\varepsilon^{-2}\log n)$. Our lower bound matches the upper bound on the dimension coming from the Johnson-Lindenstrauss lemma for approximately preserving all pairwise distances; previously, such a lower bound was known only for the class of noncontracting embeddings [Schechtman-Shraibman, Discrete & Computational Geometry, 2009]. Moreover, the condition that the maximum degree of the graph is $3$ is best possible: for graphs $G$ of maximum degree $2$ (or more generally, treewidth at most $2$), any metric space embeds $G$-isometrically into any two-dimensional normed space.
cs.CR Aug 16, 2026 PDF
Optimized Local Hashing (OLH) is a widely used hash-based Local Differential Privacy (LDP) protocol, and simulation-based experimentation is the standard approach for evaluating OLH and OLH-based applications in research. However, the existing OLH simulations have $O(nd)$ computational complexity, where $n$ is the user population size and $d$ is the domain size, and can lead to significant execution times as $n$ and $d$ grow. In this paper, we propose two fast simulation algorithms for OLH (2-Binom and 3-Binom) grounded in Binomial modeling. Our key insight is that, for any domain value $v$, the total number of users whose perturbed reports support $v$ can be decomposed into a sum of two or three Binomial random variables. Using this insight, our algorithms reduce the simulation complexity to $O(n + d)$ without hurting statistical equivalence. In particular, we theoretically prove that both algorithms yield unbiased frequency estimations with variances identical to those of the original OLH simulations. Experiments on real-world datasets confirm that both approaches reduce execution times from several minutes to milliseconds, yielding significant speedups with no change in utility.
cs.AI Aug 16, 2026 PDF
Despite the powerful multi-scale modeling methods and high-throughput infrastructures established in the materials community, real material computation workflows remain fragmented and heavily manual, requiring researchers to constantly bridge software tools, data analysis, and intermediate decisions. This growing gap between methodological capability and practical execution highlights the need for a new kind of autonomous computational framework, one that can coordinate tools, knowledge, and workflows in a more unified and adaptive way. Here, we introduce ALKEMIE Agent, an agentic platform in which retrieval-augmented generation, a materials-computation knowledge base, registered skills, database-supported provenance, AI-assisted structure modeling, bounded task execution, tool-calling iteration, and error-diagnostic assistance are integrated within a traceable control loop. The capabilities of ALKEMIE Agent are demonstrated through applications including materials recommendation, structure modeling, phonon calculations, machine-learned interatomic potential training, LAMMPS simulations, Ab Initio Monte Carlo (AIMC) sampling, and active-learning-based materials screening. Finally, we outline the future directions and challenges for the development of agentic platforms for computational materials design.
cs.AI Aug 16, 2026 PDF
When a language model refuses to answer a prompt, it is unclear whether the correct answer is erased from its internal representations, or merely suppressed at the output layer. We investigate this mechanism using a controlled withhold setting, which yields perfectly matched answering and refusal trajectories for bidirectional activation patching. We uncover a causal asymmetry in intervention locality under matched causal interventions, which we term broken symmetry. Even when a model generates a clean refusal, the correct answer remains linearly recoverable from its hidden states. Furthermore, releasing this withheld answer is a highly local operation, requiring only a single-position patch. Conversely, the reverse operation is not equally local: reimposing suppression requires broader interventions across multiple positions, and assembling a coherent refusal sequence is more difficult still. We further demonstrate that while an average answer-to-refusal displacement vector marks the geometric difference between these states, it fails to act as a reliable, reversible linear control toggle between behaviours. Taken together, our findings show that refusal does not function as a simple symmetric switch. For safety and auditing, this implies that probe recoverability can overestimate true behavioural control, and locating refusal-relevant directions does not reliably grant the ability to steer a model from answering to coherent refusal.
cs.LG Aug 16, 2026 PDF
Designing effective trading strategies using reinforcement learning remains challenging due to delayed and noisy rewards, poor exploration, and the difficulty of enforcing explicit risk constraints. In this work, we propose BRaG, a barycenter-based adversarial inverse reinforcement learning framework for stock trading that learns trading behavior from multiple heterogeneous expert strategies. BRaG aggregates expert demonstrations using a performance-weighted Wasserstein barycenter, yielding a stable pseudo-expert representation that captures shared structure across diverse trading styles. This representation is used to pretrain a trading policy via adversarial imitation learning, which alleviates unstable exploration during reinforcement learning. The pretrained policy is subsequently refined using reinforcement learning with true market rewards. To ensure risk-aware decision-making, BRaG incorporates control barrier functions that constrain action execution and regularize policy learning to satisfy drawdown limits. We evaluate the proposed approach on four major global equity markets, including the US, UK, Indian, and Taiwanese indices. Across all the markets, the proposed approach achieves stronger performance than both classical trading rules and recent deep reinforcement learning methods, while exhibiting more stable risk characteristics.
cs.LG Aug 16, 2026 PDF
Conformal prediction (CP) provides distribution-free coverage guarantees and has emerged as a principled tool for uncertainty quantification. In edge-level fraud detection on temporal interaction graphs, where false positives and false negatives both carry substantial cost, such coverage guarantees are particularly appealing for risk-aware decision making. However, directly applying existing graph conformal predictors yields inefficient prediction sets due to two recurring properties of fraud data. Fraudulent interactions are often embedded in benign-dominated neighborhoods that dilute calibration signals, while extreme class imbalance leaves scarce labeled-fraud support in the calibration split and leads to overly conservative class-conditional thresholds. To address these issues, we propose ProtoCP, a conformal prediction framework for edge-level fraud detection on temporal graphs. ProtoCP improves calibration efficiency by focusing calibration on fraud-relevant subgraph context and producing more stable nonconformity scores under class imbalance and temporal drift. Specifically, it leverages learned prototypes to suppress benign-dominated noise in the calibration context and introduces a neighborhood-relative scoring mechanism with temporal score diffusion for stable class-conditional calibration. Experiments on four fraud benchmarks (YelpChi, S-FFSD, FTFD, and BankSim) show that ProtoCP achieves the target coverage with consistently smaller prediction sets than state-of-the-art baselines. Our codes are available at https://github.com/Picard1701ent/ProtoCP.git